smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1c(Cl)cc(CN[C@@H](C)C=C)cc1OC ZINC000623445626 1117858232 /nfs/dbraw/zinc/85/82/32/1117858232.db2.gz YPNWZVDHXMWXLA-NSHDSACASA-N 0 3 281.783 3.578 20 30 CHEDHN C=CCC[C@H](C)N[C@H](COCC(C)C)c1ccco1 ZINC000184199509 1118052701 /nfs/dbraw/zinc/05/27/01/1118052701.db2.gz JLFYLUNAJMTOOA-LSDHHAIUSA-N 0 3 265.397 3.938 20 30 CHEDHN CC(C)N(CCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000077272484 1119191455 /nfs/dbraw/zinc/19/14/55/1119191455.db2.gz HXJXSTPNXRYQPR-UHFFFAOYSA-N 0 3 270.298 3.721 20 30 CHEDHN C=CCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000613460465 1119930022 /nfs/dbraw/zinc/93/00/22/1119930022.db2.gz JTOJRAGNEYIXNR-UHFFFAOYSA-N 0 3 255.283 3.856 20 30 CHEDHN CN(Cc1ccc(Cl)cc1C#N)C[C@H]1CC=CCC1 ZINC000481059780 1120259866 /nfs/dbraw/zinc/25/98/66/1120259866.db2.gz MFXRSRDEAAWDJQ-ZDUSSCGKSA-N 0 3 274.795 4.000 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000343863924 1120553810 /nfs/dbraw/zinc/55/38/10/1120553810.db2.gz JPYCXCIOXQJQDQ-OAHLLOKOSA-N 0 3 274.364 4.000 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C(C)C)s1 ZINC000657905100 1120639205 /nfs/dbraw/zinc/63/92/05/1120639205.db2.gz XRJMBTDGCRMMEC-OLZOCXBDSA-N 0 3 279.453 3.886 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000708719209 1121466408 /nfs/dbraw/zinc/46/64/08/1121466408.db2.gz KNUIBIOQCXQQNE-CQSZACIVSA-N 0 3 282.309 3.641 20 30 CHEDHN C=CCCCN(CC)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC001176798568 1121697396 /nfs/dbraw/zinc/69/73/96/1121697396.db2.gz SSNYWNMSLTZQSI-UHFFFAOYSA-N 0 3 298.789 3.706 20 30 CHEDHN C=CCCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427000976 1122933245 /nfs/dbraw/zinc/93/32/45/1122933245.db2.gz QPMZJAOUGRNYET-UHFFFAOYSA-N 0 3 281.321 3.955 20 30 CHEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CCCC2(F)F)c1 ZINC000895544510 1123489955 /nfs/dbraw/zinc/48/99/55/1123489955.db2.gz KIPFPSABCAXZCN-GFCCVEGCSA-N 0 3 299.752 3.522 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)s1 ZINC000865831897 1124018332 /nfs/dbraw/zinc/01/83/32/1124018332.db2.gz CDDMMTIAWKEVKW-VXGBXAGGSA-N 0 3 286.322 3.606 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](COCC(C)C)c1ccco1 ZINC000878408345 1125149785 /nfs/dbraw/zinc/14/97/85/1125149785.db2.gz RJTPOAIQNLFTGA-KGLIPLIRSA-N 0 3 251.370 3.548 20 30 CHEDHN CCCCCCCN(C)Cc1cnc(OC)c(F)c1 ZINC001144463456 1131640634 /nfs/dbraw/zinc/64/06/34/1131640634.db2.gz QWOBDBOPDNSTNM-UHFFFAOYSA-N 0 3 268.376 3.632 20 30 CHEDHN C=CCCCCN(C)Cc1cnc2ccc(Cl)cn12 ZINC001140432591 1131735352 /nfs/dbraw/zinc/73/53/52/1131735352.db2.gz OKMDKWWMUIHWLZ-UHFFFAOYSA-N 0 3 277.799 3.776 20 30 CHEDHN C#CC1(N[C@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172880783 1132355837 /nfs/dbraw/zinc/35/58/37/1132355837.db2.gz VBUULCFRDXCUAU-LLVKDONJSA-N 0 3 265.809 3.576 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC(F)(F)C(C)(C)C1 ZINC001233080483 1132569607 /nfs/dbraw/zinc/56/96/07/1132569607.db2.gz NCNPIPWGGRFELE-UHFFFAOYSA-N 0 3 278.346 3.734 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CCCCC2(F)F)c(F)c1 ZINC000295084106 1125539487 /nfs/dbraw/zinc/53/94/87/1125539487.db2.gz IQASTCKKCPLMOL-CYBMUJFWSA-N 0 3 282.309 3.612 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc2cc(C)ccc2n1 ZINC001137216978 1125599694 /nfs/dbraw/zinc/59/96/94/1125599694.db2.gz DXQOVICRPWLLEL-UHFFFAOYSA-N 0 3 254.377 3.941 20 30 CHEDHN Cc1cccc(O[C@H](C)CNCc2ccc(C#N)cc2F)c1 ZINC000533446400 1125607897 /nfs/dbraw/zinc/60/78/97/1125607897.db2.gz VJAZDCVWEHCUEZ-CQSZACIVSA-N 0 3 298.361 3.563 20 30 CHEDHN CSc1ccc(CNCc2ccsc2C)cc1C#N ZINC000886277244 1125665395 /nfs/dbraw/zinc/66/53/95/1125665395.db2.gz LBFPYFXOLLGFOU-UHFFFAOYSA-N 0 3 288.441 3.940 20 30 CHEDHN C#CC[C@H]1CCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000886358360 1125672784 /nfs/dbraw/zinc/67/27/84/1125672784.db2.gz TYCVIIQRPDYOQT-GJZGRUSLSA-N 0 3 280.371 3.748 20 30 CHEDHN C=CCC1(O)CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000886759764 1125714158 /nfs/dbraw/zinc/71/41/58/1125714158.db2.gz OYVNXDROUXADFA-CYBMUJFWSA-N 0 3 279.811 3.804 20 30 CHEDHN CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000174061905 1126765767 /nfs/dbraw/zinc/76/57/67/1126765767.db2.gz FUFFAFOFLWPWRR-ZDUSSCGKSA-N 0 3 298.361 3.947 20 30 CHEDHN CCN(Cc1ccc(Cl)cc1C#N)CC1CCC1 ZINC000483129380 1126769157 /nfs/dbraw/zinc/76/91/57/1126769157.db2.gz SFNQXHAETPFOTG-UHFFFAOYSA-N 0 3 262.784 3.834 20 30 CHEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128801217 1126774098 /nfs/dbraw/zinc/77/40/98/1126774098.db2.gz OUESDPYMUJJFEL-IUODEOHRSA-N 0 3 294.354 3.533 20 30 CHEDHN COC1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCCC1 ZINC000483262993 1126775848 /nfs/dbraw/zinc/77/58/48/1126775848.db2.gz BUYCCBRBFIVIGU-QZTJIDSGSA-N 0 3 298.430 3.717 20 30 CHEDHN COC1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCCC1 ZINC000483262992 1126776324 /nfs/dbraw/zinc/77/63/24/1126776324.db2.gz BUYCCBRBFIVIGU-MSOLQXFVSA-N 0 3 298.430 3.717 20 30 CHEDHN CC(C)[C@@H](CC(F)(F)F)NCC#Cc1ccccc1 ZINC000484006044 1126807448 /nfs/dbraw/zinc/80/74/48/1126807448.db2.gz CGVVGMODKVIRRD-CQSZACIVSA-N 0 3 269.310 3.605 20 30 CHEDHN C[C@@H](NCCCSCC#N)c1c(F)cccc1Cl ZINC000181762548 1126860811 /nfs/dbraw/zinc/86/08/11/1126860811.db2.gz RQHVFKVKBCXIIN-SNVBAGLBSA-N 0 3 286.803 3.777 20 30 CHEDHN N#CCCNC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000568739644 1126871027 /nfs/dbraw/zinc/87/10/27/1126871027.db2.gz RDSDTUQGBCKWKP-QGZVFWFLSA-N 0 3 289.382 3.803 20 30 CHEDHN C#C[C@H](NC1CCC2(CC2)CC1)c1ccc(F)cc1 ZINC000812794161 1130718017 /nfs/dbraw/zinc/71/80/17/1130718017.db2.gz SRXPGIXPPROZJJ-INIZCTEOSA-N 0 3 257.352 3.812 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000185763007 1126903356 /nfs/dbraw/zinc/90/33/56/1126903356.db2.gz RLZJZTULXVIDPY-WCQYABFASA-N 0 3 298.308 3.757 20 30 CHEDHN C=CCC[C@H](N[C@@H](C)c1ccnn1C)c1ccccc1 ZINC000193034320 1126965651 /nfs/dbraw/zinc/96/56/51/1126965651.db2.gz OZMJLRXJZIVAHZ-HOCLYGCPSA-N 0 3 269.392 3.778 20 30 CHEDHN COCc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000038010522 1126969468 /nfs/dbraw/zinc/96/94/68/1126969468.db2.gz IHSVKDHNSAXXKM-CQSZACIVSA-N 0 3 280.371 3.555 20 30 CHEDHN Cc1cc(CN(C)CCOc2ccccc2F)ccc1C#N ZINC000486811785 1127004025 /nfs/dbraw/zinc/00/40/25/1127004025.db2.gz MVFMNUQUKYHZCE-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN N#Cc1ccc(CN(Cc2ccccc2)C2CC2)cc1 ZINC000043643049 1127005587 /nfs/dbraw/zinc/00/55/87/1127005587.db2.gz XYTVDFJAUKLOKY-UHFFFAOYSA-N 0 3 262.356 3.723 20 30 CHEDHN CC1CCC(N(C)Cc2cc(C#N)ccc2F)CC1 ZINC000042316481 1127037739 /nfs/dbraw/zinc/03/77/39/1127037739.db2.gz XFHWBNPKXXDEST-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN CCSc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000349656119 1127156425 /nfs/dbraw/zinc/15/64/25/1127156425.db2.gz OUWQJYDHETVKAA-UHFFFAOYSA-N 0 3 282.412 3.960 20 30 CHEDHN C=CC[C@H](CO)N[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000349757045 1127159271 /nfs/dbraw/zinc/15/92/71/1127159271.db2.gz JTUZWFCCKAJWLR-YPMHNXCESA-N 0 3 286.202 3.507 20 30 CHEDHN C=CCC[C@H](O)CN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000351614609 1127198203 /nfs/dbraw/zinc/19/82/03/1127198203.db2.gz HZRDSUFPYRAEEW-QRTARXTBSA-N 0 3 289.419 3.695 20 30 CHEDHN C=CCC[C@H](O)CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000351614608 1127198656 /nfs/dbraw/zinc/19/86/56/1127198656.db2.gz HZRDSUFPYRAEEW-KMFMINBZSA-N 0 3 289.419 3.695 20 30 CHEDHN C=C(C)CCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000351815780 1127209841 /nfs/dbraw/zinc/20/98/41/1127209841.db2.gz NUDAZPXMOZCZCH-LLVKDONJSA-N 0 3 250.411 3.639 20 30 CHEDHN C=CCC[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccco1 ZINC000286152251 1127260801 /nfs/dbraw/zinc/26/08/01/1127260801.db2.gz OXOWSPQCWNBROD-GJZGRUSLSA-N 0 3 291.391 3.562 20 30 CHEDHN C[C@H](c1nc2ccccc2s1)N(C)CCCCC#N ZINC000057620423 1127268343 /nfs/dbraw/zinc/26/83/43/1127268343.db2.gz RBTSSSLHRASAPN-GFCCVEGCSA-N 0 3 273.405 3.983 20 30 CHEDHN CN(Cc1cn2ccccc2c1C#N)C1CCCCCC1 ZINC000590829196 1127275823 /nfs/dbraw/zinc/27/58/23/1127275823.db2.gz IJCASYPJARVSCD-UHFFFAOYSA-N 0 3 281.403 3.966 20 30 CHEDHN Cc1ncsc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353913179 1127278058 /nfs/dbraw/zinc/27/80/58/1127278058.db2.gz HKHOWLFHBJQYAF-OAHLLOKOSA-N 0 3 285.416 3.976 20 30 CHEDHN C#CCCN(Cc1ccc(F)cc1F)C1CCCC1 ZINC000760856891 1127312496 /nfs/dbraw/zinc/31/24/96/1127312496.db2.gz SCLQQXDMZCNUCR-UHFFFAOYSA-N 0 3 263.331 3.733 20 30 CHEDHN Cc1ccccc1C1(NCc2cccc(C#N)c2)CC1 ZINC000592138274 1127337775 /nfs/dbraw/zinc/33/77/75/1127337775.db2.gz XMGCKWWOWCJJLB-UHFFFAOYSA-N 0 3 262.356 3.646 20 30 CHEDHN C=CCC[C@@H](NCc1cncc(OC)c1)c1ccccc1 ZINC000290131769 1127387228 /nfs/dbraw/zinc/38/72/28/1127387228.db2.gz ZNFXHAMMIZLGIB-GOSISDBHSA-N 0 3 282.387 3.887 20 30 CHEDHN CC[C@H]1CC[C@H](C)N1Cc1cn2ccccc2c1C#N ZINC000357525667 1127391039 /nfs/dbraw/zinc/39/10/39/1127391039.db2.gz FIXKRTPDRPEDQI-ZFWWWQNUSA-N 0 3 267.376 3.574 20 30 CHEDHN CC[C@@H]1CC[C@H](C)N1Cc1cn2ccccc2c1C#N ZINC000357525662 1127391687 /nfs/dbraw/zinc/39/16/87/1127391687.db2.gz FIXKRTPDRPEDQI-DZGCQCFKSA-N 0 3 267.376 3.574 20 30 CHEDHN CC[C@@H](CC#N)NCCCc1ccc(Cl)cc1 ZINC000594009367 1127407273 /nfs/dbraw/zinc/40/72/73/1127407273.db2.gz FYNAXKFIGXTNSN-AWEZNQCLSA-N 0 3 250.773 3.554 20 30 CHEDHN COc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594494310 1127418377 /nfs/dbraw/zinc/41/83/77/1127418377.db2.gz XYMZXBQSZFREIU-UHFFFAOYSA-N 0 3 294.398 3.786 20 30 CHEDHN N#CC1(CNC2CCN(c3ccccc3)CC2)CCCCC1 ZINC000594981025 1127442909 /nfs/dbraw/zinc/44/29/09/1127442909.db2.gz FMAKIXRITXDWQZ-UHFFFAOYSA-N 0 3 297.446 3.719 20 30 CHEDHN N#CC1(CN[C@@H]2CCc3ccccc3C2)CCCCC1 ZINC000594993763 1127444210 /nfs/dbraw/zinc/44/42/10/1127444210.db2.gz GMPPFIGRXBIEHH-QGZVFWFLSA-N 0 3 268.404 3.608 20 30 CHEDHN C=CCCSCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000595058270 1127446851 /nfs/dbraw/zinc/44/68/51/1127446851.db2.gz GCFMUVCROKZUSJ-HNNXBMFYSA-N 0 3 293.480 3.930 20 30 CHEDHN COC1([C@@H](C)NCC2(C#N)CCCCC2)CCCCC1 ZINC000595090066 1127454226 /nfs/dbraw/zinc/45/42/26/1127454226.db2.gz CAZQCYFJDRUWGO-OAHLLOKOSA-N 0 3 278.440 3.788 20 30 CHEDHN CC[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000595092457 1127454587 /nfs/dbraw/zinc/45/45/87/1127454587.db2.gz VUVHJAHMVIBGBV-RTBURBONSA-N 0 3 292.382 3.992 20 30 CHEDHN N#CC1(CNC2CC(c3ccccc3)C2)CCCCC1 ZINC000595091014 1127454951 /nfs/dbraw/zinc/45/49/51/1127454951.db2.gz LYGHZFWJWHUECA-UHFFFAOYSA-N 0 3 268.404 3.996 20 30 CHEDHN N#Cc1ccc(CCN2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000595702171 1127472862 /nfs/dbraw/zinc/47/28/62/1127472862.db2.gz HGSRUELNVLTRIS-SFHVURJKSA-N 0 3 280.346 3.687 20 30 CHEDHN CN(CC1=CCSC1)Cc1ccccc1C(C)(C)C#N ZINC000595889828 1127479995 /nfs/dbraw/zinc/47/99/95/1127479995.db2.gz XHQWNPOPKBJFBC-UHFFFAOYSA-N 0 3 286.444 3.593 20 30 CHEDHN C[C@@]1(C#N)CCN(CC2CCC(C(F)(F)F)CC2)C1 ZINC000595844053 1127477958 /nfs/dbraw/zinc/47/79/58/1127477958.db2.gz PRBNZZOYMXMNKG-BPCQOVAHSA-N 0 3 274.330 3.591 20 30 CHEDHN CN(C)Cc1ccccc1NC(=O)CC1(C#N)CCCCC1 ZINC000596786489 1127517812 /nfs/dbraw/zinc/51/78/12/1127517812.db2.gz XQZSMEBKHHDPDQ-UHFFFAOYSA-N 0 3 299.418 3.551 20 30 CHEDHN CC[C@@H](Cc1ccc(Br)cc1)NC[C@H](C)C#N ZINC000597082265 1127527273 /nfs/dbraw/zinc/52/72/73/1127527273.db2.gz IATLOUDKZPALIG-RISCZKNCSA-N 0 3 295.224 3.519 20 30 CHEDHN CC(C)COc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000597175864 1127532166 /nfs/dbraw/zinc/53/21/66/1127532166.db2.gz FJPBCQDZPGBSOP-INIZCTEOSA-N 0 3 286.419 3.847 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2coc3ccccc23)C1 ZINC000597177045 1127532630 /nfs/dbraw/zinc/53/26/30/1127532630.db2.gz MFXOPZOFADHRLI-ZDUSSCGKSA-N 0 3 254.333 3.558 20 30 CHEDHN C[C@@]1(c2ccccc2)CC[C@H](N2CC[C@](C)(C#N)C2)C1 ZINC000597229958 1127534611 /nfs/dbraw/zinc/53/46/11/1127534611.db2.gz CXQXNNJXXRJXAD-RCCFBDPRSA-N 0 3 268.404 3.732 20 30 CHEDHN CC(C)[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1F ZINC000601964779 1127555092 /nfs/dbraw/zinc/55/50/92/1127555092.db2.gz UKGGPSJRTZRRBN-OAHLLOKOSA-N 0 3 278.346 3.945 20 30 CHEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCCC(F)(F)C1 ZINC000602017503 1127558126 /nfs/dbraw/zinc/55/81/26/1127558126.db2.gz RUNKLSVHGPXCEB-LLVKDONJSA-N 0 3 282.309 3.612 20 30 CHEDHN CO[C@@]1(C)CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000361410904 1127561627 /nfs/dbraw/zinc/56/16/27/1127561627.db2.gz SLMLCPSYHUSMDR-INIZCTEOSA-N 0 3 292.810 3.603 20 30 CHEDHN CN(Cc1cc(F)ccc1C#N)[C@H]1CCC(C)(C)C1 ZINC000361470353 1127565671 /nfs/dbraw/zinc/56/56/71/1127565671.db2.gz RPOYEOSKNKOSCU-HNNXBMFYSA-N 0 3 260.356 3.708 20 30 CHEDHN CN(Cc1cccc(C#N)c1F)[C@H]1CCC(C)(C)C1 ZINC000361470441 1127565734 /nfs/dbraw/zinc/56/57/34/1127565734.db2.gz SNWJOEDSVLOIMG-AWEZNQCLSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@@H](CCC#N)CN(C)Cc1nc2ccccc2s1 ZINC000602433653 1127578675 /nfs/dbraw/zinc/57/86/75/1127578675.db2.gz AAHVDVOPDZUZIJ-LBPRGKRZSA-N 0 3 273.405 3.668 20 30 CHEDHN CC[C@H](C)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000602534815 1127592097 /nfs/dbraw/zinc/59/20/97/1127592097.db2.gz ROFBWHHHWYHIGC-XJKSGUPXSA-N 0 3 287.407 3.550 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000602710072 1127607815 /nfs/dbraw/zinc/60/78/15/1127607815.db2.gz XAXJMTPPEOGBAS-AWEZNQCLSA-N 0 3 296.336 3.917 20 30 CHEDHN COc1ccc([C@@H]2CCCN2CC2(CC#N)CC2)cc1 ZINC000602761207 1127611654 /nfs/dbraw/zinc/61/16/54/1127611654.db2.gz VLZLUABPFITGMP-INIZCTEOSA-N 0 3 270.376 3.526 20 30 CHEDHN CN(Cc1cccc(C(F)(F)F)c1)CC1(CC#N)CC1 ZINC000602765443 1127611695 /nfs/dbraw/zinc/61/16/95/1127611695.db2.gz LRZIPDVAOSKFLD-UHFFFAOYSA-N 0 3 282.309 3.831 20 30 CHEDHN CCC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)OCC ZINC000599059692 1127653906 /nfs/dbraw/zinc/65/39/06/1127653906.db2.gz JXWPGYPESXTTNE-TZMCWYRMSA-N 0 3 278.371 3.553 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599060797 1127654274 /nfs/dbraw/zinc/65/42/74/1127654274.db2.gz ZHVTUQBKYSGSML-XQQFMLRXSA-N 0 3 278.346 3.842 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)cc1 ZINC000599351497 1127669181 /nfs/dbraw/zinc/66/91/81/1127669181.db2.gz YZUSNKHVKFHQDU-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN COc1cccc(CN(C)Cc2ccc(C)c(C#N)c2)c1 ZINC000599260238 1127664943 /nfs/dbraw/zinc/66/49/43/1127664943.db2.gz XIHCQHCCZOOHJN-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN Cc1ccc(CN2CCC([C@H]3CCCCO3)CC2)cc1C#N ZINC000599469279 1127673251 /nfs/dbraw/zinc/67/32/51/1127673251.db2.gz UNLBXVOTJRDVDM-LJQANCHMSA-N 0 3 298.430 3.648 20 30 CHEDHN C#CC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000297031671 1127688129 /nfs/dbraw/zinc/68/81/29/1127688129.db2.gz UUYNECAZRLWJOG-SJORKVTESA-N 0 3 277.367 3.734 20 30 CHEDHN N#CCCCN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007553319 1127698339 /nfs/dbraw/zinc/69/83/39/1127698339.db2.gz LRJMQNPUJMKBCV-ZDUSSCGKSA-N 0 3 285.416 3.779 20 30 CHEDHN C#C[C@@H](CC)NCc1ccc(Br)c(Cl)c1 ZINC000229895659 1127713960 /nfs/dbraw/zinc/71/39/60/1127713960.db2.gz OIOYQXMOROKAOI-JTQLQIEISA-N 0 3 286.600 3.604 20 30 CHEDHN C#CCSCCNCc1c(Cl)oc2ccccc21 ZINC000230347376 1127751530 /nfs/dbraw/zinc/75/15/30/1127751530.db2.gz JDRLXFXTDLRTPG-UHFFFAOYSA-N 0 3 279.792 3.542 20 30 CHEDHN C=CCCCN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000606432532 1127761499 /nfs/dbraw/zinc/76/14/99/1127761499.db2.gz IRUVHSDYZOUMRX-QGZVFWFLSA-N 0 3 287.382 3.547 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC=C(c2ccccn2)C1 ZINC000593995348 1127766033 /nfs/dbraw/zinc/76/60/33/1127766033.db2.gz XMHUMCOLKXUAAR-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN C=CCCCN(C)Cc1ccc(-c2ncco2)cc1F ZINC000411292428 1127851326 /nfs/dbraw/zinc/85/13/26/1127851326.db2.gz MIPKKIMUWZDUGB-UHFFFAOYSA-N 0 3 274.339 3.879 20 30 CHEDHN CC(C)C[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000307773322 1127901624 /nfs/dbraw/zinc/90/16/24/1127901624.db2.gz JPWJSYBYJHVHQJ-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@H]1CO[C@@H](c2ccccc2)CN1CC1CCC(C#N)CC1 ZINC000929487108 1127910748 /nfs/dbraw/zinc/91/07/48/1127910748.db2.gz DQFVXWNZNWIPGL-BOMAWHNGSA-N 0 3 298.430 3.778 20 30 CHEDHN Cc1sccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594969407 1127936833 /nfs/dbraw/zinc/93/68/33/1127936833.db2.gz QKEPYDKANGQRFX-UHFFFAOYSA-N 0 3 270.401 3.953 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@H]2CCCC[C@@H]12 ZINC000543907480 1127952121 /nfs/dbraw/zinc/95/21/21/1127952121.db2.gz QKPUNAQQQMBSRZ-DQYPLSBCSA-N 0 3 272.367 3.708 20 30 CHEDHN CC[C@@H](CSC)N(C)CC#Cc1ccc(Cl)cc1 ZINC000540198602 1127968168 /nfs/dbraw/zinc/96/81/68/1127968168.db2.gz IFRSHKRWIOHXHO-HNNXBMFYSA-N 0 3 281.852 3.765 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)s1 ZINC000122346179 1127971370 /nfs/dbraw/zinc/97/13/70/1127971370.db2.gz YJSUXBMJMSGVJR-MRXNPFEDSA-N 0 3 286.375 3.926 20 30 CHEDHN Clc1ccc(C#CCN2CCC3(CCC3)C2)cc1 ZINC000468115432 1127992939 /nfs/dbraw/zinc/99/29/39/1127992939.db2.gz OVUYOOWDNYNEJY-UHFFFAOYSA-N 0 3 259.780 3.568 20 30 CHEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CC#N)CC1 ZINC000541024148 1128004859 /nfs/dbraw/zinc/00/48/59/1128004859.db2.gz KTZAYLSLEORKSA-CYBMUJFWSA-N 0 3 287.363 3.590 20 30 CHEDHN CCC1(CC)CN(Cc2cc(C#N)cs2)CCS1 ZINC000468540842 1128011752 /nfs/dbraw/zinc/01/17/52/1128011752.db2.gz IVLDPUJDYDHKLJ-UHFFFAOYSA-N 0 3 280.462 3.727 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)CC1(C)C ZINC000545421397 1128014198 /nfs/dbraw/zinc/01/41/98/1128014198.db2.gz XQXPNTXPNXYGMP-LBPRGKRZSA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C[C@H](O)CC#N ZINC000929730902 1128061888 /nfs/dbraw/zinc/06/18/88/1128061888.db2.gz FXOCOXAHXPCCBI-HNAYVOBHSA-N 0 3 294.398 3.621 20 30 CHEDHN C[C@H](NC1(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000271934980 1128082279 /nfs/dbraw/zinc/08/22/79/1128082279.db2.gz ABCYVSKDSJLNMV-AWEZNQCLSA-N 0 3 262.356 3.898 20 30 CHEDHN COc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)ccc1C ZINC000271969345 1128090866 /nfs/dbraw/zinc/09/08/66/1128090866.db2.gz UBLWMOXUBQRMNP-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)ccc1C ZINC000271969347 1128090973 /nfs/dbraw/zinc/09/09/73/1128090973.db2.gz UBLWMOXUBQRMNP-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN Cc1cc(CNCc2cccc(Cl)c2)ccc1C#N ZINC000443969996 1128104892 /nfs/dbraw/zinc/10/48/92/1128104892.db2.gz ZJEYBKGTVYODPG-UHFFFAOYSA-N 0 3 270.763 3.810 20 30 CHEDHN CCCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443970680 1128106068 /nfs/dbraw/zinc/10/60/68/1128106068.db2.gz ROHQJCQRMGOQBY-UHFFFAOYSA-N 0 3 294.398 3.945 20 30 CHEDHN C#CCCCN[C@H](CCC)c1ncccc1Cl ZINC000925158777 1128124369 /nfs/dbraw/zinc/12/43/69/1128124369.db2.gz ATADGKQYPWKFOX-CYBMUJFWSA-N 0 3 250.773 3.579 20 30 CHEDHN CCC#C[C@@H](C)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000653805914 1128126125 /nfs/dbraw/zinc/12/61/25/1128126125.db2.gz CSTAXQOEZOJEOK-OAHLLOKOSA-N 0 3 293.414 3.611 20 30 CHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccsc1 ZINC000800889747 1128127156 /nfs/dbraw/zinc/12/71/56/1128127156.db2.gz WNONSFDJKAXZTL-QWHCGFSZSA-N 0 3 286.400 3.890 20 30 CHEDHN C=CCSCCN[C@H](C)c1cc(-c2ccccc2)no1 ZINC000925349606 1128128321 /nfs/dbraw/zinc/12/83/21/1128128321.db2.gz BKKQOLPEIXBOGL-CYBMUJFWSA-N 0 3 288.416 3.911 20 30 CHEDHN CCc1cccc2c1OCC[C@@H]2N[C@@H](C)CC(C)(C)C#N ZINC000925361358 1128128642 /nfs/dbraw/zinc/12/86/42/1128128642.db2.gz OEJHNKYQCOHJTK-BBRMVZONSA-N 0 3 286.419 3.991 20 30 CHEDHN C=CCC[C@@H](N[C@H](C)c1ccnnc1)c1ccccc1 ZINC000925581079 1128132906 /nfs/dbraw/zinc/13/29/06/1128132906.db2.gz WAFDPKNQRASXTB-RHSMWYFYSA-N 0 3 267.376 3.835 20 30 CHEDHN CC(C)(CCC#N)CN[C@H]1COCc2cccc(Cl)c21 ZINC000926426415 1128171455 /nfs/dbraw/zinc/17/14/55/1128171455.db2.gz DICVYRKHCHLKOL-AWEZNQCLSA-N 0 3 292.810 3.831 20 30 CHEDHN COC[C@@H](N[C@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000926438174 1128172557 /nfs/dbraw/zinc/17/25/57/1128172557.db2.gz HYTNUPXNCUZRLC-IUODEOHRSA-N 0 3 294.826 3.945 20 30 CHEDHN C=C(C)CCN[C@H](C)c1nc(Br)ccc1F ZINC000926521923 1128178678 /nfs/dbraw/zinc/17/86/78/1128178678.db2.gz VNSHJHYVRTWSKV-SECBINFHSA-N 0 3 287.176 3.600 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926526473 1128178720 /nfs/dbraw/zinc/17/87/20/1128178720.db2.gz MRWMAUFFSYQCMV-GDPRMGEGSA-N 0 3 291.338 3.761 20 30 CHEDHN Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1C#N ZINC000926966466 1128206575 /nfs/dbraw/zinc/20/65/75/1128206575.db2.gz IYAMEHOOOAWCRT-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN CC[C@@H](N[C@H](c1cnn(C)c1)C(C)C)c1ccc(C#N)cc1 ZINC000927071743 1128215764 /nfs/dbraw/zinc/21/57/64/1128215764.db2.gz UKLWWDAYMLPOQX-MSOLQXFVSA-N 0 3 296.418 3.730 20 30 CHEDHN CN(Cc1ccc(F)cc1F)CC1CCC(C#N)CC1 ZINC000929254226 1128266490 /nfs/dbraw/zinc/26/64/90/1128266490.db2.gz IBHNXAGEYQRYSN-UHFFFAOYSA-N 0 3 278.346 3.727 20 30 CHEDHN C[C@@H](c1ccc2ccccc2c1)N(C[C@H](O)CC#N)C1CC1 ZINC000929528185 1128277072 /nfs/dbraw/zinc/27/70/72/1128277072.db2.gz KYDVYVIHZVNGGN-IFXJQAMLSA-N 0 3 294.398 3.640 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000929883733 1128292119 /nfs/dbraw/zinc/29/21/19/1128292119.db2.gz BEWVOLIOKFRWAU-GOSISDBHSA-N 0 3 279.387 3.840 20 30 CHEDHN CC(C)(C)[C@H](NCc1cncc(C#N)c1)c1ccc(F)cc1 ZINC000929893901 1128293098 /nfs/dbraw/zinc/29/30/98/1128293098.db2.gz SSTQVXPKXTUTSX-QGZVFWFLSA-N 0 3 297.377 3.969 20 30 CHEDHN N#Cc1cncc(CN[C@@H](c2ccccc2)C2CCC2)c1 ZINC000929964832 1128295598 /nfs/dbraw/zinc/29/55/98/1128295598.db2.gz MADGYTPAXTUAOF-SFHVURJKSA-N 0 3 277.371 3.584 20 30 CHEDHN CC1(c2ccccc2)CCN(Cc2cncc(C#N)c2)CC1 ZINC000930082458 1128299516 /nfs/dbraw/zinc/29/95/16/1128299516.db2.gz OZJVXLPDQXCMFB-UHFFFAOYSA-N 0 3 291.398 3.507 20 30 CHEDHN CC[C@@H](NCc1cncc(C#N)c1)c1ccc(C)cc1 ZINC000930182378 1128304947 /nfs/dbraw/zinc/30/49/47/1128304947.db2.gz HYKHMVNWWMOQBA-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN CC1(C)CN(CC2CCC(C#N)CC2)[C@@H]1c1cccnc1 ZINC000931085328 1128347648 /nfs/dbraw/zinc/34/76/48/1128347648.db2.gz XXZLDNDRZCOVOU-VMBOVVBDSA-N 0 3 283.419 3.794 20 30 CHEDHN C/C(=C/c1ccccc1)CNCc1ccc(C#N)cc1F ZINC000609239630 1128389978 /nfs/dbraw/zinc/38/99/78/1128389978.db2.gz VJEQJOKHJWDBOP-ZROIWOOFSA-N 0 3 280.346 3.890 20 30 CHEDHN C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccncc1C#N ZINC000932274465 1128402079 /nfs/dbraw/zinc/40/20/79/1128402079.db2.gz HTIONDPHEFNCSG-BEFAXECRSA-N 0 3 291.398 3.721 20 30 CHEDHN CC[C@@H](N[C@@H](C)CCC#N)c1cc(F)ccc1OC ZINC000932475101 1128411995 /nfs/dbraw/zinc/41/19/95/1128411995.db2.gz RZVCBFCHOVFWNA-SMDDNHRTSA-N 0 3 264.344 3.567 20 30 CHEDHN C=CCC[C@@H](NCCOc1ccccc1)c1ccco1 ZINC000562854337 1128424160 /nfs/dbraw/zinc/42/41/60/1128424160.db2.gz JZNJVZFGTZHIRP-MRXNPFEDSA-N 0 3 271.360 3.956 20 30 CHEDHN Cc1cc(CN(C)Cc2cccc(N(C)C)c2)ccc1C#N ZINC000488164063 1128438677 /nfs/dbraw/zinc/43/86/77/1128438677.db2.gz QKKMLCCLKOKATJ-UHFFFAOYSA-N 0 3 293.414 3.565 20 30 CHEDHN C=C(C)c1cccc(NC(=O)N(CCN(C)C)C(C)C)c1 ZINC000934879844 1128471970 /nfs/dbraw/zinc/47/19/70/1128471970.db2.gz JANMJRPRUYNASL-UHFFFAOYSA-N 0 3 289.423 3.524 20 30 CHEDHN C#CCN[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000778454782 1128517272 /nfs/dbraw/zinc/51/72/72/1128517272.db2.gz NLKVDQZBIBXVDY-CQSZACIVSA-N 0 3 296.183 3.652 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccncc3)C2)c(Cl)c1 ZINC000565172480 1128521739 /nfs/dbraw/zinc/52/17/39/1128521739.db2.gz OJZJKCPIZDILDA-HNNXBMFYSA-N 0 3 297.789 3.596 20 30 CHEDHN CC(C)[C@H](NCc1ccc(CC#N)cc1)c1cccnc1 ZINC000567501524 1128565711 /nfs/dbraw/zinc/56/57/11/1128565711.db2.gz ZFMOQGDNZBRNAB-SFHVURJKSA-N 0 3 279.387 3.635 20 30 CHEDHN Cc1cc(CN2CCC=C(c3ccccn3)C2)ccc1C#N ZINC000568762958 1128591323 /nfs/dbraw/zinc/59/13/23/1128591323.db2.gz ANKHOVIOUCFVOJ-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN CCc1ccc(N2CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000174880397 1128603888 /nfs/dbraw/zinc/60/38/88/1128603888.db2.gz MJYWQZUTWQOUQD-UHFFFAOYSA-N 0 3 299.462 3.701 20 30 CHEDHN C=C(Br)CN[C@H](C)CCc1ccccc1 ZINC000044482660 1128633524 /nfs/dbraw/zinc/63/35/24/1128633524.db2.gz VPDRKICFRRGIEC-GFCCVEGCSA-N 0 3 268.198 3.506 20 30 CHEDHN C=CCC[C@H](C)NCc1cc(-c2ccccc2)on1 ZINC000570974980 1128635108 /nfs/dbraw/zinc/63/51/08/1128635108.db2.gz XAQAKTOWZCAMKV-ZDUSSCGKSA-N 0 3 256.349 3.786 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000195252125 1128663843 /nfs/dbraw/zinc/66/38/43/1128663843.db2.gz NMDQNIAGWAAIFS-OALUTQOASA-N 0 3 292.382 3.568 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccs2)c([O-])c1 ZINC000920942274 1128694956 /nfs/dbraw/zinc/69/49/56/1128694956.db2.gz VHWFILNNQAIORV-GZTJUZNOSA-N 0 3 288.416 3.919 20 30 CHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(F)c1 ZINC000034992828 1117758116 /nfs/dbraw/zinc/75/81/16/1117758116.db2.gz YWJSRZQSCNZLOQ-ZDUSSCGKSA-N 0 3 284.334 3.579 20 30 CHEDHN CCCCCCC/C=C/CN1CCC2(CCOC2=O)CC1 ZINC001208122896 1117801958 /nfs/dbraw/zinc/80/19/58/1117801958.db2.gz BJKTYAYVEUWFNG-CMDGGOBGSA-N 0 3 293.451 3.932 20 30 CHEDHN C=CCOc1ccc(CN2CCC3(CC3(F)F)CC2)cc1 ZINC000651953622 1117819143 /nfs/dbraw/zinc/81/91/43/1117819143.db2.gz OYONHGYAEFNOLB-UHFFFAOYSA-N 0 3 293.357 3.873 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc(F)c2)c1 ZINC000073012553 1117867167 /nfs/dbraw/zinc/86/71/67/1117867167.db2.gz LXCYUEDYCRDGDP-QGZVFWFLSA-N 0 3 298.361 3.796 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000119322933 1117886813 /nfs/dbraw/zinc/88/68/13/1117886813.db2.gz BGPULHUDDREFHY-MNOVXSKESA-N 0 3 255.308 3.822 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000119355980 1117891757 /nfs/dbraw/zinc/89/17/57/1117891757.db2.gz LNNBDLPXPXAESM-UWVGGRQHSA-N 0 3 269.772 3.582 20 30 CHEDHN N#CC1(CCN[C@H](c2ccccn2)C2CC2)CCCCC1 ZINC000932382697 1117928154 /nfs/dbraw/zinc/92/81/54/1117928154.db2.gz AXOINTNNPBDTBG-KRWDZBQOSA-N 0 3 283.419 3.986 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC001206799262 1117938433 /nfs/dbraw/zinc/93/84/33/1117938433.db2.gz CZUHMULNYMSPBM-OAHLLOKOSA-N 0 3 281.355 3.917 20 30 CHEDHN C=CCOCCN[C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623957607 1117961126 /nfs/dbraw/zinc/96/11/26/1117961126.db2.gz OFGLUEIHVIEFDK-JTQLQIEISA-N 0 3 291.288 3.698 20 30 CHEDHN COc1cc(CNCc2cc(C)sc2C)ccc1C#N ZINC000579412505 1128747223 /nfs/dbraw/zinc/74/72/23/1128747223.db2.gz QWKOVNHQCBSQAP-UHFFFAOYSA-N 0 3 286.400 3.535 20 30 CHEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000181355423 1117998724 /nfs/dbraw/zinc/99/87/24/1117998724.db2.gz OXGFESQAEMTZEP-CQSZACIVSA-N 0 3 253.320 3.528 20 30 CHEDHN CC(C)[C@H](NCCCC#N)c1ccc(F)cc1F ZINC000181654854 1118003704 /nfs/dbraw/zinc/00/37/04/1118003704.db2.gz APWFEQISEFIGRL-AWEZNQCLSA-N 0 3 252.308 3.555 20 30 CHEDHN Cc1ccccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000237702835 1128752364 /nfs/dbraw/zinc/75/23/64/1128752364.db2.gz KRXXOLLLWCMONG-HNNXBMFYSA-N 0 3 280.371 3.576 20 30 CHEDHN COc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000179694105 1128754757 /nfs/dbraw/zinc/75/47/57/1128754757.db2.gz CNEQCMYJJCVLJN-IBGZPJMESA-N 0 3 292.382 3.808 20 30 CHEDHN CC[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC000653877548 1118125906 /nfs/dbraw/zinc/12/59/06/1118125906.db2.gz OTDHDTYFGQHOQD-SJORKVTESA-N 0 3 291.822 3.629 20 30 CHEDHN COc1ccc([C@@H](NCc2csc(C#N)c2)C2CC2)cc1 ZINC000921514780 1118155170 /nfs/dbraw/zinc/15/51/70/1118155170.db2.gz XWLPBVHONSOREV-KRWDZBQOSA-N 0 3 298.411 3.869 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2F)C2CC2)C1 ZINC001168541786 1118157651 /nfs/dbraw/zinc/15/76/51/1118157651.db2.gz LFZHMNAQNRIYSW-AKWBHNSASA-N 0 3 276.330 3.698 20 30 CHEDHN CN(C/C=C/c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000130773278 1118197629 /nfs/dbraw/zinc/19/76/29/1118197629.db2.gz MWECMQZZELDIHK-ZZXKWVIFSA-N 0 3 280.346 3.843 20 30 CHEDHN Cc1ccc2c(c1)CC[C@@H]2NCc1csc(C#N)c1 ZINC000921613571 1118205898 /nfs/dbraw/zinc/20/58/98/1118205898.db2.gz JSCWFDSIUYRPKC-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN C=CCCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000338542878 1118214109 /nfs/dbraw/zinc/21/41/09/1118214109.db2.gz SBSCXEGHAPSEFL-KRWDZBQOSA-N 0 3 252.361 3.645 20 30 CHEDHN C=CCCCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000076182524 1128770142 /nfs/dbraw/zinc/77/01/42/1128770142.db2.gz GHIMDZAVDMIIRJ-IUCAKERBSA-N 0 3 275.236 3.625 20 30 CHEDHN Cc1cccnc1[C@H]1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000619612235 1118398814 /nfs/dbraw/zinc/39/88/14/1118398814.db2.gz KLRGNSVIICMJKV-LSDHHAIUSA-N 0 3 271.408 3.556 20 30 CHEDHN N#Cc1ccc(F)c(CN(C2CC2)C2CCCC2)c1 ZINC000064809188 1118421313 /nfs/dbraw/zinc/42/13/13/1118421313.db2.gz RTQIWEBOKYINPY-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN CN1CCC[C@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000334577014 1118556175 /nfs/dbraw/zinc/55/61/75/1118556175.db2.gz BVUTXCFRCVRJDU-SFHVURJKSA-N 0 3 291.398 3.619 20 30 CHEDHN CCC#C[C@H](C)N1CCC(OC2CCCCC2)CC1 ZINC000656569005 1118597859 /nfs/dbraw/zinc/59/78/59/1118597859.db2.gz QNGBHBHEGYIMKF-HNNXBMFYSA-N 0 3 263.425 3.602 20 30 CHEDHN C=CCc1cc(C[N@@H+](CCCC)C2CC2)c([O-])c(OC)c1 ZINC000754725991 1118645654 /nfs/dbraw/zinc/64/56/54/1118645654.db2.gz KIMWHKCYOXBENW-UHFFFAOYSA-N 0 3 289.419 3.894 20 30 CHEDHN C=CCc1cc(C[N@H+](CCCC)C2CC2)c([O-])c(OC)c1 ZINC000754725991 1118645657 /nfs/dbraw/zinc/64/56/57/1118645657.db2.gz KIMWHKCYOXBENW-UHFFFAOYSA-N 0 3 289.419 3.894 20 30 CHEDHN C[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC001167478349 1118669314 /nfs/dbraw/zinc/66/93/14/1118669314.db2.gz OUIDYTOHNIOYRV-KBPBESRZSA-N 0 3 261.796 3.812 20 30 CHEDHN Cc1ccc([C@H](NCC2(CC#N)CC2)C2CCC2)o1 ZINC000430725045 1118765289 /nfs/dbraw/zinc/76/52/89/1118765289.db2.gz PRRSJWYNCULIFM-OAHLLOKOSA-N 0 3 258.365 3.713 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1ccccc1OC(F)(F)F ZINC000430743563 1118766038 /nfs/dbraw/zinc/76/60/38/1118766038.db2.gz LEGYPSALLJOPEV-NSHDSACASA-N 0 3 298.308 3.930 20 30 CHEDHN CC(C)[C@H](NCc1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000610994450 1118919467 /nfs/dbraw/zinc/91/94/67/1118919467.db2.gz QZPKYEZTJAVWQZ-KRWDZBQOSA-N 0 3 283.350 3.579 20 30 CHEDHN COc1ccccc1[C@@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000892097467 1118962881 /nfs/dbraw/zinc/96/28/81/1118962881.db2.gz YGQWTUYQRWFBOS-CQSZACIVSA-N 0 3 298.411 3.618 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc(C#N)nc1 ZINC001140542373 1118988495 /nfs/dbraw/zinc/98/84/95/1118988495.db2.gz AFLJVAJEABQAFQ-UHFFFAOYSA-N 0 3 259.397 3.746 20 30 CHEDHN N#CCCCN(Cc1cccc(Br)c1)C1CC1 ZINC000051423901 1119001686 /nfs/dbraw/zinc/00/16/86/1119001686.db2.gz OMYGMFJJGKJTJN-UHFFFAOYSA-N 0 3 293.208 3.717 20 30 CHEDHN C[C@H](N[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000611588560 1119055142 /nfs/dbraw/zinc/05/51/42/1119055142.db2.gz GJJYPWVGYRIKID-ONGXEEELSA-N 0 3 268.282 3.536 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(OC)c2)cc1 ZINC000158641361 1119076233 /nfs/dbraw/zinc/07/62/33/1119076233.db2.gz IGZRRVKBQGQSGD-HNNXBMFYSA-N 0 3 295.382 3.558 20 30 CHEDHN CC(C)(C#N)CCCN1CCOC2(C1)CCCCCC2 ZINC000119476817 1119213604 /nfs/dbraw/zinc/21/36/04/1119213604.db2.gz HUMKDXLWMMJXLF-UHFFFAOYSA-N 0 3 278.440 3.742 20 30 CHEDHN CC(C)CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001167633876 1119248567 /nfs/dbraw/zinc/24/85/67/1119248567.db2.gz GPEJLKBQFAFLNS-UHFFFAOYSA-N 0 3 256.393 3.816 20 30 CHEDHN CN(CCCSCC#N)Cc1ccc(Cl)c(F)c1 ZINC000127735659 1119369561 /nfs/dbraw/zinc/36/95/61/1119369561.db2.gz AAPRQUIUYRDTFV-UHFFFAOYSA-N 0 3 286.803 3.558 20 30 CHEDHN Cc1cccc([C@@H]2CCCN2CC2(C#N)CC2)c1C ZINC000343319739 1119385068 /nfs/dbraw/zinc/38/50/68/1119385068.db2.gz JDXCRWMBYQLJTC-INIZCTEOSA-N 0 3 254.377 3.744 20 30 CHEDHN CC[C@@H](NC[C@@H](C#N)CCC#N)C(C)(C)c1ccccc1 ZINC000583626351 1119386884 /nfs/dbraw/zinc/38/68/84/1119386884.db2.gz OCJGSTADKHTPKP-NVXWUHKLSA-N 0 3 283.419 3.776 20 30 CHEDHN C=CCCCCNCc1ccnc(Cl)c1Cl ZINC000309510426 1119401984 /nfs/dbraw/zinc/40/19/84/1119401984.db2.gz PAFBDDOCKJHEPA-UHFFFAOYSA-N 0 3 259.180 3.834 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(Cl)cc1 ZINC000136960354 1119543755 /nfs/dbraw/zinc/54/37/55/1119543755.db2.gz NTYMPAGBNVOVOC-FZMZJTMJSA-N 0 3 250.773 3.553 20 30 CHEDHN CC[C@@H](C)CN(C)Cc1ccc(Cl)cc1C#N ZINC000480553037 1119594033 /nfs/dbraw/zinc/59/40/33/1119594033.db2.gz INCYDGGHUJXXAC-LLVKDONJSA-N 0 3 250.773 3.690 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(C#N)c1 ZINC000188091249 1119664051 /nfs/dbraw/zinc/66/40/51/1119664051.db2.gz DAFBDMOVGYSRMF-AWEZNQCLSA-N 0 3 275.355 3.623 20 30 CHEDHN CC(C)C[C@H](NCc1ccnc(C#N)c1)c1cccs1 ZINC000612475321 1119790150 /nfs/dbraw/zinc/79/01/50/1119790150.db2.gz CADGFBWJVHVELF-HNNXBMFYSA-N 0 3 285.416 3.892 20 30 CHEDHN C[C@@H](C1CC1)N(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000721601617 1119843204 /nfs/dbraw/zinc/84/32/04/1119843204.db2.gz GRUDKZSYZOZHPI-HNNXBMFYSA-N 0 3 291.398 3.754 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1cc(-c2ccccc2)nn1C ZINC000414172535 1119926021 /nfs/dbraw/zinc/92/60/21/1119926021.db2.gz WCPOLYDCZNAOMP-AWEZNQCLSA-N 0 3 296.418 3.678 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000414305409 1119974284 /nfs/dbraw/zinc/97/42/84/1119974284.db2.gz RSLYWWJKVHOKQX-DJIMGWMZSA-N 0 3 281.403 3.666 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000659023007 1119993435 /nfs/dbraw/zinc/99/34/35/1119993435.db2.gz RVELMPINJAFYTP-GUYCJALGSA-N 0 3 299.418 3.546 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2C)cc1F ZINC000186318215 1120023964 /nfs/dbraw/zinc/02/39/64/1120023964.db2.gz PIKLUCQCCPTKOB-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN C#C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)C(C)C ZINC000311276184 1120059525 /nfs/dbraw/zinc/05/95/25/1120059525.db2.gz HIYJPFZVISBAOX-ZDUSSCGKSA-N 0 3 273.273 3.592 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cc2cnccc2o1 ZINC000926811935 1120062690 /nfs/dbraw/zinc/06/26/90/1120062690.db2.gz ISKNAXZUGSOHJS-RYUDHWBXSA-N 0 3 271.364 3.807 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000542692491 1120119663 /nfs/dbraw/zinc/11/96/63/1120119663.db2.gz SZEBCTSFTMXVEY-HYVNUMGLSA-N 0 3 256.393 3.852 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000542695814 1120122110 /nfs/dbraw/zinc/12/21/10/1120122110.db2.gz FEVJPSXPYAPGEY-WBMJQRKESA-N 0 3 258.340 3.511 20 30 CHEDHN C=CC[C@H](C)NCc1nc(-c2cccc(OC)c2)cs1 ZINC000892950013 1120177166 /nfs/dbraw/zinc/17/71/66/1120177166.db2.gz KDYKYJIKSRIUIN-LBPRGKRZSA-N 0 3 288.416 3.873 20 30 CHEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(SC(F)F)cc1 ZINC001116642751 1120180084 /nfs/dbraw/zinc/18/00/84/1120180084.db2.gz AEFNZBPPIVSZQC-JQWIXIFHSA-N 0 3 287.375 3.853 20 30 CHEDHN C=CC(C)(C)CNCc1cscc1Br ZINC000395391031 1120230167 /nfs/dbraw/zinc/23/01/67/1120230167.db2.gz PACLPSABFUYLTQ-UHFFFAOYSA-N 0 3 274.227 3.812 20 30 CHEDHN N#Cc1cccc(C2(NCc3cccc4cc[nH]c43)CC2)c1 ZINC000341238716 1120247752 /nfs/dbraw/zinc/24/77/52/1120247752.db2.gz PMHDUYPSEORHIG-UHFFFAOYSA-N 0 3 287.366 3.818 20 30 CHEDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000076067571 1120275756 /nfs/dbraw/zinc/27/57/56/1120275756.db2.gz XKHCUNFYWGIJDY-LSDHHAIUSA-N 0 3 292.423 3.803 20 30 CHEDHN C#CCCCCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000925525358 1120284073 /nfs/dbraw/zinc/28/40/73/1120284073.db2.gz AKAMRNUMFIKSQA-IBGZPJMESA-N 0 3 278.399 3.873 20 30 CHEDHN COc1ccc(CNC2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000921924083 1120284184 /nfs/dbraw/zinc/28/41/84/1120284184.db2.gz MPLHWMBFXJGTEB-UHFFFAOYSA-N 0 3 292.382 3.654 20 30 CHEDHN C#CCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000779397430 1128906475 /nfs/dbraw/zinc/90/64/75/1128906475.db2.gz AFQIJPSHBWIMCF-LJQANCHMSA-N 0 3 290.366 3.920 20 30 CHEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000541391445 1120315502 /nfs/dbraw/zinc/31/55/02/1120315502.db2.gz WZUWTLPHPCRBEL-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1ccc(C#N)o1 ZINC000516514025 1120333642 /nfs/dbraw/zinc/33/36/42/1120333642.db2.gz CNCQOAOQZMXFNK-CHWSQXEVSA-N 0 3 260.381 3.798 20 30 CHEDHN C#CCOc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1 ZINC000236696227 1120465954 /nfs/dbraw/zinc/46/59/54/1120465954.db2.gz VEIQINTWBDUIEH-UHFFFAOYSA-N 0 3 297.373 3.863 20 30 CHEDHN C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000618571861 1128918818 /nfs/dbraw/zinc/91/88/18/1128918818.db2.gz GDCCPFGAONQANF-NQBHXWOUSA-N 0 3 264.319 3.698 20 30 CHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000020095405 1120494060 /nfs/dbraw/zinc/49/40/60/1120494060.db2.gz FUNPQIYVJVBSKB-LBPRGKRZSA-N 0 3 254.308 3.548 20 30 CHEDHN C=C(C)[C@@H](N[C@@H]1COC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000418016494 1120504376 /nfs/dbraw/zinc/50/43/76/1120504376.db2.gz WXCYMIVRBYCTPJ-SWLSCSKDSA-N 0 3 281.346 3.739 20 30 CHEDHN C=C(C)CN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000500142307 1120518530 /nfs/dbraw/zinc/51/85/30/1120518530.db2.gz VSGLCEAYTLQDLO-UHFFFAOYSA-N 0 3 263.356 3.532 20 30 CHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000020095403 1120519276 /nfs/dbraw/zinc/51/92/76/1120519276.db2.gz FUNPQIYVJVBSKB-GFCCVEGCSA-N 0 3 254.308 3.548 20 30 CHEDHN COc1cc([C@H](C)NCc2cccc(C#N)c2)ccc1F ZINC000154456341 1120546846 /nfs/dbraw/zinc/54/68/46/1120546846.db2.gz UUJHLFTTWUKBTI-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN N#CC(C(=O)[C@H]1CC12CCC2)c1ccc2ccccc2n1 ZINC000759815915 1120553543 /nfs/dbraw/zinc/55/35/43/1120553543.db2.gz VBSZOLGIJTWKSC-ZIAGYGMSSA-N 0 3 276.339 3.601 20 30 CHEDHN CC(C)N(CCc1nccs1)Cc1cc(C#N)cs1 ZINC000093764332 1120566821 /nfs/dbraw/zinc/56/68/21/1120566821.db2.gz JLASLEHSAULTKM-UHFFFAOYSA-N 0 3 291.445 3.529 20 30 CHEDHN CN(Cc1cccc(F)c1C#N)C1CCC(F)(F)CC1 ZINC000428960960 1120587822 /nfs/dbraw/zinc/58/78/22/1120587822.db2.gz JYTYSKQOEULCLI-UHFFFAOYSA-N 0 3 282.309 3.707 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000925693519 1120604166 /nfs/dbraw/zinc/60/41/66/1120604166.db2.gz PBHVNUZVHXJLJV-VXGBXAGGSA-N 0 3 275.352 3.574 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000186714825 1120646719 /nfs/dbraw/zinc/64/67/19/1120646719.db2.gz DETVITAYDNMURG-KOLCDFICSA-N 0 3 274.191 3.581 20 30 CHEDHN CC[C@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC000162863690 1120694785 /nfs/dbraw/zinc/69/47/85/1120694785.db2.gz JTOFCYRBMUBWKQ-AWEZNQCLSA-N 0 3 262.784 3.976 20 30 CHEDHN C=CCN(Cc1cccnc1C(F)(F)F)C(C)(C)C ZINC000625538806 1120699779 /nfs/dbraw/zinc/69/97/79/1120699779.db2.gz LMYSZBMHSQJLBG-UHFFFAOYSA-N 0 3 272.314 3.887 20 30 CHEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1F ZINC000618741237 1128935698 /nfs/dbraw/zinc/93/56/98/1128935698.db2.gz CGURSCOGAUVSRP-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc2ccccc2c(=O)[nH]1 ZINC000661116054 1120719947 /nfs/dbraw/zinc/71/99/47/1120719947.db2.gz HCTMBVOSXPESSP-ZFWWWQNUSA-N 0 3 297.402 3.560 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)c(F)c1 ZINC000618743096 1128936013 /nfs/dbraw/zinc/93/60/13/1128936013.db2.gz WMCVQKFHDFIUDC-KRWDZBQOSA-N 0 3 284.309 3.614 20 30 CHEDHN Cc1nc(C)c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618803290 1128939727 /nfs/dbraw/zinc/93/97/27/1128939727.db2.gz HWDXARNZOQLEND-MEDUHNTESA-N 0 3 297.427 3.970 20 30 CHEDHN COc1cccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618802224 1128939856 /nfs/dbraw/zinc/93/98/56/1128939856.db2.gz DAGSMUXVLKNOEL-ORAYPTAESA-N 0 3 292.382 3.905 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2cc(F)ccc21 ZINC000618805251 1128940145 /nfs/dbraw/zinc/94/01/45/1128940145.db2.gz NJRAFMSPRJYDEN-RTBURBONSA-N 0 3 292.357 3.962 20 30 CHEDHN C=CCCCN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652194627 1120797936 /nfs/dbraw/zinc/79/79/36/1120797936.db2.gz VZOJEQXYVRJHAH-SFHVURJKSA-N 0 3 282.387 3.735 20 30 CHEDHN C=C(C)CCN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652204401 1120799033 /nfs/dbraw/zinc/79/90/33/1120799033.db2.gz QGKMTIVTDBNIFT-SFHVURJKSA-N 0 3 282.387 3.735 20 30 CHEDHN CCCCCCCCCN[C@H](C)c1nccn1C ZINC000182236378 1128944500 /nfs/dbraw/zinc/94/45/00/1128944500.db2.gz SHUHPCIVSGQHDB-CQSZACIVSA-N 0 3 251.418 3.821 20 30 CHEDHN C=CCCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000662052328 1120866082 /nfs/dbraw/zinc/86/60/82/1120866082.db2.gz QYOVMOAJTGXFQQ-LBPRGKRZSA-N 0 3 274.191 3.583 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccccc1CC ZINC000662078793 1120870551 /nfs/dbraw/zinc/87/05/51/1120870551.db2.gz GSPAHFLRLUDPCX-BHYGNILZSA-N 0 3 298.430 3.759 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000662078321 1120871848 /nfs/dbraw/zinc/87/18/48/1120871848.db2.gz AKNYGSWZDHVZSG-CWRNSKLLSA-N 0 3 295.386 3.981 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2nsc3ccccc32)C1 ZINC000625701215 1121060936 /nfs/dbraw/zinc/06/09/36/1121060936.db2.gz HVMQFJWPAWLNJV-GFCCVEGCSA-N 0 3 258.390 3.694 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C2CC2)s1 ZINC000658033430 1121121221 /nfs/dbraw/zinc/12/12/21/1121121221.db2.gz BHURPYGLGKDJOB-DGCLKSJQSA-N 0 3 277.437 3.640 20 30 CHEDHN N#Cc1ccc(CNCCc2cc(Cl)cc(Cl)c2)o1 ZINC000174310418 1121279181 /nfs/dbraw/zinc/27/91/81/1121279181.db2.gz JJYFDYUVOAHGFJ-UHFFFAOYSA-N 0 3 295.169 3.790 20 30 CHEDHN Cc1nc2ccc(Nc3ccc(F)c(CC#N)c3)cc2[nH]1 ZINC001213077323 1121333844 /nfs/dbraw/zinc/33/38/44/1121333844.db2.gz RTLAZSPFOUAPFE-UHFFFAOYSA-N 0 3 280.306 3.820 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)Cc2cccc(OC)c2)c1[O-] ZINC001138629363 1128980241 /nfs/dbraw/zinc/98/02/41/1128980241.db2.gz WGGNFAIXECZFPU-UHFFFAOYSA-N 0 3 297.398 3.761 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)Cc2cccc(OC)c2)c1[O-] ZINC001138629363 1128980243 /nfs/dbraw/zinc/98/02/43/1128980243.db2.gz WGGNFAIXECZFPU-UHFFFAOYSA-N 0 3 297.398 3.761 20 30 CHEDHN N#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1 ZINC001175504621 1121352373 /nfs/dbraw/zinc/35/23/73/1121352373.db2.gz DCPNQDKIBPVHQX-UHFFFAOYSA-N 0 3 289.382 3.760 20 30 CHEDHN CC1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000432810758 1121375578 /nfs/dbraw/zinc/37/55/78/1121375578.db2.gz AULNPYRNGSDSDA-IAGOWNOFSA-N 0 3 268.404 3.948 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1cc(Cl)ccc1OCC ZINC000675933716 1121387640 /nfs/dbraw/zinc/38/76/40/1121387640.db2.gz NSRZQTGEAWOOQM-GHMZBOCLSA-N 0 3 253.773 3.964 20 30 CHEDHN C=C(C)CN(CCC(C)C)Cc1cnn(C(C)C)c1 ZINC000512521946 1121407289 /nfs/dbraw/zinc/40/72/89/1121407289.db2.gz MFRIBMWHODVQMI-UHFFFAOYSA-N 0 3 263.429 3.888 20 30 CHEDHN C=CCCC[C@H](C)NCc1ccncc1Br ZINC000631107791 1128985395 /nfs/dbraw/zinc/98/53/95/1128985395.db2.gz GTGDJVDHECPAHO-NSHDSACASA-N 0 3 283.213 3.679 20 30 CHEDHN C=C(C)CCN(C)Cc1cc(Br)ccc1F ZINC000509277517 1121506376 /nfs/dbraw/zinc/50/63/76/1121506376.db2.gz UUIBUHVCUCGWBP-UHFFFAOYSA-N 0 3 286.188 3.986 20 30 CHEDHN C#Cc1cccc(Nc2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC001175977985 1121510441 /nfs/dbraw/zinc/51/04/41/1121510441.db2.gz IEFMJXCCHDDTJO-SFHVURJKSA-N 0 3 292.382 3.797 20 30 CHEDHN CC(C)C[C@H](CNCC(C)(C)C#N)c1ccccc1 ZINC000619428935 1128990849 /nfs/dbraw/zinc/99/08/49/1128990849.db2.gz OZZNQAONMWOYAT-MRXNPFEDSA-N 0 3 258.409 3.956 20 30 CHEDHN CC[C@@H](NCc1ccnc(C#N)c1)c1cccc(Cl)c1 ZINC000611378469 1121642336 /nfs/dbraw/zinc/64/23/36/1121642336.db2.gz VMIVEXXIQMXNSA-MRXNPFEDSA-N 0 3 285.778 3.848 20 30 CHEDHN CC[C@H](NCc1ccnc(C#N)c1)c1cccc(Cl)c1 ZINC000611378468 1121642630 /nfs/dbraw/zinc/64/26/30/1121642630.db2.gz VMIVEXXIQMXNSA-INIZCTEOSA-N 0 3 285.778 3.848 20 30 CHEDHN CSc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000619623935 1128999830 /nfs/dbraw/zinc/99/98/30/1128999830.db2.gz HRUHYNMGCNDEJN-GFCCVEGCSA-N 0 3 283.400 3.526 20 30 CHEDHN C#CCCCCCCN(C)Cc1cnc(C(C)C)nc1 ZINC000877498770 1121671614 /nfs/dbraw/zinc/67/16/14/1121671614.db2.gz IMASAINKWWEVAA-UHFFFAOYSA-N 0 3 273.424 3.616 20 30 CHEDHN C=CCCCN(CC)CC(=O)Nc1cccc(Cl)c1 ZINC001176797695 1121693282 /nfs/dbraw/zinc/69/32/82/1121693282.db2.gz DEDJVYHFPKOHIE-UHFFFAOYSA-N 0 3 280.799 3.567 20 30 CHEDHN CC(C)c1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000397741801 1121695547 /nfs/dbraw/zinc/69/55/47/1121695547.db2.gz NDXOOHVRZDVLBK-HNNXBMFYSA-N 0 3 256.393 3.936 20 30 CHEDHN C#C[C@H]1CCCCN1C[C@H](OC(C)C)c1ccccc1 ZINC001176832836 1121696943 /nfs/dbraw/zinc/69/69/43/1121696943.db2.gz KJBODHYUZHEMBG-ROUUACIJSA-N 0 3 271.404 3.640 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccccn1 ZINC000614402354 1121709630 /nfs/dbraw/zinc/70/96/30/1121709630.db2.gz ADUAYMBFZDFXKF-SFHVURJKSA-N 0 3 277.371 3.599 20 30 CHEDHN CC(=NNCCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000729146169 1121759486 /nfs/dbraw/zinc/75/94/86/1121759486.db2.gz OMUKCWXLYKXNGC-UHFFFAOYSA-N 0 3 295.430 3.699 20 30 CHEDHN C=CCSCCNCc1nc2ccccc2n1C(C)C ZINC001178454257 1121788223 /nfs/dbraw/zinc/78/82/23/1121788223.db2.gz IHRZIVBYFRESMR-UHFFFAOYSA-N 0 3 289.448 3.626 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccc(C)cc2)o1 ZINC001178742647 1121810603 /nfs/dbraw/zinc/81/06/03/1121810603.db2.gz UDISTJIARFOEDK-SJORKVTESA-N 0 3 283.371 3.688 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1nccn1CC(F)(F)F ZINC000345180097 1121853859 /nfs/dbraw/zinc/85/38/59/1121853859.db2.gz ZXQSXBZMJUUXMO-GFCCVEGCSA-N 0 3 289.345 3.670 20 30 CHEDHN C=C(Cl)CN[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000280138897 1121865128 /nfs/dbraw/zinc/86/51/28/1121865128.db2.gz DOIVXRNXOXYEPL-NEPJUHHUSA-N 0 3 283.799 3.538 20 30 CHEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)CC#Cc1ccccc1 ZINC001179919897 1121932287 /nfs/dbraw/zinc/93/22/87/1121932287.db2.gz QFMNAIVSEZFKTN-QZTJIDSGSA-N 0 3 285.431 3.564 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1 ZINC000733323172 1121976299 /nfs/dbraw/zinc/97/62/99/1121976299.db2.gz MEFPSDWUYJOCKY-CQSZACIVSA-N 0 3 283.346 3.689 20 30 CHEDHN Cc1nc(C)c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618803285 1122004962 /nfs/dbraw/zinc/00/49/62/1122004962.db2.gz HWDXARNZOQLEND-BDJLRTHQSA-N 0 3 297.427 3.970 20 30 CHEDHN CCc1ncc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000414454051 1122005538 /nfs/dbraw/zinc/00/55/38/1122005538.db2.gz QCVWJWODTLOXDM-KRWDZBQOSA-N 0 3 294.402 3.564 20 30 CHEDHN C=C(C)[C@H](NC[C@H](CCC)OC)c1ccc(F)c(F)c1 ZINC001180953686 1122025291 /nfs/dbraw/zinc/02/52/91/1122025291.db2.gz SABPQFSIDLOISQ-BBRMVZONSA-N 0 3 283.362 3.987 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H](CC)[C@@H]1C ZINC001181044609 1122029935 /nfs/dbraw/zinc/02/99/35/1122029935.db2.gz WJXCNJKPMCKPKX-UONOGXRCSA-N 0 3 291.822 3.972 20 30 CHEDHN C[C@@]1(Cc2ccc(F)cc2)CCCN1CC1(C#N)CC1 ZINC000420934014 1122044890 /nfs/dbraw/zinc/04/48/90/1122044890.db2.gz WQZPWWTYNOZHSH-INIZCTEOSA-N 0 3 272.367 3.526 20 30 CHEDHN CC1(C)[C@H](c2ccccc2)CCN1CC1(C#N)CC1 ZINC000421028216 1122060531 /nfs/dbraw/zinc/06/05/31/1122060531.db2.gz WHZGPEAVZCIACC-HNNXBMFYSA-N 0 3 254.377 3.558 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000774134456 1122133020 /nfs/dbraw/zinc/13/30/20/1122133020.db2.gz ZRJLUODBOOCRBI-SFHVURJKSA-N 0 3 275.355 3.671 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC001183065010 1122204442 /nfs/dbraw/zinc/20/44/42/1122204442.db2.gz CMHIKLKARVXVGF-LLVKDONJSA-N 0 3 276.767 3.879 20 30 CHEDHN N#CCC1(CNCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000430065531 1122263274 /nfs/dbraw/zinc/26/32/74/1122263274.db2.gz IKGKOGCUNIVUNA-UHFFFAOYSA-N 0 3 286.272 3.628 20 30 CHEDHN COc1ccc2ccccc2c1CNCC1(CC#N)CC1 ZINC000430072545 1122287577 /nfs/dbraw/zinc/28/75/77/1122287577.db2.gz SGPBWMYVBHEABN-UHFFFAOYSA-N 0 3 280.371 3.632 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)CC1(O)CCCC1 ZINC000504396117 1122295057 /nfs/dbraw/zinc/29/50/57/1122295057.db2.gz XISDWULUNCDUBX-UHFFFAOYSA-N 0 3 285.840 3.695 20 30 CHEDHN C=C1CC(C)(C(=O)NCCP(C(C)C)C(C)C)C1 ZINC001184794571 1122298280 /nfs/dbraw/zinc/29/82/80/1122298280.db2.gz GINHDJDJCKUXMA-UHFFFAOYSA-N 0 3 269.369 3.758 20 30 CHEDHN C=CCOc1ccccc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000430099843 1122404244 /nfs/dbraw/zinc/40/42/44/1122404244.db2.gz UVMCKYPSXWKUGR-CVEARBPZSA-N 0 3 293.357 3.729 20 30 CHEDHN CC[C@@H](CC(F)F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000838791347 1122432394 /nfs/dbraw/zinc/43/23/94/1122432394.db2.gz SIPZNGYJMXIVIZ-VHSXEESVSA-N 0 3 292.285 3.685 20 30 CHEDHN C#CC[C@@H](NCc1cccc2nsnc21)c1ccccc1 ZINC000775400563 1122546899 /nfs/dbraw/zinc/54/68/99/1122546899.db2.gz PRWXOIPXMFTIMU-OAHLLOKOSA-N 0 3 293.395 3.546 20 30 CHEDHN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(C)o1 ZINC000775411228 1122555239 /nfs/dbraw/zinc/55/52/39/1122555239.db2.gz USFHFDYIOFRQEF-SFHVURJKSA-N 0 3 280.371 3.935 20 30 CHEDHN C=CCCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001191029778 1122565558 /nfs/dbraw/zinc/56/55/58/1122565558.db2.gz JHDZTIVGHGSDFO-GJZGRUSLSA-N 0 3 296.455 3.672 20 30 CHEDHN COCC#CCN[C@H](c1oc2ccccc2c1C)C(C)C ZINC001192791953 1122660338 /nfs/dbraw/zinc/66/03/38/1122660338.db2.gz OCFBSIVORWGHBM-KRWDZBQOSA-N 0 3 285.387 3.678 20 30 CHEDHN C#C[C@H](N[C@@H](C)c1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000775574495 1122676718 /nfs/dbraw/zinc/67/67/18/1122676718.db2.gz PRLFITMPJNTUOI-ZOCIIQOWSA-N 0 3 279.383 3.671 20 30 CHEDHN C#C[C@H](N[C@H](C)c1cccc2ccccc21)[C@@H]1CCCO1 ZINC000775571566 1122677853 /nfs/dbraw/zinc/67/78/53/1122677853.db2.gz IKLFGRADKPQQRB-CCKFTAQKSA-N 0 3 279.383 3.671 20 30 CHEDHN C=CC1CCN(Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438110702 1122679101 /nfs/dbraw/zinc/67/91/01/1122679101.db2.gz RAXWNROUKDLREL-UHFFFAOYSA-N 0 3 258.340 3.705 20 30 CHEDHN C=C1CCN(Cc2ccc3nc(C)ccc3c2)CC1 ZINC000438120716 1122682445 /nfs/dbraw/zinc/68/24/45/1122682445.db2.gz WXHQVFPXMLFHKH-UHFFFAOYSA-N 0 3 252.361 3.695 20 30 CHEDHN CN(Cc1ccc(C#N)cc1Cl)C1Cc2ccccc2C1 ZINC000439441188 1122779775 /nfs/dbraw/zinc/77/97/75/1122779775.db2.gz PRVVQHHZRCJUJY-UHFFFAOYSA-N 0 3 296.801 3.811 20 30 CHEDHN CCCCCCCCOC(=O)NC1CCN(C2CC2)CC1 ZINC001194752108 1122794882 /nfs/dbraw/zinc/79/48/82/1122794882.db2.gz DGNLBENETRGFPJ-UHFFFAOYSA-N 0 3 296.455 3.700 20 30 CHEDHN CCCCCCCCCOC(=O)N(C)C1CCN(C)CC1 ZINC001194910443 1122821252 /nfs/dbraw/zinc/82/12/52/1122821252.db2.gz QREOGLAQXHECRI-UHFFFAOYSA-N 0 3 298.471 3.900 20 30 CHEDHN CCCCCCCCCCOC(=O)NC1CCN(C)CC1 ZINC001194923037 1122823499 /nfs/dbraw/zinc/82/34/99/1122823499.db2.gz FULLTHCDAAYIJA-UHFFFAOYSA-N 0 3 298.471 3.948 20 30 CHEDHN CN(CC#Cc1ccccc1Cl)C1CC(C)(C)C1 ZINC001194994291 1122830447 /nfs/dbraw/zinc/83/04/47/1122830447.db2.gz UZMXTZMVKCDRCO-UHFFFAOYSA-N 0 3 261.796 3.812 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@H](O)C1CCCCC1 ZINC000473741820 1122884516 /nfs/dbraw/zinc/88/45/16/1122884516.db2.gz SEIUOLJFAWVJQT-INIZCTEOSA-N 0 3 279.449 3.677 20 30 CHEDHN C=CCC1(CNCc2nnc(C(C)C)s2)CCCC1 ZINC000894753049 1122902187 /nfs/dbraw/zinc/90/21/87/1122902187.db2.gz GMKZIIHHMUILIZ-UHFFFAOYSA-N 0 3 279.453 3.888 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccc(C#N)cc1 ZINC000266519945 1122937761 /nfs/dbraw/zinc/93/77/61/1122937761.db2.gz ZJMUYHKEDQFGKW-KGLIPLIRSA-N 0 3 292.382 3.905 20 30 CHEDHN C#CCN(CCSCC)[C@@H]1CCCc2ccccc21 ZINC001198103220 1122981865 /nfs/dbraw/zinc/98/18/65/1122981865.db2.gz FWSITLDACDYBGD-QGZVFWFLSA-N 0 3 273.445 3.752 20 30 CHEDHN C=CC[C@H]1CCN1CCOc1ccccc1C(F)(F)F ZINC001198489924 1122994365 /nfs/dbraw/zinc/99/43/65/1122994365.db2.gz GHYVFGHEKGTNEY-LBPRGKRZSA-N 0 3 285.309 3.735 20 30 CHEDHN CCCCCCCCNCc1cn2cccc(F)c2n1 ZINC001199021188 1123017626 /nfs/dbraw/zinc/01/76/26/1123017626.db2.gz DCKBEMWVBJAYBL-UHFFFAOYSA-N 0 3 277.387 3.924 20 30 CHEDHN CN(CC#Cc1ccc(OC(F)(F)F)cc1)CCC1CC1 ZINC000441244948 1123070440 /nfs/dbraw/zinc/07/04/40/1123070440.db2.gz LFPHLJMCLOXNEB-UHFFFAOYSA-N 0 3 297.320 3.669 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(F)cc1C#N ZINC000441464297 1123136482 /nfs/dbraw/zinc/13/64/82/1123136482.db2.gz AJNJTLAMNPDRFR-IIYDPXPESA-N 0 3 272.367 3.850 20 30 CHEDHN Cc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000850015442 1123237551 /nfs/dbraw/zinc/23/75/51/1123237551.db2.gz RPPDDUAQRQNEEB-UHFFFAOYSA-N 0 3 294.373 3.979 20 30 CHEDHN CC[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000850487498 1123274575 /nfs/dbraw/zinc/27/45/75/1123274575.db2.gz HHCGXAPIHSHWSV-KRWDZBQOSA-N 0 3 280.371 3.547 20 30 CHEDHN C=CCCSCCN[C@H](C)c1c(C)onc1CC ZINC000850503769 1123276206 /nfs/dbraw/zinc/27/62/06/1123276206.db2.gz MQACOFUOYPBBAN-LLVKDONJSA-N 0 3 268.426 3.505 20 30 CHEDHN Cc1ccc([C@@H](C)NCC2(C#N)CCCCC2)c(O)c1 ZINC000850552107 1123289975 /nfs/dbraw/zinc/28/99/75/1123289975.db2.gz WVOIKPWSTODCNN-CQSZACIVSA-N 0 3 272.392 3.825 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCCC2(CC2)C1)c1nc2ccccc2[nH]1 ZINC000850738538 1123297523 /nfs/dbraw/zinc/29/75/23/1123297523.db2.gz NAUGJYOSOPIXIL-OLZOCXBDSA-N 0 3 293.370 3.710 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)CCc1c(F)cccc1F ZINC000338933786 1123340326 /nfs/dbraw/zinc/34/03/26/1123340326.db2.gz LPEMHARQRSLUGJ-NEPJUHHUSA-N 0 3 266.335 3.568 20 30 CHEDHN C=C(Br)CNc1ccnc2ccccc21 ZINC000110307788 1123389606 /nfs/dbraw/zinc/38/96/06/1123389606.db2.gz GUFRJBBNXVDBHJ-UHFFFAOYSA-N 0 3 263.138 3.555 20 30 CHEDHN C#C[C@@](C)(CC)NCc1cccc(OCc2ccccn2)c1 ZINC000852105711 1123397532 /nfs/dbraw/zinc/39/75/32/1123397532.db2.gz ZISWZUOGQMVFSU-IBGZPJMESA-N 0 3 294.398 3.552 20 30 CHEDHN C[C@@H](c1ccccc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000335702452 1123412725 /nfs/dbraw/zinc/41/27/25/1123412725.db2.gz XFLMIJCTPUJTLM-INIZCTEOSA-N 0 3 291.398 3.700 20 30 CHEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc2c(c1)CCCO2 ZINC000853094804 1123423963 /nfs/dbraw/zinc/42/39/63/1123423963.db2.gz ODOMAVFROQDJIM-GFCCVEGCSA-N 0 3 298.411 3.796 20 30 CHEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(Cl)n1 ZINC000797604033 1123444163 /nfs/dbraw/zinc/44/41/63/1123444163.db2.gz FBYZOTQMCLETAC-INIZCTEOSA-N 0 3 297.789 3.692 20 30 CHEDHN C[C@@H]1C[C@H](C)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000443659164 1123465789 /nfs/dbraw/zinc/46/57/89/1123465789.db2.gz SYPNIEQYNQTCPY-CHWSQXEVSA-N 0 3 260.356 3.565 20 30 CHEDHN Cc1cc(C#N)ccc1CN1Cc2ccccc2[C@@H](C)C1 ZINC000776789435 1123506153 /nfs/dbraw/zinc/50/61/53/1123506153.db2.gz IZCBQAPYHKXPEO-HNNXBMFYSA-N 0 3 276.383 3.986 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000054183730 1123555766 /nfs/dbraw/zinc/55/57/66/1123555766.db2.gz YNAGZCKBOLIYMW-ZACQAIPSSA-N 0 3 256.393 3.995 20 30 CHEDHN C=CCCSCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857914950 1123626967 /nfs/dbraw/zinc/62/69/67/1123626967.db2.gz RJBAJNKWHIAKOM-GFCCVEGCSA-N 0 3 282.840 3.621 20 30 CHEDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2CCOCCC#N)o1 ZINC000339012656 1123669868 /nfs/dbraw/zinc/66/98/68/1123669868.db2.gz UIHRDFLFDHCIRD-HOCLYGCPSA-N 0 3 290.407 3.545 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1C#N ZINC000859275591 1123694490 /nfs/dbraw/zinc/69/44/90/1123694490.db2.gz PBIARGZLVBGVAD-GOSISDBHSA-N 0 3 292.382 3.740 20 30 CHEDHN C=CC[C@H](C)N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346620431 1123699148 /nfs/dbraw/zinc/69/91/48/1123699148.db2.gz IJFFVMFTJLYKBX-GUYCJALGSA-N 0 3 270.351 3.864 20 30 CHEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)C(F)(F)F ZINC000860482185 1123734768 /nfs/dbraw/zinc/73/47/68/1123734768.db2.gz AIMWJKKFEMLQJR-DTWKUNHWSA-N 0 3 296.248 3.593 20 30 CHEDHN N#Cc1c(F)cccc1CN[C@@H]1CCSC2(CCC2)C1 ZINC000896950344 1123792802 /nfs/dbraw/zinc/79/28/02/1123792802.db2.gz FJTTWDKOOXJIPR-CYBMUJFWSA-N 0 3 290.407 3.605 20 30 CHEDHN C#CC[C@H]1CCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000862444134 1123811132 /nfs/dbraw/zinc/81/11/32/1123811132.db2.gz YHFVKRWQNXYWON-NSHDSACASA-N 0 3 285.359 3.581 20 30 CHEDHN Cc1cc(-c2ccc([O-])cc2C#N)ccc1[C@@H]1CCC[NH2+]1 ZINC000863722726 1123893307 /nfs/dbraw/zinc/89/33/07/1123893307.db2.gz LAURHSUFTDJDLC-SFHVURJKSA-N 0 3 278.355 3.664 20 30 CHEDHN C[C@H](c1ccccc1)[C@H](C)NCc1cccc(F)c1C#N ZINC000428343364 1123895968 /nfs/dbraw/zinc/89/59/68/1123895968.db2.gz BGYSGWNIYWBEQE-KBPBESRZSA-N 0 3 282.362 3.979 20 30 CHEDHN C=CCCC(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000717918674 1129152818 /nfs/dbraw/zinc/15/28/18/1129152818.db2.gz HNFYQNAOVQZGBX-UHFFFAOYSA-N 0 3 283.799 3.889 20 30 CHEDHN CC(C)(C)[C@@H]1CCN(Cc2cccc(F)c2C#N)C1 ZINC000428358457 1124012403 /nfs/dbraw/zinc/01/24/03/1124012403.db2.gz HFQHSGATJZQJGA-CYBMUJFWSA-N 0 3 260.356 3.565 20 30 CHEDHN Cc1cc(C)cc(CN(C)Cc2ccc(F)c(C#N)c2)c1 ZINC000444688591 1124053229 /nfs/dbraw/zinc/05/32/29/1124053229.db2.gz CARSQAAFKDAZAG-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN C#Cc1cccc(CN[C@H](c2ccccn2)C(C)C)c1 ZINC000866369592 1124058394 /nfs/dbraw/zinc/05/83/94/1124058394.db2.gz MSWYFOCCIXBTFT-SFHVURJKSA-N 0 3 264.372 3.550 20 30 CHEDHN CC(C)(C)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)o1 ZINC000866573030 1124083920 /nfs/dbraw/zinc/08/39/20/1124083920.db2.gz FWMPWQZHLWYERF-STQMWFEESA-N 0 3 260.381 3.749 20 30 CHEDHN C=CCOCCN[C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000718011356 1129165528 /nfs/dbraw/zinc/16/55/28/1129165528.db2.gz MTSNDXRTYAFPQH-VIFPVBQESA-N 0 3 279.327 3.620 20 30 CHEDHN C=CCN(Cc1ccccc1C(F)(F)F)[C@H](C)COC ZINC000621317735 1129166952 /nfs/dbraw/zinc/16/69/52/1129166952.db2.gz WRMVUQNKYCJHDL-GFCCVEGCSA-N 0 3 287.325 3.728 20 30 CHEDHN C=CCCCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000448027403 1124555009 /nfs/dbraw/zinc/55/50/09/1124555009.db2.gz MUOLTMOSEUXGML-QGZVFWFLSA-N 0 3 270.351 3.866 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](C)c1nnc2ccccn21 ZINC000449067450 1124642280 /nfs/dbraw/zinc/64/22/80/1124642280.db2.gz LMOIIWMJIGCZEA-KBPBESRZSA-N 0 3 272.396 3.515 20 30 CHEDHN C=CCCCC[C@H](C)NCc1nccn1CC(C)C ZINC000449223816 1124673904 /nfs/dbraw/zinc/67/39/04/1124673904.db2.gz KMUCZNCWDWEJCK-HNNXBMFYSA-N 0 3 263.429 3.764 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000449239999 1124678927 /nfs/dbraw/zinc/67/89/27/1124678927.db2.gz XJDPHCJRWRRSDG-ZBFHGGJFSA-N 0 3 284.407 3.619 20 30 CHEDHN CCCCCCCNC(=S)Nc1ccc2c(c1)CNC2 ZINC001239343330 1131320792 /nfs/dbraw/zinc/32/07/92/1131320792.db2.gz OWLQJPHVTGCODM-UHFFFAOYSA-N 0 3 291.464 3.547 20 30 CHEDHN CCCCCCCNC(=S)Nc1cccc2c1CNC2 ZINC001239344864 1131320691 /nfs/dbraw/zinc/32/06/91/1131320691.db2.gz YYFWXGUVMJWTAG-UHFFFAOYSA-N 0 3 291.464 3.547 20 30 CHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)cccc1C(C)C ZINC000876547410 1124959662 /nfs/dbraw/zinc/95/96/62/1124959662.db2.gz SGODQEQOIPFOGV-ZDUSSCGKSA-N 0 3 280.799 3.527 20 30 CHEDHN Cc1ccccc1[C@@H]1CCCN1CC1(C#N)CCC1 ZINC000450270440 1124966566 /nfs/dbraw/zinc/96/65/66/1124966566.db2.gz RSWFARKJAGVLHK-INIZCTEOSA-N 0 3 254.377 3.826 20 30 CHEDHN N#CC1(CN(Cc2ccccc2)CC2CCOCC2)CCC1 ZINC000450386860 1125007959 /nfs/dbraw/zinc/00/79/59/1125007959.db2.gz FTMOWRLPXSYLMD-UHFFFAOYSA-N 0 3 298.430 3.609 20 30 CHEDHN CN(C/C=C/c1ccccc1)Cc1ccc(OCC#N)cc1 ZINC001137121529 1125036682 /nfs/dbraw/zinc/03/66/82/1125036682.db2.gz POFVKDAQSXKNBB-VMPITWQZSA-N 0 3 292.382 3.734 20 30 CHEDHN CC(C)(CCNCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877555675 1125044736 /nfs/dbraw/zinc/04/47/36/1125044736.db2.gz YQFNPJHENOKYDF-UHFFFAOYSA-N 0 3 277.799 3.523 20 30 CHEDHN C[C@@H](NCC1=CCCCC1)c1ccc(C#N)cc1F ZINC000450719625 1125088438 /nfs/dbraw/zinc/08/84/38/1125088438.db2.gz QNJAFSLSBTXRIW-GFCCVEGCSA-N 0 3 258.340 3.848 20 30 CHEDHN C[C@H](NC[C@@H]1CCCC1(F)F)c1ccc(C#N)cc1F ZINC000450718508 1125088705 /nfs/dbraw/zinc/08/87/05/1125088705.db2.gz NXWOTJPVQZGAPO-JQWIXIFHSA-N 0 3 282.309 3.783 20 30 CHEDHN CN(Cc1ccc(N2CCCCC2)cc1)CC1(CC#N)CC1 ZINC000877922104 1125102891 /nfs/dbraw/zinc/10/28/91/1125102891.db2.gz QFIRWXKLDCFORU-UHFFFAOYSA-N 0 3 297.446 3.803 20 30 CHEDHN CC[C@@H]1CCCCN1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877934063 1125104404 /nfs/dbraw/zinc/10/44/04/1125104404.db2.gz AMLSUHQNQBPRPR-MOPGFXCFSA-N 0 3 298.430 3.692 20 30 CHEDHN CC1(C#N)CCN(C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878389716 1125147756 /nfs/dbraw/zinc/14/77/56/1125147756.db2.gz RBSIUZCWXPFTES-MSOLQXFVSA-N 0 3 298.430 3.922 20 30 CHEDHN C#CCCCCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000879009878 1125191092 /nfs/dbraw/zinc/19/10/92/1125191092.db2.gz JQHHCRYOVPFVGA-MRXNPFEDSA-N 0 3 256.393 3.658 20 30 CHEDHN C[C@@H]1c2sccc2CCN1Cc1ccc(OCC#N)cc1 ZINC000880377632 1125270304 /nfs/dbraw/zinc/27/03/04/1125270304.db2.gz BFMUAADCHSTKHC-CYBMUJFWSA-N 0 3 298.411 3.770 20 30 CHEDHN C=CCCC[C@@H](NCc1cnc(C)nc1)c1ccccc1 ZINC000880389029 1125271021 /nfs/dbraw/zinc/27/10/21/1125271021.db2.gz PSSNSBYMCUDRKS-GOSISDBHSA-N 0 3 281.403 3.972 20 30 CHEDHN CCc1ccc(CN(Cc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000191224540 1125346542 /nfs/dbraw/zinc/34/65/42/1125346542.db2.gz GVIGSQUWBWBLDM-UHFFFAOYSA-N 0 3 293.414 3.624 20 30 CHEDHN C=CCC[C@@H](NCC1(C#N)CCCCC1)[C@@H]1CCCO1 ZINC000883236286 1125381954 /nfs/dbraw/zinc/38/19/54/1125381954.db2.gz YBMYUFJIZFFPBQ-CVEARBPZSA-N 0 3 276.424 3.564 20 30 CHEDHN COc1ccc(C2CC2)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000883265896 1125388350 /nfs/dbraw/zinc/38/83/50/1125388350.db2.gz NMHYBZDDAHGBBM-DYVFJYSZSA-N 0 3 284.403 3.745 20 30 CHEDHN CC(C)(CCC#N)CN[C@@H]1c2ccccc2CC[C@@H]1F ZINC000883382768 1125406609 /nfs/dbraw/zinc/40/66/09/1125406609.db2.gz MUSXWJSNDBCMNL-JKSUJKDBSA-N 0 3 274.383 3.932 20 30 CHEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000883393212 1125409082 /nfs/dbraw/zinc/40/90/82/1125409082.db2.gz YDXHNHTXBXNNOP-CRAIPNDOSA-N 0 3 296.414 3.726 20 30 CHEDHN CC1(C)Nc2ccccc2[C@@H]1NCc1ccc(C#N)cc1 ZINC000883464416 1125411112 /nfs/dbraw/zinc/41/11/12/1125411112.db2.gz MXFBCYJTWJUWEN-KRWDZBQOSA-N 0 3 277.371 3.593 20 30 CHEDHN Cc1csc(C(C#N)=C([O-])c2cccc(C)c2C)n1 ZINC000041520000 1125433471 /nfs/dbraw/zinc/43/34/71/1125433471.db2.gz LUABCEJMFCLHFC-ZDUSSCGKSA-N 0 3 270.357 3.558 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2cccc(C)c2C)n1 ZINC000041520000 1125433473 /nfs/dbraw/zinc/43/34/73/1125433473.db2.gz LUABCEJMFCLHFC-ZDUSSCGKSA-N 0 3 270.357 3.558 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccc(F)cc1F ZINC000348259220 1125447683 /nfs/dbraw/zinc/44/76/83/1125447683.db2.gz DJURXFPCHDPEQY-FZMZJTMJSA-N 0 3 266.335 3.568 20 30 CHEDHN N#CCCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385819 1125454446 /nfs/dbraw/zinc/45/44/46/1125454446.db2.gz SMKWBFXVQSGYEW-QGZVFWFLSA-N 0 3 267.376 3.999 20 30 CHEDHN C=CCN(CCc1ccco1)C[C@@H]1CCCC2(CCC2)O1 ZINC001307620442 1129277042 /nfs/dbraw/zinc/27/70/42/1129277042.db2.gz GXKVNFDVUYJHCX-KRWDZBQOSA-N 0 3 289.419 3.802 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC=CCC2)c([O-])c1 ZINC000735978851 1129361283 /nfs/dbraw/zinc/36/12/83/1129361283.db2.gz MYKJPDBSDVGFAK-QLENYVDCSA-N 0 3 272.392 3.766 20 30 CHEDHN C[C@H]1CCCCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000738225842 1129390781 /nfs/dbraw/zinc/39/07/81/1129390781.db2.gz VFGWYNSAEYBCDH-HNNXBMFYSA-N 0 3 294.402 3.644 20 30 CHEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cc(C)ccc1O ZINC000092504518 1129396857 /nfs/dbraw/zinc/39/68/57/1129396857.db2.gz GLUPTLWVUWXBEW-UHFFFAOYSA-N 0 3 292.382 3.761 20 30 CHEDHN CCCCCCCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000740875137 1129421872 /nfs/dbraw/zinc/42/18/72/1129421872.db2.gz HHYPLBKYQUWGLQ-KRWDZBQOSA-N 0 3 288.435 3.520 20 30 CHEDHN COc1ccc(CN[C@H]2C[C@@H](C)c3ccccc32)cc1C#N ZINC000742370314 1129474633 /nfs/dbraw/zinc/47/46/33/1129474633.db2.gz KLHYYZKQOSQCDI-ACJLOTCBSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CC[C@@H](C)NCc1c(Cl)nc2cc(Cl)ccn21 ZINC000796307749 1129529046 /nfs/dbraw/zinc/52/90/46/1129529046.db2.gz CXTNALYJKYBGMD-SECBINFHSA-N 0 3 284.190 3.695 20 30 CHEDHN Cc1nc2ccc(Nc3csc(C#N)c3)cc2[nH]1 ZINC001213073132 1129581766 /nfs/dbraw/zinc/58/17/66/1129581766.db2.gz FVTBXDFSGIGSSG-UHFFFAOYSA-N 0 3 254.318 3.548 20 30 CHEDHN C=C(CC)CNCc1c(Cl)ccc2cccnc21 ZINC000648840305 1129627944 /nfs/dbraw/zinc/62/79/44/1129627944.db2.gz WTDXHMDAJFQOIK-UHFFFAOYSA-N 0 3 260.768 3.944 20 30 CHEDHN C=C(Br)CN(C)[C@H]1CCCC[C@@H]1CC ZINC001169331195 1129718328 /nfs/dbraw/zinc/71/83/28/1129718328.db2.gz HMXIMEPEOFUXIA-RYUDHWBXSA-N 0 3 260.219 3.796 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2csc([C@@H](C)OC)n2)C1 ZINC000651727768 1129746168 /nfs/dbraw/zinc/74/61/68/1129746168.db2.gz AQSBISVXDNEULQ-UPJWGTAASA-N 0 3 280.437 3.685 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2c(F)cncc2F)C1 ZINC000651806597 1129748655 /nfs/dbraw/zinc/74/86/55/1129748655.db2.gz QBKXQYJRYYTGTC-IJLUTSLNSA-N 0 3 266.335 3.755 20 30 CHEDHN C#C[C@@H](C)N(C)Cc1ccc(-c2cccs2)cc1 ZINC001169843723 1129760459 /nfs/dbraw/zinc/76/04/59/1129760459.db2.gz IXCJWEOBYHCKBY-CYBMUJFWSA-N 0 3 255.386 3.869 20 30 CHEDHN C#CCCCN(Cc1ccco1)Cc1ccccc1 ZINC000766895882 1129768914 /nfs/dbraw/zinc/76/89/14/1129768914.db2.gz ULTUFVOZRUYMEV-UHFFFAOYSA-N 0 3 253.345 3.695 20 30 CHEDHN C#CCCCN(CC=C)Cc1ccc(Cl)s1 ZINC000766895826 1129768983 /nfs/dbraw/zinc/76/89/83/1129768983.db2.gz IUNJNYMQRZHRMS-UHFFFAOYSA-N 0 3 253.798 3.803 20 30 CHEDHN C#CCCCN1CCC[C@H]1c1cccc(Br)c1 ZINC000766896235 1129769199 /nfs/dbraw/zinc/76/91/99/1129769199.db2.gz YGQHURZPXVNYDY-HNNXBMFYSA-N 0 3 292.220 3.999 20 30 CHEDHN CC(C)CN(CCC#N)C[C@H]1C[C@@H]1c1ccccc1 ZINC000768154470 1129836042 /nfs/dbraw/zinc/83/60/42/1129836042.db2.gz UESJXODYIBMESP-IAGOWNOFSA-N 0 3 256.393 3.662 20 30 CHEDHN CCCCCCCOc1cccc(CN2CC[C@H](O)C2)c1 ZINC000768408632 1129854850 /nfs/dbraw/zinc/85/48/50/1129854850.db2.gz CLSCJZHEQBBIPZ-KRWDZBQOSA-N 0 3 291.435 3.602 20 30 CHEDHN C=CCN(Cc1c(C)nn(-c2ccccc2)c1C)C(C)C ZINC000768547965 1129863281 /nfs/dbraw/zinc/86/32/81/1129863281.db2.gz UTWWCMYPPXBNNW-UHFFFAOYSA-N 0 3 283.419 3.886 20 30 CHEDHN COc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)c(C#N)c1 ZINC001137704792 1131403832 /nfs/dbraw/zinc/40/38/32/1131403832.db2.gz VSWQIPJLVBROTR-CABCVRRESA-N 0 3 284.403 3.579 20 30 CHEDHN COc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c(C#N)c1 ZINC001137706294 1131404079 /nfs/dbraw/zinc/40/40/79/1131404079.db2.gz VSWQIPJLVBROTR-HUUCEWRRSA-N 0 3 284.403 3.579 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1ccc(OC)cc1C#N ZINC001137703106 1131404265 /nfs/dbraw/zinc/40/42/65/1131404265.db2.gz DPYKHBDHGNJCGH-INIZCTEOSA-N 0 3 272.392 3.721 20 30 CHEDHN C(#Cc1ccccc1)CNCc1cccc(-c2cccnc2)c1 ZINC000769396630 1129909940 /nfs/dbraw/zinc/90/99/40/1129909940.db2.gz PFLKHGFWJOHBSI-UHFFFAOYSA-N 0 3 298.389 3.890 20 30 CHEDHN C#C[C@H]1CCCN(Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137714641 1131406714 /nfs/dbraw/zinc/40/67/14/1131406714.db2.gz SJBAWOYJUMCULC-LBPRGKRZSA-N 0 3 272.779 3.667 20 30 CHEDHN C=CC[C@@H]1N(Cc2c(C)nn(C)c2Cl)CCCC1(C)C ZINC000769953779 1129931797 /nfs/dbraw/zinc/93/17/97/1129931797.db2.gz PRLFLXVYDKPUBY-AWEZNQCLSA-N 0 3 295.858 3.949 20 30 CHEDHN C[C@H](C#N)OCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000801932089 1129961482 /nfs/dbraw/zinc/96/14/82/1129961482.db2.gz GQGRUYQEWVJFNQ-KDOFPFPSSA-N 0 3 297.402 3.624 20 30 CHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cnccc2C)cc1 ZINC000771390926 1129979221 /nfs/dbraw/zinc/97/92/21/1129979221.db2.gz YWTXSBGYLFOTPT-HOTGVXAUSA-N 0 3 294.398 3.814 20 30 CHEDHN C=CC[C@@H](N[C@@H](C)c1cnccc1C)c1ccncc1 ZINC000772456603 1130023590 /nfs/dbraw/zinc/02/35/90/1130023590.db2.gz SCCYQGNGTVXQNL-WMLDXEAASA-N 0 3 267.376 3.753 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnc2ccccc2c1 ZINC000785617621 1130045817 /nfs/dbraw/zinc/04/58/17/1130045817.db2.gz QLVHTTFIHGGWEZ-HXUWFJFHSA-N 0 3 299.377 3.884 20 30 CHEDHN C[C@H](CN[C@H](C)c1cc(C#N)ccn1)Sc1ccccc1 ZINC000902821987 1130063389 /nfs/dbraw/zinc/06/33/89/1130063389.db2.gz OIZZGPLKPBIMNY-ZIAGYGMSSA-N 0 3 297.427 3.785 20 30 CHEDHN CC[C@H](NCc1cc(F)cc(OC)c1)c1cccc(C#N)c1 ZINC000902892372 1130080137 /nfs/dbraw/zinc/08/01/37/1130080137.db2.gz JQTHFAXIBONMFG-SFHVURJKSA-N 0 3 298.361 3.947 20 30 CHEDHN C=CCC[C@H](NCc1cnc(CC)o1)[C@]1(C)CCCCO1 ZINC000903012992 1130100333 /nfs/dbraw/zinc/10/03/33/1130100333.db2.gz WKIFAUUPUXOXPU-RDJZCZTQSA-N 0 3 292.423 3.621 20 30 CHEDHN CC[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cccc(C#N)c1 ZINC000903049755 1130104875 /nfs/dbraw/zinc/10/48/75/1130104875.db2.gz FVILKGBQKGJHCV-IPMKNSEASA-N 0 3 292.382 3.777 20 30 CHEDHN C=CCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000786578794 1130106893 /nfs/dbraw/zinc/10/68/93/1130106893.db2.gz NARJMNPMNWLNAV-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C=CCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000786578794 1130106896 /nfs/dbraw/zinc/10/68/96/1130106896.db2.gz NARJMNPMNWLNAV-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN CO[C@H](c1ccccc1)[C@@H](C)NCc1cc(C#N)ccc1F ZINC000786857997 1130120061 /nfs/dbraw/zinc/12/00/61/1130120061.db2.gz BWMQSJZLZHQTIH-ACJLOTCBSA-N 0 3 298.361 3.563 20 30 CHEDHN CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000787025532 1130125495 /nfs/dbraw/zinc/12/54/95/1130125495.db2.gz HBPUPMLMLIPELW-ROUUACIJSA-N 0 3 292.382 3.992 20 30 CHEDHN C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000787028177 1130125678 /nfs/dbraw/zinc/12/56/78/1130125678.db2.gz CAYAGENUPOTRDF-PXAZEXFGSA-N 0 3 278.355 3.602 20 30 CHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000787025377 1130125927 /nfs/dbraw/zinc/12/59/27/1130125927.db2.gz GGRPXYJDUAXLHN-ZBEGNZNMSA-N 0 3 297.789 3.945 20 30 CHEDHN C#CC(C)(C)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000787997182 1130167993 /nfs/dbraw/zinc/16/79/93/1130167993.db2.gz HKYORAIUATZUAN-UHFFFAOYSA-N 0 3 255.283 3.549 20 30 CHEDHN Cc1cc(C2=CCCN(Cc3ccccc3)C2)ncc1C#N ZINC001240383846 1130284715 /nfs/dbraw/zinc/28/47/15/1130284715.db2.gz GCAVSEFTUWDVMC-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN Cc1ccccc1-c1cccc(C=[NH+][N-]c2nccn2C)c1 ZINC000790305307 1130310081 /nfs/dbraw/zinc/31/00/81/1130310081.db2.gz JDFLHZPHWPZJBA-UHFFFAOYSA-N 0 3 290.370 3.842 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1n[nH]c2ccccc21 ZINC000678215353 1130371796 /nfs/dbraw/zinc/37/17/96/1130371796.db2.gz VTRYMQFVLILLGN-UHFFFAOYSA-N 0 3 291.398 3.794 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1[nH]nc2ccccc21 ZINC000678215353 1130371802 /nfs/dbraw/zinc/37/18/02/1130371802.db2.gz VTRYMQFVLILLGN-UHFFFAOYSA-N 0 3 291.398 3.794 20 30 CHEDHN C=CCN(CCOC)Cc1ccc(SC(F)F)cc1 ZINC000792192144 1130437841 /nfs/dbraw/zinc/43/78/41/1130437841.db2.gz DVNRTECXXWYBRA-UHFFFAOYSA-N 0 3 287.375 3.636 20 30 CHEDHN CC[C@](C)(NCC#Cc1ccccc1)c1ccccc1 ZINC000792270601 1130442535 /nfs/dbraw/zinc/44/25/35/1130442535.db2.gz FASNHNHKOCDDOM-IBGZPJMESA-N 0 3 263.384 3.953 20 30 CHEDHN CCC#C[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000678797036 1130456299 /nfs/dbraw/zinc/45/62/99/1130456299.db2.gz BUPLAEJWKFJUQR-CVEARBPZSA-N 0 3 270.420 3.739 20 30 CHEDHN N#Cc1ccc(CNc2ccncc2-c2ccccc2)s1 ZINC001170203694 1130463132 /nfs/dbraw/zinc/46/31/32/1130463132.db2.gz ZUSODHGQGBQNHX-UHFFFAOYSA-N 0 3 291.379 3.716 20 30 CHEDHN C[C@H](Cc1ccccc1Cl)NCC1(C#N)CCCC1 ZINC001170248558 1130472346 /nfs/dbraw/zinc/47/23/46/1130472346.db2.gz UQMANNXELYVFHC-CYBMUJFWSA-N 0 3 276.811 3.945 20 30 CHEDHN C[C@H](Cc1ccccc1Cl)N1CCC(C)(C#N)CC1 ZINC001170288736 1130480931 /nfs/dbraw/zinc/48/09/31/1130480931.db2.gz VDMABTBLAMYZSD-CYBMUJFWSA-N 0 3 276.811 3.897 20 30 CHEDHN C[C@@H](NN=C1CCCNc2ccccc21)C(C)(C)C ZINC000793113240 1130520601 /nfs/dbraw/zinc/52/06/01/1130520601.db2.gz BRBKKLSILJUYTH-GFCCVEGCSA-N 0 3 259.397 3.621 20 30 CHEDHN C=CCOCCN[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000679770182 1130556056 /nfs/dbraw/zinc/55/60/56/1130556056.db2.gz OSUXYMNRTILJCX-OAHLLOKOSA-N 0 3 285.790 3.968 20 30 CHEDHN Fc1ccc(/C=C\C=Nn2cnc3ccccc32)c(F)c1 ZINC000758100560 1130597095 /nfs/dbraw/zinc/59/70/95/1130597095.db2.gz STMZMAAZGODBSR-MTSIVMMLSA-N 0 3 283.281 3.862 20 30 CHEDHN C=CCN(Cc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000811456383 1130610361 /nfs/dbraw/zinc/61/03/61/1130610361.db2.gz NEJHWVHLYGWYDN-UHFFFAOYSA-N 0 3 282.309 3.973 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(C(F)(F)F)s2)C1 ZINC000758449228 1130612970 /nfs/dbraw/zinc/61/29/70/1130612970.db2.gz YIOQXIRGAVRRLE-RKDXNWHRSA-N 0 3 274.311 3.549 20 30 CHEDHN C#C[C@H](N[C@H](C)CC1CCOCC1)c1ccc(Cl)cc1 ZINC000811516053 1130615784 /nfs/dbraw/zinc/61/57/84/1130615784.db2.gz CNVCJQVPBJQXAE-DYVFJYSZSA-N 0 3 291.822 3.809 20 30 CHEDHN C#CCCOc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1 ZINC000811512325 1130618955 /nfs/dbraw/zinc/61/89/55/1130618955.db2.gz LYQSPQNSAGSFDL-CQSZACIVSA-N 0 3 293.357 3.566 20 30 CHEDHN C#CCN(C)Cc1ccc(N(C)c2ccccc2F)cc1 ZINC001234240702 1130622197 /nfs/dbraw/zinc/62/21/97/1130622197.db2.gz HBSYVPFPQHHFSX-UHFFFAOYSA-N 0 3 282.362 3.659 20 30 CHEDHN Cc1cccc(C(C)C)c1N=NC1C[C@H](C)N(C)C1 ZINC000812232321 1130675106 /nfs/dbraw/zinc/67/51/06/1130675106.db2.gz DGVVSDBGADILEY-ZDUSSCGKSA-N 0 3 259.397 3.610 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2c[nH]c(-c3ccccc3F)c2)CC1 ZINC001235041370 1130705065 /nfs/dbraw/zinc/70/50/65/1130705065.db2.gz COKDYWGBAFNTKL-CQSZACIVSA-N 0 3 297.377 3.946 20 30 CHEDHN C#C[C@@H](NC[C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000812792519 1130711905 /nfs/dbraw/zinc/71/19/05/1130711905.db2.gz BGFAJUASFAKQCF-MAUKXSAKSA-N 0 3 295.357 3.656 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC000781752174 1130738295 /nfs/dbraw/zinc/73/82/95/1130738295.db2.gz VIFBGDJDSQIPHR-STQMWFEESA-N 0 3 295.386 3.576 20 30 CHEDHN C=CCN(C)Cc1c(C)cc(Br)cc1C ZINC001235787299 1130777779 /nfs/dbraw/zinc/77/77/79/1130777779.db2.gz CRIYLVKCMLELPS-UHFFFAOYSA-N 0 3 268.198 3.684 20 30 CHEDHN C#C[C@H](N[C@@H](C)c1cc2ccccc2s1)[C@H]1CCCO1 ZINC000783294222 1130812946 /nfs/dbraw/zinc/81/29/46/1130812946.db2.gz IMXYESFKLVKWGR-AEGPPILISA-N 0 3 285.412 3.733 20 30 CHEDHN N#Cc1ccnc(-c2cccc(CN3CCCCC3)c2F)c1 ZINC001236003295 1130829622 /nfs/dbraw/zinc/82/96/22/1130829622.db2.gz WJPGNKXKUXKKJY-UHFFFAOYSA-N 0 3 295.361 3.745 20 30 CHEDHN N#CCCC[C@@H](NCc1ccoc1)c1ccccc1 ZINC000814303921 1130862800 /nfs/dbraw/zinc/86/28/00/1130862800.db2.gz CZIPIZGHFOYCPT-MRXNPFEDSA-N 0 3 254.333 3.804 20 30 CHEDHN Cc1cccc2c1CCN(Cc1ccc(CC#N)cc1)C2 ZINC000784148551 1130884986 /nfs/dbraw/zinc/88/49/86/1130884986.db2.gz ZFBRZNNSMSYLDA-UHFFFAOYSA-N 0 3 276.383 3.619 20 30 CHEDHN C=C(Cl)CN[C@H](C)CCc1ccc(F)cc1F ZINC000796818480 1130935424 /nfs/dbraw/zinc/93/54/24/1130935424.db2.gz OEUVXVMXNQWSCJ-SNVBAGLBSA-N 0 3 259.727 3.628 20 30 CHEDHN C[C@H](NN=C1CC[C@H]2CNc3cccc1c32)C(C)(C)C ZINC000814938692 1130939709 /nfs/dbraw/zinc/93/97/09/1130939709.db2.gz RWPCPTYVGMYKPZ-RYUDHWBXSA-N 0 3 271.408 3.718 20 30 CHEDHN CC[C@@H](SC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567426 1130994203 /nfs/dbraw/zinc/99/42/03/1130994203.db2.gz HUYRTJHTQCKDMR-VHSXEESVSA-N 0 3 296.461 3.758 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2cccc3occc32)C1 ZINC001236736248 1131003313 /nfs/dbraw/zinc/00/33/13/1131003313.db2.gz CNSHZPBCVFSSQR-CYBMUJFWSA-N 0 3 254.333 3.558 20 30 CHEDHN C=CCC[C@@H](CC)NCc1c(F)cc(F)cc1F ZINC000815650349 1131017736 /nfs/dbraw/zinc/01/77/36/1131017736.db2.gz PDTWWDIOLVHCHK-LLVKDONJSA-N 0 3 257.299 3.938 20 30 CHEDHN C#CCN(Cc1cn(C(C)C)nc1C)C1CCCCC1 ZINC000798941900 1131062987 /nfs/dbraw/zinc/06/29/87/1131062987.db2.gz KRWIYOTUNWFMQH-UHFFFAOYSA-N 0 3 273.424 3.540 20 30 CHEDHN C#CC1CCN(Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001237271485 1131074732 /nfs/dbraw/zinc/07/47/32/1131074732.db2.gz CWZLXAJOSQQVJK-UHFFFAOYSA-N 0 3 284.790 3.733 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC001170836343 1131114735 /nfs/dbraw/zinc/11/47/35/1131114735.db2.gz QQGSCSHFIAVQCL-MSOLQXFVSA-N 0 3 298.430 3.565 20 30 CHEDHN C#CC1CCN(Cc2ccc(Cl)c(CC)c2)CC1 ZINC001237740912 1131135992 /nfs/dbraw/zinc/13/59/92/1131135992.db2.gz ZOBAUSPPUIQVMO-UHFFFAOYSA-N 0 3 261.796 3.748 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC001237752267 1131140001 /nfs/dbraw/zinc/14/00/01/1131140001.db2.gz UFADGCIJVPEDIK-ZBFHGGJFSA-N 0 3 274.795 3.976 20 30 CHEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001116642909 1131159014 /nfs/dbraw/zinc/15/90/14/1131159014.db2.gz DNDNDOVLAHYLJZ-KOLCDFICSA-N 0 3 274.191 3.845 20 30 CHEDHN C=C(Br)CNC1CC2(C1)CCCCC2 ZINC000817407582 1131159307 /nfs/dbraw/zinc/15/93/07/1131159307.db2.gz UYJMAGFBIUJJOK-UHFFFAOYSA-N 0 3 258.203 3.598 20 30 CHEDHN N#CCC1CCN(Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238511748 1131210572 /nfs/dbraw/zinc/21/05/72/1131210572.db2.gz MRVMMCWIBPCNQK-UHFFFAOYSA-N 0 3 272.367 3.829 20 30 CHEDHN C#CCN(C)Cc1ccc(F)c(-c2ccccc2)c1 ZINC001238551546 1131215112 /nfs/dbraw/zinc/21/51/12/1131215112.db2.gz MDXNWGVRYSLBAX-UHFFFAOYSA-N 0 3 253.320 3.558 20 30 CHEDHN Cc1cc(CN2CCC(S)CC2)cnc1-c1ccccc1 ZINC001238614729 1131221619 /nfs/dbraw/zinc/22/16/19/1131221619.db2.gz KIPRKYMXUAGQKM-UHFFFAOYSA-N 0 3 298.455 3.951 20 30 CHEDHN C=CCN(CC=C)Cc1cc(OC)ccc1-c1ccncc1 ZINC001238650025 1131226673 /nfs/dbraw/zinc/22/66/73/1131226673.db2.gz IRFDLDKPXDVUOY-UHFFFAOYSA-N 0 3 294.398 3.931 20 30 CHEDHN C=CCC1(C(=O)N[C@H](C)CN2CCCCC2)CCCCC1 ZINC001136188769 1131229871 /nfs/dbraw/zinc/22/98/71/1131229871.db2.gz VYZYBHOMTRQTPL-MRXNPFEDSA-N 0 3 292.467 3.504 20 30 CHEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CC)CCCCC1 ZINC001136755159 1131435307 /nfs/dbraw/zinc/43/53/07/1131435307.db2.gz NZPNFSDQYDPICX-MRXNPFEDSA-N 0 3 292.467 3.504 20 30 CHEDHN C#CCN(C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136946359 1131485841 /nfs/dbraw/zinc/48/58/41/1131485841.db2.gz WUJTYENGRAPWAZ-UHFFFAOYSA-N 0 3 286.378 3.967 20 30 CHEDHN Cc1c2ccccc2[nH]c1CN1CCC[C@@H](CC#N)C1 ZINC001138401536 1131499246 /nfs/dbraw/zinc/49/92/46/1131499246.db2.gz IJCYAWANTNZHDW-AWEZNQCLSA-N 0 3 267.376 3.602 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000825226761 1131503495 /nfs/dbraw/zinc/50/34/95/1131503495.db2.gz LQRDETPMHJQCAS-IBGZPJMESA-N 0 3 293.435 3.788 20 30 CHEDHN CCOc1ccc(CN2CCC[C@@H](C#N)CC2)c(C)c1 ZINC001138434955 1131504856 /nfs/dbraw/zinc/50/48/56/1131504856.db2.gz DHTCIFNXYFEEID-OAHLLOKOSA-N 0 3 272.392 3.519 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCCC[C@@H]2CCOC)c1[O-] ZINC001138629297 1131529618 /nfs/dbraw/zinc/52/96/18/1131529618.db2.gz UCBIQSOOIYOYLP-QGZVFWFLSA-N 0 3 289.419 3.512 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@@H]2CCOC)c1[O-] ZINC001138629297 1131529622 /nfs/dbraw/zinc/52/96/22/1131529622.db2.gz UCBIQSOOIYOYLP-QGZVFWFLSA-N 0 3 289.419 3.512 20 30 CHEDHN C=CCc1cccc(CN2CCOc3ccccc3C2)c1O ZINC001138629396 1131529901 /nfs/dbraw/zinc/52/99/01/1131529901.db2.gz XHNIQCXLWRXQGT-UHFFFAOYSA-N 0 3 295.382 3.515 20 30 CHEDHN Cc1c(CN2CCC(S)CC2)cccc1C(F)(F)F ZINC001143930043 1131553088 /nfs/dbraw/zinc/55/30/88/1131553088.db2.gz IYWQBNOSAAQLIP-UHFFFAOYSA-N 0 3 289.366 3.908 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138834225 1131554947 /nfs/dbraw/zinc/55/49/47/1131554947.db2.gz XQLLNRHVFWVZHD-GFCCVEGCSA-N 0 3 272.779 3.667 20 30 CHEDHN CCCCOc1cccc(CN2CCC[C@H](C#N)CC2)c1 ZINC001138956781 1131564839 /nfs/dbraw/zinc/56/48/39/1131564839.db2.gz RQZOLKDDMVVCAE-INIZCTEOSA-N 0 3 286.419 3.991 20 30 CHEDHN CC(C)COc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001138971402 1131567225 /nfs/dbraw/zinc/56/72/25/1131567225.db2.gz KCGOEYJUYWBITG-MRXNPFEDSA-N 0 3 286.419 3.847 20 30 CHEDHN N#C[C@H]1CCCN(Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139519142 1131612199 /nfs/dbraw/zinc/61/21/99/1131612199.db2.gz NJIHDWPDJWZEMO-INIZCTEOSA-N 0 3 291.398 3.874 20 30 CHEDHN COc1ccc(CN2CCC(CC#N)CC2)cc1C(C)C ZINC001139618102 1131622343 /nfs/dbraw/zinc/62/23/43/1131622343.db2.gz KRYHVDROBQCOOM-UHFFFAOYSA-N 0 3 286.419 3.944 20 30 CHEDHN C=CCn1cc(CN2CCC3(CCCCC3)CC2)cn1 ZINC001139765431 1131635644 /nfs/dbraw/zinc/63/56/44/1131635644.db2.gz CRHOPIOSORWVOR-UHFFFAOYSA-N 0 3 273.424 3.615 20 30 CHEDHN N#Cc1cc(F)cc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001139876085 1131644129 /nfs/dbraw/zinc/64/41/29/1131644129.db2.gz KQIWFPOCKUPGGN-MRXNPFEDSA-N 0 3 298.336 3.826 20 30 CHEDHN CCCCCCCN(C)Cc1cnc(Cl)nc1 ZINC001139990279 1131655201 /nfs/dbraw/zinc/65/52/01/1131655201.db2.gz NVXMLOHZYDVAME-UHFFFAOYSA-N 0 3 255.793 3.532 20 30 CHEDHN C#Cc1ccc(CN2CCc3ccc(C)cc3C2)cc1 ZINC001144568359 1131661031 /nfs/dbraw/zinc/66/10/31/1131661031.db2.gz RVRPDVXNAWCCNW-UHFFFAOYSA-N 0 3 261.368 3.535 20 30 CHEDHN C#Cc1ccc(CN2CC=C(c3ccccc3)CC2)cc1 ZINC001144576852 1131662333 /nfs/dbraw/zinc/66/23/33/1131662333.db2.gz SVOLARLRADEYGK-UHFFFAOYSA-N 0 3 273.379 3.957 20 30 CHEDHN C[C@@]1(F)CCCCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110028 1131664556 /nfs/dbraw/zinc/66/45/56/1131664556.db2.gz DLBWIEUGMFAHFP-QGZVFWFLSA-N 0 3 285.366 3.754 20 30 CHEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)c(C)cc1O ZINC001140199907 1131676115 /nfs/dbraw/zinc/67/61/15/1131676115.db2.gz HQDYGDQQKFZSGE-UHFFFAOYSA-N 0 3 280.371 3.513 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC001171220880 1131706529 /nfs/dbraw/zinc/70/65/29/1131706529.db2.gz FGIOVQBKTDJXPL-SWLSCSKDSA-N 0 3 296.336 3.764 20 30 CHEDHN C#Cc1cccc(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])c1 ZINC000834902553 1131724823 /nfs/dbraw/zinc/72/48/23/1131724823.db2.gz JJDUALBVPFBDMQ-GOSISDBHSA-N 0 3 279.383 3.923 20 30 CHEDHN N#CC(C(=O)C[C@@H]1CC[C@H]2C[C@H]21)c1ccc2ccccc2n1 ZINC000835041031 1131762747 /nfs/dbraw/zinc/76/27/47/1131762747.db2.gz IPSGWPASIPSZSI-JONQDZQNSA-N 0 3 290.366 3.847 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(Cl)c3cccnc23)C1 ZINC000847021862 1131772958 /nfs/dbraw/zinc/77/29/58/1131772958.db2.gz CADCNNFOHBLRPO-CYBMUJFWSA-N 0 3 284.790 3.733 20 30 CHEDHN C#CCOc1ccccc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000772987303 1131844947 /nfs/dbraw/zinc/84/49/47/1131844947.db2.gz IFQJRLIRLATKFT-MGPUTAFESA-N 0 3 291.394 3.722 20 30 CHEDHN COc1ccc(CN(C)Cc2ccc(C#N)cc2)c(C)c1 ZINC001140678152 1131856238 /nfs/dbraw/zinc/85/62/38/1131856238.db2.gz RLVDHTQDHQCZSY-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2ccc(-c3ccccn3)s2)CC1 ZINC001141001890 1131982112 /nfs/dbraw/zinc/98/21/12/1131982112.db2.gz FXJPOKXCEQJNPO-CQSZACIVSA-N 0 3 297.427 3.936 20 30 CHEDHN C[C@H]1CC[C@H](N(C)Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141116261 1132022562 /nfs/dbraw/zinc/02/25/62/1132022562.db2.gz VMTZZLKFMQWHGO-MGCOHNPYSA-N 0 3 297.855 3.866 20 30 CHEDHN C#CC[C@H]1CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC001171490480 1132037724 /nfs/dbraw/zinc/03/77/24/1132037724.db2.gz OUYBSKBHEIHDIB-OLZOCXBDSA-N 0 3 263.331 3.761 20 30 CHEDHN C=CC[C@H](Oc1ccc(C(=O)CCN(C)C)cc1)C(C)C ZINC001229302203 1132050494 /nfs/dbraw/zinc/05/04/94/1132050494.db2.gz GRCZAHOWNGTFIZ-SFHVURJKSA-N 0 3 289.419 3.801 20 30 CHEDHN C=C[C@H](CCC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301700 1132050800 /nfs/dbraw/zinc/05/08/00/1132050800.db2.gz BDAYMJGELHPBOK-OAHLLOKOSA-N 0 3 275.392 3.555 20 30 CHEDHN C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001172302252 1132152729 /nfs/dbraw/zinc/15/27/29/1132152729.db2.gz HHOYNFNXGAGIKA-KGLIPLIRSA-N 0 3 280.371 3.546 20 30 CHEDHN CC[C@H](C)OCC[C@H](C)N(CCC#N)C1CCCC1 ZINC001172338836 1132176722 /nfs/dbraw/zinc/17/67/22/1132176722.db2.gz CXYRUPGIHQXNKA-GJZGRUSLSA-N 0 3 266.429 3.738 20 30 CHEDHN CCCCN(CCC#N)[C@@H](C)CCO[C@H](C)CC ZINC001172343778 1132179210 /nfs/dbraw/zinc/17/92/10/1132179210.db2.gz UYCSGALORHZQNY-LSDHHAIUSA-N 0 3 254.418 3.596 20 30 CHEDHN CCCCCCC[C@@H](CC)N1CC[C@@H](O)[C@@H](F)C1 ZINC001172357656 1132185754 /nfs/dbraw/zinc/18/57/54/1132185754.db2.gz LLWCFBNVINVYSB-QLFBSQMISA-N 0 3 259.409 3.530 20 30 CHEDHN CCCCCCC[C@@H](CC)N1CCN2CC[C@H]1C2 ZINC001172354347 1132183887 /nfs/dbraw/zinc/18/38/87/1132183887.db2.gz GXRGDQKDKDYOKP-CVEARBPZSA-N 0 3 252.446 3.515 20 30 CHEDHN CCCCCCC[C@@H](CC)NCc1cc2n(n1)CCCO2 ZINC001172355828 1132184586 /nfs/dbraw/zinc/18/45/86/1132184586.db2.gz DQMIYGHGBAEOIS-OAHLLOKOSA-N 0 3 293.455 3.894 20 30 CHEDHN CCCCCCC[C@@H](CC)N[C@@H](C(N)=O)c1ccccc1 ZINC001172359331 1132187391 /nfs/dbraw/zinc/18/73/91/1132187391.db2.gz VQRCBNNQSBSSCA-IAGOWNOFSA-N 0 3 290.451 3.942 20 30 CHEDHN CCN1CCC[C@@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230637679 1132202341 /nfs/dbraw/zinc/20/23/41/1132202341.db2.gz ZJWYFRJPOQYVPQ-OAHLLOKOSA-N 0 3 286.419 3.719 20 30 CHEDHN CCCCCCC[C@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172501661 1132251365 /nfs/dbraw/zinc/25/13/65/1132251365.db2.gz JGRWZORHOHYBON-CVEARBPZSA-N 0 3 295.471 3.617 20 30 CHEDHN C[C@@H](CCCC#N)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172506186 1132254247 /nfs/dbraw/zinc/25/42/47/1132254247.db2.gz PLRKXIYLEMKQEP-HNNXBMFYSA-N 0 3 299.393 3.765 20 30 CHEDHN CCCCCCCC[C@@H](CC)N1CCN(C(C)=O)CC1 ZINC001172504864 1132254506 /nfs/dbraw/zinc/25/45/06/1132254506.db2.gz HRDDFUCPHTWDLY-QGZVFWFLSA-N 0 3 282.472 3.680 20 30 CHEDHN CCCCCCC[C@H](CCC)N1CCC12COC2 ZINC001172510522 1132257500 /nfs/dbraw/zinc/25/75/00/1132257500.db2.gz DQXNRVBJPHSFAE-HNNXBMFYSA-N 0 3 253.430 3.990 20 30 CHEDHN N#C[C@H]1CCN([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172551471 1132263439 /nfs/dbraw/zinc/26/34/39/1132263439.db2.gz HKUNXOIDDAKZCA-OIISXLGYSA-N 0 3 254.377 3.558 20 30 CHEDHN N#C[C@H]1CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172551470 1132263964 /nfs/dbraw/zinc/26/39/64/1132263964.db2.gz HKUNXOIDDAKZCA-DJIMGWMZSA-N 0 3 254.377 3.558 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)CC#N)c([O-])c1 ZINC000840711244 1132274343 /nfs/dbraw/zinc/27/43/43/1132274343.db2.gz PUZSWRXTQOFPTP-XDHOZWIPSA-N 0 3 287.407 3.597 20 30 CHEDHN C(#Cc1ccccc1)c1ccc(CN2CCCC2)s1 ZINC001141972316 1132279877 /nfs/dbraw/zinc/27/98/77/1132279877.db2.gz GVISEDNKBDUMDJ-UHFFFAOYSA-N 0 3 267.397 3.744 20 30 CHEDHN Cc1c([C@H](C)NCC(C)(C)CC#N)cnn1-c1ccccc1 ZINC000840784518 1132286536 /nfs/dbraw/zinc/28/65/36/1132286536.db2.gz BPTPNRJAJSOAQH-AWEZNQCLSA-N 0 3 296.418 3.771 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC001231590346 1132319355 /nfs/dbraw/zinc/31/93/55/1132319355.db2.gz VJMXQPGSTRIHAZ-MKZZRHPPSA-N 0 3 292.382 3.812 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC001231590346 1132319357 /nfs/dbraw/zinc/31/93/57/1132319357.db2.gz VJMXQPGSTRIHAZ-MKZZRHPPSA-N 0 3 292.382 3.812 20 30 CHEDHN C=CCOc1cccc(CN2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001231621167 1132325983 /nfs/dbraw/zinc/32/59/83/1132325983.db2.gz SHDJFXHSPROGOR-OAHLLOKOSA-N 0 3 299.336 3.821 20 30 CHEDHN CCCC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC001231618932 1132326688 /nfs/dbraw/zinc/32/66/88/1132326688.db2.gz ZKSKPXITZCDMDB-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN C#Cc1cccc(CN(CC)Cc2cccs2)c1 ZINC001231661010 1132338433 /nfs/dbraw/zinc/33/84/33/1132338433.db2.gz MTDSBXJMUZNNJO-UHFFFAOYSA-N 0 3 255.386 3.752 20 30 CHEDHN C[C@H](Cc1c(F)cccc1Cl)NCc1cc(C#N)co1 ZINC001172849230 1132340054 /nfs/dbraw/zinc/34/00/54/1132340054.db2.gz KXEYTJOVDHTCCQ-SNVBAGLBSA-N 0 3 292.741 3.665 20 30 CHEDHN C[C@H](Cc1c(F)cccc1Cl)N1CCC(S)CC1 ZINC001172855477 1132342314 /nfs/dbraw/zinc/34/23/14/1132342314.db2.gz FFQKLYNVJCMDTQ-SNVBAGLBSA-N 0 3 287.831 3.804 20 30 CHEDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115452 1132423305 /nfs/dbraw/zinc/42/33/05/1132423305.db2.gz PJFMIENFQGSBDK-VXGBXAGGSA-N 0 3 262.784 3.690 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3cccnc3)C2)cc1Cl ZINC001232115053 1132423904 /nfs/dbraw/zinc/42/39/04/1132423904.db2.gz DNZQYIJLQOLMEW-MRXNPFEDSA-N 0 3 297.789 3.596 20 30 CHEDHN C[C@H]1C[C@H](C)CN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115450 1132424253 /nfs/dbraw/zinc/42/42/53/1132424253.db2.gz PJFMIENFQGSBDK-RYUDHWBXSA-N 0 3 262.784 3.690 20 30 CHEDHN C=CC[C@@H](C)NCc1cc(Br)cnc1Cl ZINC000842682931 1132451040 /nfs/dbraw/zinc/45/10/40/1132451040.db2.gz CZMRMIGFFQMDIO-MRVPVSSYSA-N 0 3 289.604 3.552 20 30 CHEDHN C=CCOC1CCC(NCc2c(F)ccc(C)c2F)CC1 ZINC001173312151 1132450791 /nfs/dbraw/zinc/45/07/91/1132450791.db2.gz VKMKIFKBIALKGJ-UHFFFAOYSA-N 0 3 295.373 3.877 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc(OC)nc1C ZINC001232335155 1132456829 /nfs/dbraw/zinc/45/68/29/1132456829.db2.gz RENOZYWZIBYHNN-UHFFFAOYSA-N 0 3 296.414 3.977 20 30 CHEDHN N#CCC1CCC(NCc2c(F)ccc(F)c2F)CC1 ZINC001173326025 1132461524 /nfs/dbraw/zinc/46/15/24/1132461524.db2.gz QJDPLOCZGJWTAK-UHFFFAOYSA-N 0 3 282.309 3.666 20 30 CHEDHN C[C@@H]([NH2+]C1CCC(CC#N)CC1)c1ccccc1[O-] ZINC001173328836 1132462383 /nfs/dbraw/zinc/46/23/83/1132462383.db2.gz PVCGWTRTIZQXPM-IYXRBSQSSA-N 0 3 258.365 3.515 20 30 CHEDHN COc1cc(F)c(CNC2CCC(CC#N)CC2)c(F)c1 ZINC001173329813 1132463547 /nfs/dbraw/zinc/46/35/47/1132463547.db2.gz NPTRDQOSRYSHMI-UHFFFAOYSA-N 0 3 294.345 3.535 20 30 CHEDHN Cc1cccc(CN2CCC(CC#N)CC2)c1OC(C)C ZINC001232391698 1132463732 /nfs/dbraw/zinc/46/37/32/1132463732.db2.gz PDCRLGLCOBIUCU-UHFFFAOYSA-N 0 3 286.419 3.908 20 30 CHEDHN C=CCOC1CCC([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001173317471 1132477352 /nfs/dbraw/zinc/47/73/52/1132477352.db2.gz YAOLGGLWVPUQEX-UHFFFAOYSA-N 0 3 289.419 3.612 20 30 CHEDHN Cc1ccc(F)c(CNC2CCC(C)(C#N)CC2)c1F ZINC001173584728 1132495437 /nfs/dbraw/zinc/49/54/37/1132495437.db2.gz IYSCADMYUJKXAM-UHFFFAOYSA-N 0 3 278.346 3.835 20 30 CHEDHN CC1(C#N)CCC(N2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001173594315 1132498701 /nfs/dbraw/zinc/49/87/01/1132498701.db2.gz YYWQHNBVGZWJQN-CPCZMJQVSA-N 0 3 274.330 3.528 20 30 CHEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2ncsc21 ZINC001232736336 1132511515 /nfs/dbraw/zinc/51/15/15/1132511515.db2.gz KCKLPYKEYKVZQO-UHFFFAOYSA-N 0 3 293.395 3.800 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC000843423610 1132532155 /nfs/dbraw/zinc/53/21/55/1132532155.db2.gz PEAWPCQXTBHMNQ-LLVKDONJSA-N 0 3 253.798 3.637 20 30 CHEDHN CC[C@H](c1ccccc1)N(C)Cc1cccc(C#N)n1 ZINC001232925265 1132544596 /nfs/dbraw/zinc/54/45/96/1132544596.db2.gz AGECPZOKBZVWGT-QGZVFWFLSA-N 0 3 265.360 3.536 20 30 CHEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1ccc(C)cc1C#N)C2 ZINC001232964879 1132549647 /nfs/dbraw/zinc/54/96/47/1132549647.db2.gz CQLUWTIVBIBZAG-MOPGFXCFSA-N 0 3 298.430 3.505 20 30 CHEDHN CC[C@H]1CCCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101611 1132571239 /nfs/dbraw/zinc/57/12/39/1132571239.db2.gz BCTZVBKWPTUSFZ-AWEZNQCLSA-N 0 3 289.398 3.528 20 30 CHEDHN Cc1csc(Nc2ccccc2CN(C)C)c1C#N ZINC001173927869 1132641545 /nfs/dbraw/zinc/64/15/45/1132641545.db2.gz RAWLHKSZQCJKQA-UHFFFAOYSA-N 0 3 271.389 3.733 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cc(C#N)cn1C(C)(C)C ZINC001173929481 1132642720 /nfs/dbraw/zinc/64/27/20/1132642720.db2.gz QYPSSOKABPPCRK-UHFFFAOYSA-N 0 3 296.418 3.920 20 30 CHEDHN C#CCOc1ccc(Nc2ccccc2CN(C)C)cc1 ZINC001173932634 1132646505 /nfs/dbraw/zinc/64/65/05/1132646505.db2.gz UKXTXXCPSZKMLE-UHFFFAOYSA-N 0 3 280.371 3.504 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cccc(CC#N)c1 ZINC001173932172 1132646519 /nfs/dbraw/zinc/64/65/19/1132646519.db2.gz PBZBILXFGJIWMI-UHFFFAOYSA-N 0 3 265.360 3.558 20 30 CHEDHN C=CCN(CC#Cc1ccc(Cl)cc1)C(C)(C)C ZINC001174642136 1132937851 /nfs/dbraw/zinc/93/78/51/1132937851.db2.gz RXEDCISJIJUUJZ-UHFFFAOYSA-N 0 3 261.796 3.978 20 30 CHEDHN Cc1cc(Nc2nc(-c3ccc(C#N)s3)cs2)ccn1 ZINC001174655192 1132951027 /nfs/dbraw/zinc/95/10/27/1132951027.db2.gz XCDMKMNYZJJJJC-UHFFFAOYSA-N 0 3 298.396 3.612 20 30 CHEDHN C=CCOc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001204303937 1133432065 /nfs/dbraw/zinc/43/20/65/1133432065.db2.gz USKDTJSXGCDQLV-UHFFFAOYSA-N 0 3 295.382 3.515 20 30 CHEDHN C=CCOc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001204303937 1133432067 /nfs/dbraw/zinc/43/20/67/1133432067.db2.gz USKDTJSXGCDQLV-UHFFFAOYSA-N 0 3 295.382 3.515 20 30 CHEDHN C#C[C@@H](N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(Cl)cc1 ZINC001206091197 1133655898 /nfs/dbraw/zinc/65/58/98/1133655898.db2.gz ILDMUHHWFCPCFY-ARLBYUKCSA-N 0 3 259.780 3.793 20 30 CHEDHN N#C[C@@H]1CCCN(CCc2cccc(Cl)c2)CC1 ZINC001207422704 1133799376 /nfs/dbraw/zinc/79/93/76/1133799376.db2.gz KMBMMYBHTVQHKA-CQSZACIVSA-N 0 3 262.784 3.508 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H](CO)c1cc(F)ccc1F ZINC001207793188 1133847464 /nfs/dbraw/zinc/84/74/64/1133847464.db2.gz DGOUPTPNJMTDCS-BLLLJJGKSA-N 0 3 283.362 3.723 20 30 CHEDHN Cc1ccc(CCCN(CCC#N)C2CCCC2)o1 ZINC001207947089 1133869004 /nfs/dbraw/zinc/86/90/04/1133869004.db2.gz CLOVPCGTLMKITP-UHFFFAOYSA-N 0 3 260.381 3.679 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN2C[C@@H]3COC[C@H](C2)C3(F)F)CC1 ZINC001208178178 1133898021 /nfs/dbraw/zinc/89/80/21/1133898021.db2.gz LZCJVDVJNHILGE-OAGGEKHMSA-N 0 3 297.389 3.503 20 30 CHEDHN C[C@@H](CN1CC(CC#N)C1)c1cccc2ccccc21 ZINC001208708653 1133934790 /nfs/dbraw/zinc/93/47/90/1133934790.db2.gz ZZFNJDRKGNTIKM-AWEZNQCLSA-N 0 3 264.372 3.789 20 30 CHEDHN N#Cc1cccc(CCCN2CCc3c(F)cccc3C2)c1 ZINC001208850836 1133951646 /nfs/dbraw/zinc/95/16/46/1133951646.db2.gz KURULTVSDQHEEH-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN N#CCCN(CCCc1ccc(C#N)cc1)C1CCCC1 ZINC001208858146 1133953566 /nfs/dbraw/zinc/95/35/66/1133953566.db2.gz JAGFIRGBMHCVKG-UHFFFAOYSA-N 0 3 281.403 3.649 20 30 CHEDHN C=CCCCN1CCSC[C@H]1c1ccc(F)cc1 ZINC001209160267 1133981757 /nfs/dbraw/zinc/98/17/57/1133981757.db2.gz MKHXPZMPMZHASV-HNNXBMFYSA-N 0 3 265.397 3.882 20 30 CHEDHN C=CCCCCN1CCN(c2nccc3ccccc32)CC1 ZINC001209205312 1133987250 /nfs/dbraw/zinc/98/72/50/1133987250.db2.gz VCPYUTMTWOBGPM-UHFFFAOYSA-N 0 3 295.430 3.713 20 30 CHEDHN C=CCCCCCN1CC(C)(CNC(=O)OC(C)(C)C)C1 ZINC001209432457 1134018823 /nfs/dbraw/zinc/01/88/23/1134018823.db2.gz FLJXQZLYQWJZPP-UHFFFAOYSA-N 0 3 296.455 3.579 20 30 CHEDHN C=CCCCCCCN1CCc2ncc(C)cc2C1 ZINC001209440508 1134019966 /nfs/dbraw/zinc/01/99/66/1134019966.db2.gz LMHRMCFJHAAWTN-UHFFFAOYSA-N 0 3 258.409 3.885 20 30 CHEDHN C=CCCCCCCN1CCN(c2cc(C)ccn2)CC1 ZINC001209436566 1134020075 /nfs/dbraw/zinc/02/00/75/1134020075.db2.gz VHPFGZREZVWAAT-UHFFFAOYSA-N 0 3 287.451 3.649 20 30 CHEDHN C=CCCCCCCCCN1C[C@H]2CC[C@@H]1CO2 ZINC001209445799 1134025173 /nfs/dbraw/zinc/02/51/73/1134025173.db2.gz OJBGQLYEEUCUKE-HZPDHXFCSA-N 0 3 251.414 3.766 20 30 CHEDHN N#Cc1cc(F)ccc1Nc1ccnc(C2CC2)c1 ZINC001210550451 1134246026 /nfs/dbraw/zinc/24/60/26/1134246026.db2.gz HLJWUDTWDPBTFY-UHFFFAOYSA-N 0 3 253.280 3.713 20 30 CHEDHN Cc1nc2ccc(Nc3cnc(C#N)c(Cl)c3)cc2[nH]1 ZINC001213072497 1134420686 /nfs/dbraw/zinc/42/06/86/1134420686.db2.gz WWWOHSHFDDZGBD-UHFFFAOYSA-N 0 3 283.722 3.535 20 30 CHEDHN N#Cc1ccc(Nc2ccnc(C3CCC3)c2)c(N)c1 ZINC001213354156 1134442737 /nfs/dbraw/zinc/44/27/37/1134442737.db2.gz XGQAZFKNYSYXHA-UHFFFAOYSA-N 0 3 264.332 3.547 20 30 CHEDHN CCCCCCC[C@@H](CCC)OC[C@H]1CNCCO1 ZINC001217896081 1135020492 /nfs/dbraw/zinc/02/04/92/1135020492.db2.gz HPUQEMZOGNRMSQ-HZPDHXFCSA-N 0 3 271.445 3.521 20 30 CHEDHN C=CCn1cc(-c2cccc(CN(CC)CC)c2F)cn1 ZINC001222409374 1135238275 /nfs/dbraw/zinc/23/82/75/1135238275.db2.gz XQBALHDULAAQDL-UHFFFAOYSA-N 0 3 287.382 3.717 20 30 CHEDHN C=CCn1cc(-c2ccc(F)c(CN(CC)CC)c2)cn1 ZINC001222409397 1135238899 /nfs/dbraw/zinc/23/88/99/1135238899.db2.gz YNKAUYYCQZFWSI-UHFFFAOYSA-N 0 3 287.382 3.717 20 30 CHEDHN CCCCCCCCC[C@H](C)OCCN1CCN(C)CC1 ZINC001224549353 1135459409 /nfs/dbraw/zinc/45/94/09/1135459409.db2.gz MMGUGDIFKTUNKB-SFHVURJKSA-N 0 3 298.515 3.780 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(F)cc1 ZINC000353618483 529625175 /nfs/dbraw/zinc/62/51/75/529625175.db2.gz GRHRRKZUBMUNHN-KRWDZBQOSA-N 0 3 298.361 3.947 20 30 CHEDHN CCc1cnccc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000344296366 529681968 /nfs/dbraw/zinc/68/19/68/529681968.db2.gz LVHLHKFXZHIOPE-KGLIPLIRSA-N 0 3 279.387 3.927 20 30 CHEDHN C=CCCCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000311610806 260255439 /nfs/dbraw/zinc/25/54/39/260255439.db2.gz JFHREZKBBWTDBL-ZDUSSCGKSA-N 0 3 263.381 3.711 20 30 CHEDHN COC[C@H](N[C@H](C)c1ccc(C#N)cc1Cl)C(C)C ZINC000574353424 335013181 /nfs/dbraw/zinc/01/31/81/335013181.db2.gz IOSSSMJYSPIPFM-ABAIWWIYSA-N 0 3 280.799 3.533 20 30 CHEDHN CC(C)(CCNC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000574667718 335038323 /nfs/dbraw/zinc/03/83/23/335038323.db2.gz OVWIXFQXOLBOFO-INIZCTEOSA-N 0 3 298.430 3.701 20 30 CHEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000574694700 335040433 /nfs/dbraw/zinc/04/04/33/335040433.db2.gz WQMKQSFLLOIHHB-BZSNNMDCSA-N 0 3 296.414 3.550 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000336157368 533522955 /nfs/dbraw/zinc/52/29/55/533522955.db2.gz AXXWYQCQGQWTMO-FZKQIMNGSA-N 0 3 277.371 3.681 20 30 CHEDHN CCC(CC)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000575127954 335070291 /nfs/dbraw/zinc/07/02/91/335070291.db2.gz VWOGNZGUXQOKTI-UHFFFAOYSA-N 0 3 287.363 3.619 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000343683794 224834723 /nfs/dbraw/zinc/83/47/23/224834723.db2.gz IFXJBBTVSDUNBB-CYBMUJFWSA-N 0 3 295.342 3.512 20 30 CHEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(C#N)c(C)c1 ZINC000334583019 225016924 /nfs/dbraw/zinc/01/69/24/225016924.db2.gz PLHSQSDAVACMOC-QGZVFWFLSA-N 0 3 294.402 3.544 20 30 CHEDHN CSCc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000353090431 228040027 /nfs/dbraw/zinc/04/00/27/228040027.db2.gz OWWKFSDKBRCNTL-UHFFFAOYSA-N 0 3 282.412 3.711 20 30 CHEDHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1ccc(C#N)c(F)c1 ZINC000335960448 228171432 /nfs/dbraw/zinc/17/14/32/228171432.db2.gz APPOOSNWKCKKPZ-GXFFZTMASA-N 0 3 282.309 3.926 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(OC)c(COCC)c1 ZINC000179527719 260053541 /nfs/dbraw/zinc/05/35/41/260053541.db2.gz VRQGGVHGQPABRT-UHFFFAOYSA-N 0 3 277.408 3.630 20 30 CHEDHN CC[C@@H](C)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000179695200 260064794 /nfs/dbraw/zinc/06/47/94/260064794.db2.gz YUSJZKAZMHNDPE-CQSZACIVSA-N 0 3 268.360 3.952 20 30 CHEDHN N#Cc1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000037505872 260113494 /nfs/dbraw/zinc/11/34/94/260113494.db2.gz BPBSKUMKSWVBKR-UHFFFAOYSA-N 0 3 290.288 3.867 20 30 CHEDHN N#Cc1cc(CN2CCC3(C2)CCCCC3)ccc1F ZINC000312488472 260119750 /nfs/dbraw/zinc/11/97/50/260119750.db2.gz IQSYXPLNJKUVMC-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)s1 ZINC000309506167 260172343 /nfs/dbraw/zinc/17/23/43/260172343.db2.gz BZAHBMZNMBKTHN-AEJSXWLSSA-N 0 3 254.786 3.744 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cc2c(s1)CCCC2 ZINC000222449926 260220374 /nfs/dbraw/zinc/22/03/74/260220374.db2.gz VYRMVENIGHBVMA-CYBMUJFWSA-N 0 3 279.449 3.870 20 30 CHEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000070981916 260271119 /nfs/dbraw/zinc/27/11/19/260271119.db2.gz IIXNFXFJZLJLLS-INIZCTEOSA-N 0 3 293.414 3.887 20 30 CHEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(CC#N)cc1 ZINC000517934826 260321036 /nfs/dbraw/zinc/32/10/36/260321036.db2.gz DDLLFWZDUUJOAB-SFHVURJKSA-N 0 3 292.382 3.538 20 30 CHEDHN Cc1csc(C2(NCCCCC#N)CCCC2)n1 ZINC000083215774 260346782 /nfs/dbraw/zinc/34/67/82/260346782.db2.gz WYLYSHDPWWMZCZ-UHFFFAOYSA-N 0 3 263.410 3.504 20 30 CHEDHN C=C[C@H](C)N[C@H](CC)c1cc(Cl)ccc1OC ZINC000358304176 260634433 /nfs/dbraw/zinc/63/44/33/260634433.db2.gz RDXBOYUAJBWZCY-GXFFZTMASA-N 0 3 253.773 3.964 20 30 CHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccccc2)n1 ZINC000155770880 261107491 /nfs/dbraw/zinc/10/74/91/261107491.db2.gz XUUVJULEKOEJEQ-LBPRGKRZSA-N 0 3 285.372 3.512 20 30 CHEDHN CCSCCN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000172385609 261153967 /nfs/dbraw/zinc/15/39/67/261153967.db2.gz CCOFLZSXWVULAM-ZDUSSCGKSA-N 0 3 262.422 3.694 20 30 CHEDHN C=CCSCCN[C@H](CC)c1ccccc1OC ZINC000180458046 261424172 /nfs/dbraw/zinc/42/41/72/261424172.db2.gz IVISXNBMFMOXAL-CQSZACIVSA-N 0 3 265.422 3.655 20 30 CHEDHN C[C@@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)o1 ZINC000185085625 262039744 /nfs/dbraw/zinc/03/97/44/262039744.db2.gz LHVNIZDOLVDOAW-ACJLOTCBSA-N 0 3 280.371 3.955 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OC3CCCC3)nc2)C1 ZINC000185784610 262070673 /nfs/dbraw/zinc/07/06/73/262070673.db2.gz FXMSMHDFINUJOB-ZBFHGGJFSA-N 0 3 299.418 3.575 20 30 CHEDHN C=CCC[C@H](NCCN1CCCCCC1)c1ccco1 ZINC000514086864 262172377 /nfs/dbraw/zinc/17/23/77/262172377.db2.gz DIKLWZZGRROTHF-INIZCTEOSA-N 0 3 276.424 3.753 20 30 CHEDHN COC[C@H](NCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000193688785 262225790 /nfs/dbraw/zinc/22/57/90/262225790.db2.gz RHKJRVTXIICDOP-HNNXBMFYSA-N 0 3 294.826 3.947 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1F ZINC000185862066 262310478 /nfs/dbraw/zinc/31/04/78/262310478.db2.gz SNCVRVAHKRAGRR-IPYPFGDCSA-N 0 3 260.356 3.867 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1CS[C@H](C(C)C)C1 ZINC000488424712 262318182 /nfs/dbraw/zinc/31/81/82/262318182.db2.gz DLFQFOTXADLYLM-WBVHZDCISA-N 0 3 291.460 3.871 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1ccccc1OC(F)F ZINC000414159383 262818801 /nfs/dbraw/zinc/81/88/01/262818801.db2.gz BHZHNLDMWMRYAH-LLVKDONJSA-N 0 3 282.334 3.878 20 30 CHEDHN N#CCCCCNCc1ccc(-c2ccccc2F)o1 ZINC000264040179 262859358 /nfs/dbraw/zinc/85/93/58/262859358.db2.gz IEXCQYWTHXTJOM-UHFFFAOYSA-N 0 3 272.323 3.869 20 30 CHEDHN CC1(C#N)CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000272415568 263004018 /nfs/dbraw/zinc/00/40/18/263004018.db2.gz CXYUPYCCQLAPJJ-UHFFFAOYSA-N 0 3 280.371 3.671 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2C(F)(F)F)C1 ZINC000274176175 263021629 /nfs/dbraw/zinc/02/16/29/263021629.db2.gz DBHMTXICXDZCRB-YPMHNXCESA-N 0 3 282.309 3.877 20 30 CHEDHN C[C@@H](NCc1cccc2cc[nH]c21)c1ccc(C#N)cc1 ZINC000218139685 263032528 /nfs/dbraw/zinc/03/25/28/263032528.db2.gz ZRIXNEZEUCXMIH-CYBMUJFWSA-N 0 3 275.355 3.890 20 30 CHEDHN COc1ccc2c(c1)[C@@H](NCCCC#N)CCCS2 ZINC000275740600 263034146 /nfs/dbraw/zinc/03/41/46/263034146.db2.gz QIRZGGWMVJEQKK-AWEZNQCLSA-N 0 3 276.405 3.516 20 30 CHEDHN Cc1ccc(C)c(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000278761274 263050567 /nfs/dbraw/zinc/05/05/67/263050567.db2.gz XVOARCDFFCCVRN-IRXDYDNUSA-N 0 3 298.430 3.839 20 30 CHEDHN COCC[C@H](NCCCCC(C)(C)C#N)c1ccco1 ZINC000278942484 263051945 /nfs/dbraw/zinc/05/19/45/263051945.db2.gz YEISRNOSHKGWPL-AWEZNQCLSA-N 0 3 278.396 3.667 20 30 CHEDHN CC(C)Oc1cccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000282026857 263073744 /nfs/dbraw/zinc/07/37/44/263073744.db2.gz SSKIQADHYBJAGU-SQWLQELKSA-N 0 3 272.392 3.817 20 30 CHEDHN CSc1ccccc1[C@@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000282664889 263077962 /nfs/dbraw/zinc/07/79/62/263077962.db2.gz ITKNOARTNQZQOF-UPJWGTAASA-N 0 3 260.406 3.751 20 30 CHEDHN COc1ccc([C@@H](C)NCCc2cccc(C#N)c2)c(F)c1 ZINC000467432145 263083274 /nfs/dbraw/zinc/08/32/74/263083274.db2.gz IWYKZIWSHGXJJV-CYBMUJFWSA-N 0 3 298.361 3.599 20 30 CHEDHN C=CCC[C@@H](NCc1cccnc1OCCC)C1CC1 ZINC000439066909 263097698 /nfs/dbraw/zinc/09/76/98/263097698.db2.gz DZWGPDYDXHALKH-MRXNPFEDSA-N 0 3 274.408 3.705 20 30 CHEDHN COc1ccc([C@@H](Cc2ccccc2)NCCCC#N)cc1 ZINC000290115143 263114772 /nfs/dbraw/zinc/11/47/72/263114772.db2.gz KDJGULMLSTXUHJ-LJQANCHMSA-N 0 3 294.398 3.872 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(F)c2ccccc21 ZINC000340361226 263119073 /nfs/dbraw/zinc/11/90/73/263119073.db2.gz NBFTWIPKJATESJ-LBPRGKRZSA-N 0 3 256.324 3.933 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(C2CC2)c1 ZINC000340378566 263121512 /nfs/dbraw/zinc/12/15/12/263121512.db2.gz ZPCRMMWBJQKJDL-CYBMUJFWSA-N 0 3 254.377 3.908 20 30 CHEDHN CN(Cc1cc2ccccc2o1)[C@@H]1CC[C@@H](C#N)C1 ZINC000292833123 263135634 /nfs/dbraw/zinc/13/56/34/263135634.db2.gz OYMAZXUAMMXXFR-TZMCWYRMSA-N 0 3 254.333 3.557 20 30 CHEDHN C[C@@H]1CN(CC(C)(C)CCC#N)Cc2ccccc2O1 ZINC000292884101 263136223 /nfs/dbraw/zinc/13/62/23/263136223.db2.gz YBIRCSYXZAMDJV-CQSZACIVSA-N 0 3 272.392 3.599 20 30 CHEDHN CN(CCOCCC#N)Cc1ccccc1-c1ccccc1 ZINC000293039405 263137304 /nfs/dbraw/zinc/13/73/04/263137304.db2.gz JQGMJTRNKKNTLT-UHFFFAOYSA-N 0 3 294.398 3.716 20 30 CHEDHN CCOc1ccc(C2=CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293715995 263147846 /nfs/dbraw/zinc/14/78/46/263147846.db2.gz FFNUANAALDWXHS-YJBOKZPZSA-N 0 3 296.414 3.867 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OC(F)F)c(F)c2)C1 ZINC000293840212 263150651 /nfs/dbraw/zinc/15/06/51/263150651.db2.gz XSCYEEXSAVRALX-ZYHUDNBSSA-N 0 3 298.308 3.599 20 30 CHEDHN CCCOc1ccc2c(c1)CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000293904190 263152042 /nfs/dbraw/zinc/15/20/42/263152042.db2.gz WHJMNKHFYZSVHL-RHSMWYFYSA-N 0 3 284.403 3.526 20 30 CHEDHN C[C@@H]1C[C@@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccccc2O1 ZINC000295112480 263172705 /nfs/dbraw/zinc/17/27/05/263172705.db2.gz VHEDKFITJXIDOF-HGTKMLMNSA-N 0 3 270.376 3.571 20 30 CHEDHN C[C@@H]1C[C@@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc2O1 ZINC000295112486 263172779 /nfs/dbraw/zinc/17/27/79/263172779.db2.gz VHEDKFITJXIDOF-ORIJERBGSA-N 0 3 270.376 3.571 20 30 CHEDHN CCn1cc([C@H](C)NCc2ccccc2C(C)(C)C#N)cn1 ZINC000295918805 263183713 /nfs/dbraw/zinc/18/37/13/263183713.db2.gz FFQLOLFVMSIISL-AWEZNQCLSA-N 0 3 296.418 3.555 20 30 CHEDHN C=CC(C)(C)CN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000453305107 263226361 /nfs/dbraw/zinc/22/63/61/263226361.db2.gz HBFGNOLVBGCXBM-NSHDSACASA-N 0 3 281.371 3.706 20 30 CHEDHN C[C@@H](NC[C@@H]1CCCC1(F)F)c1ccc(C#N)c(F)c1 ZINC000453312805 263227389 /nfs/dbraw/zinc/22/73/89/263227389.db2.gz CELPERCKMNFQTH-MFKMUULPSA-N 0 3 282.309 3.783 20 30 CHEDHN N#CCCCNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000299268800 263236673 /nfs/dbraw/zinc/23/66/73/263236673.db2.gz ALNCGKADORUYRC-UHFFFAOYSA-N 0 3 269.175 3.876 20 30 CHEDHN Cc1ccc(C)n1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000299566868 263247299 /nfs/dbraw/zinc/24/72/99/263247299.db2.gz SWPNXQXDACRBAL-UHFFFAOYSA-N 0 3 293.414 3.814 20 30 CHEDHN C=CCC1(CN[C@@H](C)c2nccn2CC)CCCC1 ZINC000453364403 263251583 /nfs/dbraw/zinc/25/15/83/263251583.db2.gz LBNBOZDTZNUSHP-AWEZNQCLSA-N 0 3 261.413 3.690 20 30 CHEDHN CC(C)Oc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 ZINC000299731809 263253732 /nfs/dbraw/zinc/25/37/32/263253732.db2.gz XKEPMBFOTBBREW-ZIAGYGMSSA-N 0 3 260.381 3.817 20 30 CHEDHN CCOc1ccc([C@H](C)N[C@H](C)CCC#N)cc1OCC ZINC000299722593 263253852 /nfs/dbraw/zinc/25/38/52/263253852.db2.gz STASBAHQVJAYTA-KGLIPLIRSA-N 0 3 290.407 3.827 20 30 CHEDHN CCOc1ccccc1[C@@H](CC)N[C@H](C)CCC#N ZINC000299727283 263253901 /nfs/dbraw/zinc/25/39/01/263253901.db2.gz VEMKRWMWHDLQKY-UKRRQHHQSA-N 0 3 260.381 3.818 20 30 CHEDHN C=C(C)COCCN[C@H](CCC)c1ccsc1 ZINC000187796162 263269137 /nfs/dbraw/zinc/26/91/37/263269137.db2.gz URYPERMTPYUZFO-CQSZACIVSA-N 0 3 253.411 3.772 20 30 CHEDHN C=CCC[C@H](NCc1ncc(CC)s1)C1CC1 ZINC000121424616 263294492 /nfs/dbraw/zinc/29/44/92/263294492.db2.gz SYFZITRVIMSZES-ZDUSSCGKSA-N 0 3 250.411 3.540 20 30 CHEDHN C=CCN[C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000342016781 263378824 /nfs/dbraw/zinc/37/88/24/263378824.db2.gz JYTMXLQOEXRSSB-CYBMUJFWSA-N 0 3 274.191 3.847 20 30 CHEDHN N#CCCCN[C@H](COCc1ccccc1)c1ccccc1 ZINC000341844915 263358793 /nfs/dbraw/zinc/35/87/93/263358793.db2.gz GPEZAGHDSOAEAP-LJQANCHMSA-N 0 3 294.398 3.838 20 30 CHEDHN C=CC[C@@H](CO)CN[C@H](CC)c1cc(Cl)ccc1OC ZINC000341878277 263362339 /nfs/dbraw/zinc/36/23/39/263362339.db2.gz MUZHVGXCHBIPPM-IUODEOHRSA-N 0 3 297.826 3.574 20 30 CHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(C(C)(C)C)n1 ZINC000280736202 264459796 /nfs/dbraw/zinc/45/97/96/264459796.db2.gz WJZJBNIPPKMDIY-GXTWGEPZSA-N 0 3 294.464 3.511 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCc1cnc3ccccc3c1)CC2 ZINC000353261115 266036451 /nfs/dbraw/zinc/03/64/51/266036451.db2.gz CEFGUXUZMMTXMN-HXUWFJFHSA-N 0 3 299.377 3.884 20 30 CHEDHN C[C@@H](C1CCC1)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000357025711 266235709 /nfs/dbraw/zinc/23/57/09/266235709.db2.gz BJUUGRYNPZURJS-NSHDSACASA-N 0 3 294.345 3.780 20 30 CHEDHN CC(C)(C#N)CCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000368827651 267207278 /nfs/dbraw/zinc/20/72/78/267207278.db2.gz YQTZHCLKMIDXEH-MRXNPFEDSA-N 0 3 278.440 3.597 20 30 CHEDHN CCCN(Cc1occc1C)Cc1ccc(C#N)cc1 ZINC000119270382 267314828 /nfs/dbraw/zinc/31/48/28/267314828.db2.gz JWERYCMYAMWKJI-UHFFFAOYSA-N 0 3 268.360 3.872 20 30 CHEDHN COc1ccsc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418151378 267375440 /nfs/dbraw/zinc/37/54/40/267375440.db2.gz XCCNBMQEGSZDIE-HNNXBMFYSA-N 0 3 298.411 3.796 20 30 CHEDHN Cc1n[nH]cc1C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000375394822 267856920 /nfs/dbraw/zinc/85/69/20/267856920.db2.gz VRSIHDPYGSFBTC-CQSZACIVSA-N 0 3 294.402 3.530 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000377075866 268045455 /nfs/dbraw/zinc/04/54/55/268045455.db2.gz DBQBFWIBAORNJK-DNVCBOLYSA-N 0 3 291.398 3.921 20 30 CHEDHN COc1ccc(Cl)cc1[C@@H](C)NCCCCC#N ZINC000178648678 327795305 /nfs/dbraw/zinc/79/53/05/327795305.db2.gz GYEYLBZZDYXQNA-LLVKDONJSA-N 0 3 266.772 3.693 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCSc3ccccc32)C1 ZINC000185753899 327844322 /nfs/dbraw/zinc/84/43/22/327844322.db2.gz NACJMVGYJKKVHQ-GUTXKFCHSA-N 0 3 272.417 3.895 20 30 CHEDHN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C#N)cc2)C1 ZINC000336520884 533701162 /nfs/dbraw/zinc/70/11/62/533701162.db2.gz KQOVVBFLCGBSJU-KDOFPFPSSA-N 0 3 277.371 3.536 20 30 CHEDHN Cc1ccc(OC(F)F)c(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185856692 327848240 /nfs/dbraw/zinc/84/82/40/327848240.db2.gz RTQDXNQDMVXILV-TZMCWYRMSA-N 0 3 294.345 3.768 20 30 CHEDHN Cc1ccc(OC(F)F)c(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185856676 327848283 /nfs/dbraw/zinc/84/82/83/327848283.db2.gz RTQDXNQDMVXILV-JSGCOSHPSA-N 0 3 294.345 3.768 20 30 CHEDHN C=C(C)COCCN[C@@H](CC)c1ccc(Cl)cc1 ZINC000125626507 327900912 /nfs/dbraw/zinc/90/09/12/327900912.db2.gz NUGMFICBQQPEBM-HNNXBMFYSA-N 0 3 267.800 3.973 20 30 CHEDHN C=C(CC)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000313503602 327924117 /nfs/dbraw/zinc/92/41/17/327924117.db2.gz UXWPIQJBIJHJSJ-LLVKDONJSA-N 0 3 255.308 3.905 20 30 CHEDHN CC[C@H](CNCc1cccc(C#N)c1)Oc1cccc(F)c1 ZINC000531478600 327941567 /nfs/dbraw/zinc/94/15/67/327941567.db2.gz SPBYXEGBMYRZPJ-QGZVFWFLSA-N 0 3 298.361 3.645 20 30 CHEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cccs1 ZINC000237501704 328007873 /nfs/dbraw/zinc/00/78/73/328007873.db2.gz USJATTBAIIWGII-CQSZACIVSA-N 0 3 299.443 3.949 20 30 CHEDHN C=C(CNCc1ccc(F)c(F)c1)c1ccccc1 ZINC000110057709 328031638 /nfs/dbraw/zinc/03/16/38/328031638.db2.gz PBEGBIZMWPIELM-UHFFFAOYSA-N 0 3 259.299 3.768 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CCC(=Cc3cccc(F)c3)CC2)C1 ZINC000563350598 328057191 /nfs/dbraw/zinc/05/71/91/328057191.db2.gz PGJFYEJEFYINHR-SJLPKXTDSA-N 0 3 284.378 3.997 20 30 CHEDHN N#CCCC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000571405447 328119936 /nfs/dbraw/zinc/11/99/36/328119936.db2.gz YGILMSLRXJICJV-QPJJXVBHSA-N 0 3 299.374 3.624 20 30 CHEDHN C=CCN(Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000271542171 328196739 /nfs/dbraw/zinc/19/67/39/328196739.db2.gz ZANUOQARECQXKF-UHFFFAOYSA-N 0 3 254.377 3.638 20 30 CHEDHN C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1C ZINC000437573445 328206576 /nfs/dbraw/zinc/20/65/76/328206576.db2.gz BISPHGWJLWXNNI-STQMWFEESA-N 0 3 297.320 3.667 20 30 CHEDHN CC(C)Oc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000274222179 328209724 /nfs/dbraw/zinc/20/97/24/328209724.db2.gz QENWCLULMYRSHR-GDBMZVCRSA-N 0 3 272.392 3.646 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC[C@@H]1c1ccc[nH]1 ZINC000277570937 328221626 /nfs/dbraw/zinc/22/16/26/328221626.db2.gz BIDRYWZLXSIBKA-OAHLLOKOSA-N 0 3 259.397 3.872 20 30 CHEDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000180243638 329218678 /nfs/dbraw/zinc/21/86/78/329218678.db2.gz QDVYSAAOOROQFF-NEPJUHHUSA-N 0 3 280.462 3.726 20 30 CHEDHN CSc1ccccc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000282235927 328241929 /nfs/dbraw/zinc/24/19/29/328241929.db2.gz ITKNOARTNQZQOF-XQQFMLRXSA-N 0 3 260.406 3.751 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000297940135 328295127 /nfs/dbraw/zinc/29/51/27/328295127.db2.gz AIBHGWYNBZTOFC-QWRGUYRKSA-N 0 3 286.297 3.928 20 30 CHEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1ccoc1)C(C)C ZINC000531940644 328325059 /nfs/dbraw/zinc/32/50/59/328325059.db2.gz CRKUIZHHKNYMDR-RDJZCZTQSA-N 0 3 276.424 3.629 20 30 CHEDHN CC1(C)CN(Cc2ccc(C#N)cc2)Cc2ccccc21 ZINC000534666720 328345369 /nfs/dbraw/zinc/34/53/69/328345369.db2.gz SJFDFNTVRTUTLZ-UHFFFAOYSA-N 0 3 276.383 3.852 20 30 CHEDHN C[C@@H](NCCCC(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000342301156 328418284 /nfs/dbraw/zinc/41/82/84/328418284.db2.gz ZGTHVJLXSPWMQW-GFCCVEGCSA-N 0 3 275.352 3.575 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1COc2ccccc2O1)c1ccco1 ZINC000556865777 326974927 /nfs/dbraw/zinc/97/49/27/326974927.db2.gz IIQMIRIQZCLREB-CABCVRRESA-N 0 3 299.370 3.717 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)N(CCN1CCCCCC1)C(C)C ZINC000557996481 327039127 /nfs/dbraw/zinc/03/91/27/327039127.db2.gz JIDQGLSKBIBQPO-KRWDZBQOSA-N 0 3 294.483 3.702 20 30 CHEDHN C=CCC[C@@H](N[C@H]1CSC1(C)C)c1ccco1 ZINC000584129265 327047390 /nfs/dbraw/zinc/04/73/90/327047390.db2.gz RQWBKJYAPSDFRM-YPMHNXCESA-N 0 3 251.395 3.771 20 30 CHEDHN CC[C@@H]1c2ccsc2CCN1CCCSCC#N ZINC000074981772 327122723 /nfs/dbraw/zinc/12/27/23/327122723.db2.gz NSWRQEIFAIBTBF-CYBMUJFWSA-N 0 3 280.462 3.704 20 30 CHEDHN C=CCCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000558826899 327123055 /nfs/dbraw/zinc/12/30/55/327123055.db2.gz OEKRJVJYWHTIJQ-AWEZNQCLSA-N 0 3 253.773 3.535 20 30 CHEDHN C=CCCCNCc1ccc(Br)cc1F ZINC000308830728 327131508 /nfs/dbraw/zinc/13/15/08/327131508.db2.gz TVRBBAYOUVWGIA-UHFFFAOYSA-N 0 3 272.161 3.644 20 30 CHEDHN C=CCCOCCNCc1ccc(C2CCC2)cc1 ZINC000559282314 327154414 /nfs/dbraw/zinc/15/44/14/327154414.db2.gz LTHPCCYCSRROPW-UHFFFAOYSA-N 0 3 259.393 3.636 20 30 CHEDHN CC1(C)CN(CC#Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000559432829 327244957 /nfs/dbraw/zinc/24/49/57/327244957.db2.gz XSXSOURZYZYIAG-IAGOWNOFSA-N 0 3 253.389 3.549 20 30 CHEDHN C=CCSCCN[C@@H]1CCSc2ccc(OC)cc21 ZINC000191529084 327251288 /nfs/dbraw/zinc/25/12/88/327251288.db2.gz RXYPYRJGWHUBCO-CQSZACIVSA-N 0 3 295.473 3.741 20 30 CHEDHN C=CCC[C@@H](N[C@H]1CC[C@@H](C(=O)OCC)C1)c1ccco1 ZINC000560537350 327320969 /nfs/dbraw/zinc/32/09/69/327320969.db2.gz JIKUQWIWGSIFSM-QLFBSQMISA-N 0 3 291.391 3.608 20 30 CHEDHN CC1(C)CC[C@H](CNC[C@H](C#N)CCC#N)c2ccccc21 ZINC000560597564 327329918 /nfs/dbraw/zinc/32/99/18/327329918.db2.gz IHUUNSMGOSPIHK-JKSUJKDBSA-N 0 3 295.430 3.875 20 30 CHEDHN CCCCN(Cc1nc(C#N)cs1)C1CCCCC1 ZINC000560630376 327332147 /nfs/dbraw/zinc/33/21/47/327332147.db2.gz ZBAZCQHOASHWEM-UHFFFAOYSA-N 0 3 277.437 3.950 20 30 CHEDHN C[C@H]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000237557219 327332693 /nfs/dbraw/zinc/33/26/93/327332693.db2.gz BNKUNGFEHVVLKB-SWLSCSKDSA-N 0 3 281.321 3.835 20 30 CHEDHN CC(C)Oc1cccc(CNCc2ccc(CC#N)cc2)c1 ZINC000570682103 327610726 /nfs/dbraw/zinc/61/07/26/327610726.db2.gz UFCUUFONIHQEIM-UHFFFAOYSA-N 0 3 294.398 3.830 20 30 CHEDHN C=CCC[C@@H](O)CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000535757911 328627026 /nfs/dbraw/zinc/62/70/26/328627026.db2.gz UIANYXPKEDJDIS-GOSISDBHSA-N 0 3 289.394 3.632 20 30 CHEDHN C=CCOc1cccc(CN2C[C@H](C)S[C@@H](C)C2)c1 ZINC000536655910 328676802 /nfs/dbraw/zinc/67/68/02/328676802.db2.gz YWPBTLAUXPOEOD-KBPBESRZSA-N 0 3 277.433 3.577 20 30 CHEDHN N#Cc1ccc(CNCCc2ccc(Cl)cc2)c(F)c1 ZINC000042336090 328763271 /nfs/dbraw/zinc/76/32/71/328763271.db2.gz WOINYCHOZFRIPE-UHFFFAOYSA-N 0 3 288.753 3.683 20 30 CHEDHN C=C(C)COCCNCc1ccc(-c2ccc(C)cc2)o1 ZINC000532393746 328775982 /nfs/dbraw/zinc/77/59/82/328775982.db2.gz MUSXPRREAFOMQB-UHFFFAOYSA-N 0 3 285.387 3.937 20 30 CHEDHN C[C@H](NCC12CCC(CC1)C2)c1ccc(C#N)cc1F ZINC000358589031 328888235 /nfs/dbraw/zinc/88/82/35/328888235.db2.gz MDMGRWITWQPJPT-POZPTJLLSA-N 0 3 272.367 3.928 20 30 CHEDHN N#CCC1(CN[C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000369708085 328945664 /nfs/dbraw/zinc/94/56/64/328945664.db2.gz ZBEVILZDMRJABX-HNNXBMFYSA-N 0 3 282.387 3.716 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000377404062 329014418 /nfs/dbraw/zinc/01/44/18/329014418.db2.gz YMCHQTXYFUAKEZ-RTBURBONSA-N 0 3 292.382 3.568 20 30 CHEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000193872058 329062370 /nfs/dbraw/zinc/06/23/70/329062370.db2.gz FTGLQSHLOVOQML-SFHVURJKSA-N 0 3 292.382 3.734 20 30 CHEDHN CCSCC[C@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000174039393 329153685 /nfs/dbraw/zinc/15/36/85/329153685.db2.gz JZFOEXXYBXWUHE-LBPRGKRZSA-N 0 3 280.412 3.661 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cnn(C(C)C)c1 ZINC000179618313 329210774 /nfs/dbraw/zinc/21/07/74/329210774.db2.gz GWFKQTDSVZACKZ-UHFFFAOYSA-N 0 3 283.419 3.695 20 30 CHEDHN FC(F)(F)c1ccc(C#CCNC2CC3(CCC3)C2)cc1 ZINC000459454275 329253489 /nfs/dbraw/zinc/25/34/89/329253489.db2.gz CXVCUDCKTVBXMK-UHFFFAOYSA-N 0 3 293.332 3.979 20 30 CHEDHN N#CCC1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000530336760 329331633 /nfs/dbraw/zinc/33/16/33/329331633.db2.gz RWYQRCXVIOECHJ-OWOJBTEDSA-N 0 3 274.795 3.979 20 30 CHEDHN CCC1(CC)CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000459595319 329340994 /nfs/dbraw/zinc/34/09/94/329340994.db2.gz LYHCPJLMWWORFO-UHFFFAOYSA-N 0 3 286.419 3.991 20 30 CHEDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cc(C#N)cs1 ZINC000459768560 329387639 /nfs/dbraw/zinc/38/76/39/329387639.db2.gz XMIVXPIWUWERTA-LBPRGKRZSA-N 0 3 288.391 3.822 20 30 CHEDHN C=CCCC[C@@H](C)NCc1nccn1-c1ccccc1 ZINC000191561948 329417495 /nfs/dbraw/zinc/41/74/95/329417495.db2.gz GNRYOQPGYGJVQH-OAHLLOKOSA-N 0 3 269.392 3.707 20 30 CHEDHN CC(C)Oc1ccc2nccc(N[C@@H]3CC[C@H](C#N)C3)c2c1 ZINC000425278814 329661048 /nfs/dbraw/zinc/66/10/48/329661048.db2.gz ZQMMFOYJXQVCFC-UONOGXRCSA-N 0 3 295.386 3.548 20 30 CHEDHN CCCc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000421349668 329815178 /nfs/dbraw/zinc/81/51/78/329815178.db2.gz JFDNUNDWWYAXTC-UHFFFAOYSA-N 0 3 270.401 3.862 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCc3sccc32)C1 ZINC000248830500 329900182 /nfs/dbraw/zinc/90/01/82/329900182.db2.gz HIZNBTUJCKCVQQ-YRGRVCCFSA-N 0 3 260.406 3.797 20 30 CHEDHN C#CC[C@H](NCc1cc(C)c(C)cc1O)c1ccccc1 ZINC000270167275 330073439 /nfs/dbraw/zinc/07/34/39/330073439.db2.gz GYUALOSBMRMYIV-SFHVURJKSA-N 0 3 279.383 3.863 20 30 CHEDHN C#CC[C@H]([NH2+]Cc1cc(C)c(C)cc1[O-])c1ccccc1 ZINC000270167275 330073440 /nfs/dbraw/zinc/07/34/40/330073440.db2.gz GYUALOSBMRMYIV-SFHVURJKSA-N 0 3 279.383 3.863 20 30 CHEDHN C#CC[C@@H](NCc1ccc(OC)c(C)c1)c1ccccc1 ZINC000270135377 330073689 /nfs/dbraw/zinc/07/36/89/330073689.db2.gz ABEUMPRRFWOMJL-GOSISDBHSA-N 0 3 279.383 3.858 20 30 CHEDHN C#CC[C@@H](NCc1cccc(OCC)c1O)c1ccccc1 ZINC000270187147 330073696 /nfs/dbraw/zinc/07/36/96/330073696.db2.gz KFVQENDNUSXIEF-QGZVFWFLSA-N 0 3 295.382 3.645 20 30 CHEDHN C#CCCCN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000271061425 330077762 /nfs/dbraw/zinc/07/77/62/330077762.db2.gz SODNQEOGJUXYPS-ZDUSSCGKSA-N 0 3 264.438 3.981 20 30 CHEDHN COc1ccc([C@@H](NCC2(CC#N)CC2)C2CC2)c(F)c1 ZINC000421851054 330087810 /nfs/dbraw/zinc/08/78/10/330087810.db2.gz FQITZPMTKPNEPO-INIZCTEOSA-N 0 3 288.366 3.569 20 30 CHEDHN C[C@@H](NCCCC#N)c1cc(Cl)cc(Cl)c1 ZINC000273171217 330090402 /nfs/dbraw/zinc/09/04/02/330090402.db2.gz BXFSWNJAXXRUGQ-SECBINFHSA-N 0 3 257.164 3.948 20 30 CHEDHN C#CCOc1ccccc1CN[C@H](C)c1cc(C)ccc1O ZINC000273521465 330096930 /nfs/dbraw/zinc/09/69/30/330096930.db2.gz UJKLTUIPYFRBCJ-OAHLLOKOSA-N 0 3 295.382 3.563 20 30 CHEDHN C=CCC[C@H](N[C@@H](C)Cc1cc(C)[nH]n1)c1ccco1 ZINC000278955987 330121126 /nfs/dbraw/zinc/12/11/26/330121126.db2.gz NJZAFVCAUTWXAR-WFASDCNBSA-N 0 3 273.380 3.539 20 30 CHEDHN C=CCC[C@H](N[C@@H](C)Cc1cc(C)n[nH]1)c1ccco1 ZINC000278955987 330121127 /nfs/dbraw/zinc/12/11/27/330121127.db2.gz NJZAFVCAUTWXAR-WFASDCNBSA-N 0 3 273.380 3.539 20 30 CHEDHN C=CCCCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000279040844 330121454 /nfs/dbraw/zinc/12/14/54/330121454.db2.gz XNZFKSFMVUPRRI-MRVPVSSYSA-N 0 3 264.316 3.779 20 30 CHEDHN C=CCC[C@H](CC)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279432380 330123363 /nfs/dbraw/zinc/12/33/63/330123363.db2.gz GSNKVULXFMPTCH-KGLIPLIRSA-N 0 3 299.422 3.571 20 30 CHEDHN C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279432382 330123415 /nfs/dbraw/zinc/12/34/15/330123415.db2.gz GSNKVULXFMPTCH-UONOGXRCSA-N 0 3 299.422 3.571 20 30 CHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(F)cc2)n1 ZINC000080450890 330130980 /nfs/dbraw/zinc/13/09/80/330130980.db2.gz HRXNRHBGWAJCPC-GFCCVEGCSA-N 0 3 288.347 3.896 20 30 CHEDHN CC(C)C[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000396894034 330228760 /nfs/dbraw/zinc/22/87/60/330228760.db2.gz YFQRJFKTIQEROK-OAHLLOKOSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCCC[C@H](C)N1CCc2nc(C(C)C)ncc2C1 ZINC000527620346 330265898 /nfs/dbraw/zinc/26/58/98/330265898.db2.gz QHBJKTWUTVJSKP-AWEZNQCLSA-N 0 3 273.424 3.703 20 30 CHEDHN C=CCCCN(C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000532980501 330324074 /nfs/dbraw/zinc/32/40/74/330324074.db2.gz MZDYIUQNAZDNLY-UHFFFAOYSA-N 0 3 275.436 3.670 20 30 CHEDHN C=CCCCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000533029579 330324877 /nfs/dbraw/zinc/32/48/77/330324877.db2.gz YUTROHAETCEIGN-GOSISDBHSA-N 0 3 294.398 3.922 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cnc(C3CCCC3)s2)C1 ZINC000424204263 330327255 /nfs/dbraw/zinc/32/72/55/330327255.db2.gz VDRFCMYUTSXBOA-YPMHNXCESA-N 0 3 275.421 3.583 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424316168 330339452 /nfs/dbraw/zinc/33/94/52/330339452.db2.gz AQYIBVKZBSQYBO-OWCLPIDISA-N 0 3 297.427 3.709 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000424320051 330339989 /nfs/dbraw/zinc/33/99/89/330339989.db2.gz FMHMXJIUINVDAF-ZOWXZIJZSA-N 0 3 290.794 3.836 20 30 CHEDHN COc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C(C)C)c(F)c1 ZINC000424330014 330341888 /nfs/dbraw/zinc/34/18/88/330341888.db2.gz PZHAEWMPSIOGSL-OGHNNQOOSA-N 0 3 290.382 3.813 20 30 CHEDHN Fc1ccc(C#CCN2CC[C@@H](c3ccccc3)C2)cc1 ZINC000533326136 330357520 /nfs/dbraw/zinc/35/75/20/330357520.db2.gz MNSPDCLELJUCNI-GOSISDBHSA-N 0 3 279.358 3.667 20 30 CHEDHN CCC(CC)N(Cc1cc(C#N)ccc1OC)C1CC1 ZINC000533332268 330358550 /nfs/dbraw/zinc/35/85/50/330358550.db2.gz WKGIUTVQHDXWHY-UHFFFAOYSA-N 0 3 272.392 3.720 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1cccc(Br)c1 ZINC000119362663 330373568 /nfs/dbraw/zinc/37/35/68/330373568.db2.gz UMGMZPBFEZDYGS-VHSXEESVSA-N 0 3 254.171 3.674 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1cccc(Br)c1 ZINC000119362505 330373656 /nfs/dbraw/zinc/37/36/56/330373656.db2.gz UMGMZPBFEZDYGS-ZJUUUORDSA-N 0 3 254.171 3.674 20 30 CHEDHN C=C(C)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000119650789 330378207 /nfs/dbraw/zinc/37/82/07/330378207.db2.gz BTUKMKOFPNMHAR-UHFFFAOYSA-N 0 3 272.304 3.521 20 30 CHEDHN C=C(C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000119656912 330378266 /nfs/dbraw/zinc/37/82/66/330378266.db2.gz YHUDPMGPHCNABK-UHFFFAOYSA-N 0 3 272.304 3.521 20 30 CHEDHN CC(C)(C#N)CCN1CCSC[C@H]1c1ccccc1 ZINC000119925824 330380305 /nfs/dbraw/zinc/38/03/05/330380305.db2.gz PSZCPDVAEMBVAU-HNNXBMFYSA-N 0 3 274.433 3.716 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)cc1Cl)C(C)(C)C ZINC000162813327 330388978 /nfs/dbraw/zinc/38/89/78/330388978.db2.gz BYJMWDIYUYZJNO-SNVBAGLBSA-N 0 3 250.773 3.736 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000120604430 330390478 /nfs/dbraw/zinc/39/04/78/330390478.db2.gz NNIYCZKGLRZYBB-JTQLQIEISA-N 0 3 284.197 3.684 20 30 CHEDHN C=CCCOCCNCc1ccc(Cl)c(Cl)c1 ZINC000120833420 330392774 /nfs/dbraw/zinc/39/27/74/330392774.db2.gz ZBGNFAZIUGJRTD-UHFFFAOYSA-N 0 3 274.191 3.676 20 30 CHEDHN C=CCCOCCN[C@@H](CC)c1cc(C)ccc1OC ZINC000090883657 330396585 /nfs/dbraw/zinc/39/65/85/330396585.db2.gz ZHZPOLNWMQAAGE-INIZCTEOSA-N 0 3 277.408 3.637 20 30 CHEDHN C=C(C)CN[C@H](COc1ccccc1)c1ccccc1 ZINC000537116699 330400094 /nfs/dbraw/zinc/40/00/94/330400094.db2.gz RARDTFFTIXKEIE-GOSISDBHSA-N 0 3 267.372 3.972 20 30 CHEDHN C=C(C)CN1CCC(NC(=O)CC2(C)CCCCC2)CC1 ZINC000122034941 330411823 /nfs/dbraw/zinc/41/18/23/330411823.db2.gz OLMCIKWYETWLOR-UHFFFAOYSA-N 0 3 292.467 3.504 20 30 CHEDHN N#Cc1cccc(CNCc2coc3ccccc23)c1 ZINC000083601915 330482133 /nfs/dbraw/zinc/48/21/33/330482133.db2.gz ONZPUDLGOPUSLK-UHFFFAOYSA-N 0 3 262.312 3.594 20 30 CHEDHN C[C@@H](N[C@H]1CC12CCCC2)c1ccc(C#N)c(F)c1 ZINC000429425322 330546076 /nfs/dbraw/zinc/54/60/76/330546076.db2.gz KXULVWDOLFZTBD-ABAIWWIYSA-N 0 3 258.340 3.681 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc2ccccc2n1 ZINC000430752378 330573183 /nfs/dbraw/zinc/57/31/83/330573183.db2.gz GEUJVGBVFJWKNN-ZDUSSCGKSA-N 0 3 265.360 3.579 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1 ZINC000438486314 330726190 /nfs/dbraw/zinc/72/61/90/330726190.db2.gz XVRJQHLKSIQTBF-ZDUSSCGKSA-N 0 3 270.298 3.625 20 30 CHEDHN C=CCC[C@H](NCc1cc(F)ccc1F)C1CC1 ZINC000439004835 330732175 /nfs/dbraw/zinc/73/21/75/330732175.db2.gz RVNOHWKGGQAUGW-HNNXBMFYSA-N 0 3 251.320 3.799 20 30 CHEDHN Cc1cc(CNCc2cc3ccccc3[nH]2)ccc1C#N ZINC000443958054 330807856 /nfs/dbraw/zinc/80/78/56/330807856.db2.gz KHWCWOWWKIRQII-UHFFFAOYSA-N 0 3 275.355 3.638 20 30 CHEDHN CC1(C)C[C@@H](NCC#Cc2cccc(Cl)c2)C(C)(C)O1 ZINC000444631635 330815683 /nfs/dbraw/zinc/81/56/83/330815683.db2.gz AMMRRXRZVLWLQJ-OAHLLOKOSA-N 0 3 291.822 3.627 20 30 CHEDHN CC[C@@H](NCc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447537941 330868857 /nfs/dbraw/zinc/86/88/57/330868857.db2.gz ZSJMZTCRDHUELH-QGZVFWFLSA-N 0 3 268.335 3.938 20 30 CHEDHN CC[C@@H](NCc1ccc2c(c1)COC2)c1ccc(C#N)cc1 ZINC000447589687 330872048 /nfs/dbraw/zinc/87/20/48/330872048.db2.gz YPRMTGFWCLXMLD-LJQANCHMSA-N 0 3 292.382 3.829 20 30 CHEDHN C=CC(C)(C)CNCc1cccc(OC)c1OC(C)C ZINC000449486216 330929969 /nfs/dbraw/zinc/92/99/69/330929969.db2.gz REPPUKCIKZPCGG-UHFFFAOYSA-N 0 3 277.408 3.784 20 30 CHEDHN C=CCC[C@@H](CCC)NCc1cnc(CCC)o1 ZINC000449612283 330939667 /nfs/dbraw/zinc/93/96/67/330939667.db2.gz KZGVTOSECJLAQO-CYBMUJFWSA-N 0 3 250.386 3.852 20 30 CHEDHN C=C(C)CCN1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451015062 331011707 /nfs/dbraw/zinc/01/17/07/331011707.db2.gz KHGCEIJREDMJRZ-MRXNPFEDSA-N 0 3 269.392 3.974 20 30 CHEDHN C=C(C)CCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451015062 331011708 /nfs/dbraw/zinc/01/17/08/331011708.db2.gz KHGCEIJREDMJRZ-MRXNPFEDSA-N 0 3 269.392 3.974 20 30 CHEDHN C=CCOCCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000451109233 331015737 /nfs/dbraw/zinc/01/57/37/331015737.db2.gz VFGUXSNEXBRZFA-NSHDSACASA-N 0 3 271.763 3.722 20 30 CHEDHN N#CCCCN1CCC(Cc2cccc(F)c2F)CC1 ZINC000451963532 331048365 /nfs/dbraw/zinc/04/83/65/331048365.db2.gz ZLZAGPBJJWXJMG-UHFFFAOYSA-N 0 3 278.346 3.523 20 30 CHEDHN C=CCSCCN[C@H](C)c1ccccc1SC ZINC000194920807 331077100 /nfs/dbraw/zinc/07/71/00/331077100.db2.gz ZWQBXEUJGZALLN-GFCCVEGCSA-N 0 3 267.463 3.978 20 30 CHEDHN C=CCCCC[C@@H](C)NC1(C(=O)Nc2ccccc2)CC1 ZINC000453196415 331100273 /nfs/dbraw/zinc/10/02/73/331100273.db2.gz KUVVTGNWEDUHQP-OAHLLOKOSA-N 0 3 286.419 3.882 20 30 CHEDHN CC[C@H](NCc1ccnc(C)c1)c1ccc(C#N)cc1 ZINC000453278993 331110355 /nfs/dbraw/zinc/11/03/55/331110355.db2.gz DGJNBVHPLLQKIR-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN C=CCC[C@H](NC[C@@](C)(CC)OC)c1ccco1 ZINC000453291875 331111970 /nfs/dbraw/zinc/11/19/70/331111970.db2.gz BZJWRSVNTORHEI-DZGCQCFKSA-N 0 3 251.370 3.692 20 30 CHEDHN C=CCC[C@H](NCC1(CF)CCOCC1)c1ccco1 ZINC000453303986 331113731 /nfs/dbraw/zinc/11/37/31/331113731.db2.gz FCGSQPSXBKUWII-AWEZNQCLSA-N 0 3 281.371 3.643 20 30 CHEDHN C=CCC1(CN[C@@H](C)c2cc(C)n(C)n2)CCCC1 ZINC000453336551 331118528 /nfs/dbraw/zinc/11/85/28/331118528.db2.gz AIRIWBZXGYMBSF-AWEZNQCLSA-N 0 3 261.413 3.516 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(Cl)c1 ZINC000453343641 331119571 /nfs/dbraw/zinc/11/95/71/331119571.db2.gz JEDPCZFOSIUVOT-DFBGVHRSSA-N 0 3 265.784 3.724 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2c(Cl)cccc21 ZINC000453345784 331119952 /nfs/dbraw/zinc/11/99/52/331119952.db2.gz GIFYMCJBSSTNTD-OAGGEKHMSA-N 0 3 277.795 3.651 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCSc2ccc(Cl)cc21 ZINC000453355297 331121525 /nfs/dbraw/zinc/12/15/25/331121525.db2.gz LDGVDUQRNFDCDS-MJBXVCDLSA-N 0 3 295.835 3.810 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1Cl ZINC000453365161 331123217 /nfs/dbraw/zinc/12/32/17/331123217.db2.gz SANITOLWIVTDFS-DFBGVHRSSA-N 0 3 265.784 3.724 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000453369284 331123742 /nfs/dbraw/zinc/12/37/42/331123742.db2.gz TUEKIDNJIPBMRQ-HOCLYGCPSA-N 0 3 285.387 3.924 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000453369660 331123902 /nfs/dbraw/zinc/12/39/02/331123902.db2.gz QZWWZOZICQWBGJ-GFCCVEGCSA-N 0 3 278.352 3.610 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H](CC)c1cc(Cl)ccc1OC ZINC000453376402 331124979 /nfs/dbraw/zinc/12/49/79/331124979.db2.gz XBNJABSWDRUFPF-ZFWWWQNUSA-N 0 3 297.826 3.716 20 30 CHEDHN C[C@@H](NCCOCC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000453385748 331126611 /nfs/dbraw/zinc/12/66/11/331126611.db2.gz DNWLJBTURXCFFS-CYBMUJFWSA-N 0 3 290.382 3.555 20 30 CHEDHN C=CCC1(CN[C@H]2C[C@@H](C)n3ccnc32)CCCC1 ZINC000453387896 331126881 /nfs/dbraw/zinc/12/68/81/331126881.db2.gz WESJGQPGRHXAKK-KGLIPLIRSA-N 0 3 259.397 3.615 20 30 CHEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458260807 331246633 /nfs/dbraw/zinc/24/66/33/331246633.db2.gz IJIJOKQTYNETOP-KRWDZBQOSA-N 0 3 274.408 3.597 20 30 CHEDHN Cc1cc2[nH]c(CNCC(C)(C)CC#N)cc2c(C)c1 ZINC000459725476 331294300 /nfs/dbraw/zinc/29/43/00/331294300.db2.gz CNIPGUPWEWLCKE-UHFFFAOYSA-N 0 3 269.392 3.814 20 30 CHEDHN CC(C)Oc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459697424 331294850 /nfs/dbraw/zinc/29/48/50/331294850.db2.gz PRPBFUGLPNGKJB-UHFFFAOYSA-N 0 3 260.381 3.503 20 30 CHEDHN CN(CC1(C#N)CCC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459714357 331295417 /nfs/dbraw/zinc/29/54/17/331295417.db2.gz VACSEJRTIXAQOG-IAGOWNOFSA-N 0 3 268.404 3.948 20 30 CHEDHN C=CCC[C@@H](CC)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459719856 331295588 /nfs/dbraw/zinc/29/55/88/331295588.db2.gz YGTVWCUHMODIQI-OSAQELSMSA-N 0 3 295.448 3.656 20 30 CHEDHN COc1cc(CNCC(C)(C)CC#N)cc2ccccc21 ZINC000459731615 331296576 /nfs/dbraw/zinc/29/65/76/331296576.db2.gz NTYVSJLOFPJTEK-UHFFFAOYSA-N 0 3 282.387 3.878 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(F)c(Cl)c1 ZINC000459737741 331297055 /nfs/dbraw/zinc/29/70/55/331297055.db2.gz WFMJPOJYHUMMJP-UHFFFAOYSA-N 0 3 254.736 3.509 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000462641995 331324506 /nfs/dbraw/zinc/32/45/06/331324506.db2.gz SQYWVYYIYVWSMG-JKSUJKDBSA-N 0 3 292.382 3.936 20 30 CHEDHN C[C@H](CNc1c(Cl)cccc1C#N)N1CCC[C@@H](C)C1 ZINC000462781262 331328770 /nfs/dbraw/zinc/32/87/70/331328770.db2.gz XRXBBBGOASOSCL-CHWSQXEVSA-N 0 3 291.826 3.744 20 30 CHEDHN C=CC[C@H](CC)NCc1coc(-c2ccccc2)n1 ZINC000466388483 331394509 /nfs/dbraw/zinc/39/45/09/331394509.db2.gz ZAFHFUWKIBHBFK-AWEZNQCLSA-N 0 3 256.349 3.786 20 30 CHEDHN C=CCOCCCNC1(c2ccc(F)cc2F)CCC1 ZINC000470770573 331490100 /nfs/dbraw/zinc/49/01/00/331490100.db2.gz CTWIHCHTGKWAFA-UHFFFAOYSA-N 0 3 281.346 3.526 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C2CCCCC2)CC1 ZINC000483492439 331877316 /nfs/dbraw/zinc/87/73/16/331877316.db2.gz UGSFPFKTZLOJOR-INIZCTEOSA-N 0 3 297.446 3.570 20 30 CHEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1Cl ZINC000489448027 332053205 /nfs/dbraw/zinc/05/32/05/332053205.db2.gz LLUHPAXMGFNMFU-CYBMUJFWSA-N 0 3 292.810 3.709 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOc1cccc(F)c1 ZINC000490108056 332081642 /nfs/dbraw/zinc/08/16/42/332081642.db2.gz OIIAMXDWGYJLLS-CQSZACIVSA-N 0 3 298.361 3.769 20 30 CHEDHN C=C(CN[C@H](CC)c1ccc(F)cn1)c1ccccc1 ZINC000490144890 332082725 /nfs/dbraw/zinc/08/27/25/332082725.db2.gz QZMWAPAAVJIHHD-MRXNPFEDSA-N 0 3 270.351 3.975 20 30 CHEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000491338316 332192414 /nfs/dbraw/zinc/19/24/14/332192414.db2.gz HUCMSCAKRBXDIG-LSDHHAIUSA-N 0 3 286.419 3.529 20 30 CHEDHN C=CCN(CCOc1ccc(F)cc1)CCc1ccco1 ZINC000491408630 332206845 /nfs/dbraw/zinc/20/68/45/332206845.db2.gz FOGHUZXGQQLSBX-UHFFFAOYSA-N 0 3 289.350 3.528 20 30 CHEDHN C#C[C@H](NC1CCC(C)(C#N)CC1)c1ccc(F)cc1 ZINC000491631753 332254299 /nfs/dbraw/zinc/25/42/99/332254299.db2.gz YWDTWFHNNKKXTK-CGZBRXJRSA-N 0 3 270.351 3.562 20 30 CHEDHN CC1(C)CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000492937893 332419230 /nfs/dbraw/zinc/41/92/30/332419230.db2.gz SGBYGZAURPKMBB-AWEZNQCLSA-N 0 3 294.345 3.828 20 30 CHEDHN C=CCCCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000494786875 332485565 /nfs/dbraw/zinc/48/55/65/332485565.db2.gz HMEFGCQZKDFKQL-HNNXBMFYSA-N 0 3 267.800 3.973 20 30 CHEDHN C=CC[C@H](CO)CN[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000495061410 332502645 /nfs/dbraw/zinc/50/26/45/332502645.db2.gz DAMUSWGFLWMWRX-PXNSSMCTSA-N 0 3 295.426 3.859 20 30 CHEDHN C=C(C)CNCc1ccc(-n2cnc3ccccc32)cc1 ZINC000512346958 332964269 /nfs/dbraw/zinc/96/42/69/332964269.db2.gz PXSWZEXMCIWPKB-UHFFFAOYSA-N 0 3 277.371 3.691 20 30 CHEDHN C=CCOc1ccc(CNCc2ccccc2N(C)C)cc1 ZINC000512502041 332971086 /nfs/dbraw/zinc/97/10/86/332971086.db2.gz UFEPMAGSICNVDE-UHFFFAOYSA-N 0 3 296.414 3.607 20 30 CHEDHN C=CC[C@H](C)NCc1ccc(OC)cc1Br ZINC000304613151 332973143 /nfs/dbraw/zinc/97/31/43/332973143.db2.gz WBZCAMLWECMHFC-JTQLQIEISA-N 0 3 284.197 3.512 20 30 CHEDHN CC[C@@H](C)[C@@H](C)N(Cc1ccccc1C#N)C1CC1 ZINC000513446675 333020012 /nfs/dbraw/zinc/02/00/12/333020012.db2.gz HRNZYJXKNYRQDF-ZIAGYGMSSA-N 0 3 256.393 3.957 20 30 CHEDHN Cc1ccsc1[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000404862337 333030702 /nfs/dbraw/zinc/03/07/02/333030702.db2.gz XCXSSAXXABLQEH-NSHDSACASA-N 0 3 274.364 3.918 20 30 CHEDHN CCOc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000404865741 333031015 /nfs/dbraw/zinc/03/10/15/333031015.db2.gz ZTWJJTIXSAVWBG-ZDUSSCGKSA-N 0 3 298.361 3.947 20 30 CHEDHN C=CCC(C)(C)CNCc1cc(F)ccc1OC ZINC000311134492 333065401 /nfs/dbraw/zinc/06/54/01/333065401.db2.gz DLAMKLSWPMEWST-UHFFFAOYSA-N 0 3 251.345 3.526 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)cn1 ZINC000517387280 333098635 /nfs/dbraw/zinc/09/86/35/333098635.db2.gz BEBDDPXIJJESNB-QAPCUYQASA-N 0 3 291.398 3.721 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000185322286 333138614 /nfs/dbraw/zinc/13/86/14/333138614.db2.gz IPCGVIHFMSZMGC-HNNXBMFYSA-N 0 3 298.336 3.826 20 30 CHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc2ccccc2c1 ZINC000190677129 333209443 /nfs/dbraw/zinc/20/94/43/333209443.db2.gz HOKAFJNTBOMBTP-AWEZNQCLSA-N 0 3 289.382 3.901 20 30 CHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cc2ccccc2s1 ZINC000190983646 333213105 /nfs/dbraw/zinc/21/31/05/333213105.db2.gz IWHCOOUUCHKRSN-LBPRGKRZSA-N 0 3 295.411 3.962 20 30 CHEDHN C=CCCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000193676823 333255432 /nfs/dbraw/zinc/25/54/32/333255432.db2.gz ZGCUIBBCTFGNLX-CQSZACIVSA-N 0 3 253.773 3.583 20 30 CHEDHN C[C@H]1CCC[C@H](CNCc2ccc(C#N)cc2F)C1 ZINC000227596555 333286604 /nfs/dbraw/zinc/28/66/04/333286604.db2.gz FCVNIJCGHFCUMY-JSGCOSHPSA-N 0 3 260.356 3.613 20 30 CHEDHN N#Cc1cccc(CNC[C@H]2CCC3(CCCCC3)O2)c1 ZINC000229274360 333302858 /nfs/dbraw/zinc/30/28/58/333302858.db2.gz GZZNWCGQSUFCCG-QGZVFWFLSA-N 0 3 284.403 3.530 20 30 CHEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000522995753 333303833 /nfs/dbraw/zinc/30/38/33/333303833.db2.gz GIDXAKXEBSOTEO-ZIAGYGMSSA-N 0 3 294.354 3.816 20 30 CHEDHN CCC1(CC)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000229751435 333309073 /nfs/dbraw/zinc/30/90/73/333309073.db2.gz JBQUCIMDUKMTAC-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN CN(Cc1cc(F)ccc1C#N)C1CCCCCC1 ZINC000229956853 333312049 /nfs/dbraw/zinc/31/20/49/333312049.db2.gz HWSCZXNQWAFMBW-UHFFFAOYSA-N 0 3 260.356 3.852 20 30 CHEDHN CCC[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000230649618 333319434 /nfs/dbraw/zinc/31/94/34/333319434.db2.gz HIAQWQDSSCUASN-OAHLLOKOSA-N 0 3 260.356 3.852 20 30 CHEDHN C=CC1CCN(CCSc2ccccc2F)CC1 ZINC000523605727 333333890 /nfs/dbraw/zinc/33/38/90/333333890.db2.gz NWHKOHZQIZXCGX-UHFFFAOYSA-N 0 3 265.397 3.816 20 30 CHEDHN C=CC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000523610515 333334194 /nfs/dbraw/zinc/33/41/94/333334194.db2.gz ZOWOPVIFEQLIPF-UHFFFAOYSA-N 0 3 285.309 3.983 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1cccs1 ZINC000233899542 333355907 /nfs/dbraw/zinc/35/59/07/333355907.db2.gz FDXDEOOVGZLFNE-CQSZACIVSA-N 0 3 286.400 3.869 20 30 CHEDHN C=C1CCN(CCCOc2cc(C)ccc2C)CC1 ZINC000524676390 333370846 /nfs/dbraw/zinc/37/08/46/333370846.db2.gz SODTYZIYDOARQA-UHFFFAOYSA-N 0 3 259.393 3.724 20 30 CHEDHN N#Cc1cccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000237849497 333381926 /nfs/dbraw/zinc/38/19/26/333381926.db2.gz XWJQDPBIHQQTFX-LJQANCHMSA-N 0 3 291.398 3.635 20 30 CHEDHN CC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000524758317 333387475 /nfs/dbraw/zinc/38/74/75/333387475.db2.gz ZYXJMNGRVYAWLG-HNNXBMFYSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@@H]1CCC[C@H](C)CN1Cc1ccc(C#N)cc1F ZINC000525122485 333399125 /nfs/dbraw/zinc/39/91/25/333399125.db2.gz HJCVALJTGHCWBG-QWHCGFSZSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1F)C1CCCC1 ZINC000538226526 333580498 /nfs/dbraw/zinc/58/04/98/333580498.db2.gz SPOCBIMKSLBYQX-YJBOKZPZSA-N 0 3 291.410 3.974 20 30 CHEDHN Fc1ccc(C#CCN[C@@H](c2ccccc2)C2CC2)cc1 ZINC000538392250 333588132 /nfs/dbraw/zinc/58/81/32/333588132.db2.gz PWAUIBVJEPVQLK-IBGZPJMESA-N 0 3 279.358 3.918 20 30 CHEDHN N#Cc1ccc(CNCCc2cccc3ccccc32)o1 ZINC000174266690 335151591 /nfs/dbraw/zinc/15/15/91/335151591.db2.gz DREZQUGWCYFQMG-UHFFFAOYSA-N 0 3 276.339 3.637 20 30 CHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1ccccc1F ZINC000174263382 335151640 /nfs/dbraw/zinc/15/16/40/335151640.db2.gz UPLKTYSPDWNOTA-KGLIPLIRSA-N 0 3 298.361 3.815 20 30 CHEDHN Cc1cccc(OC[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000539498985 333674242 /nfs/dbraw/zinc/67/42/42/333674242.db2.gz ZOYGSLPSSUZUPR-HOTGVXAUSA-N 0 3 294.398 3.985 20 30 CHEDHN C=CCC[C@H](Nc1cccc(OCCN(C)C)c1)C1CC1 ZINC000540840724 333749951 /nfs/dbraw/zinc/74/99/51/333749951.db2.gz NEQUZPSLGTYUAH-SFHVURJKSA-N 0 3 288.435 3.784 20 30 CHEDHN C[C@@H](CNCc1ccc(C#N)cc1)Sc1ccccc1 ZINC000174608212 335160243 /nfs/dbraw/zinc/16/02/43/335160243.db2.gz GSHASHVCFWKKHR-AWEZNQCLSA-N 0 3 282.412 3.829 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1F ZINC000544116944 333917136 /nfs/dbraw/zinc/91/71/36/333917136.db2.gz JXBBIBDHOAWVTI-CYBMUJFWSA-N 0 3 298.361 3.751 20 30 CHEDHN C=CCOc1ccc(CN[C@@]2(C)CCO[C@@H]2C)cc1Cl ZINC000544368192 333927255 /nfs/dbraw/zinc/92/72/55/333927255.db2.gz IOWQHAMPCKMTTC-WBMJQRKESA-N 0 3 295.810 3.562 20 30 CHEDHN CC[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 ZINC000545460586 333983248 /nfs/dbraw/zinc/98/32/48/333983248.db2.gz RFJNZECRLNJGRE-GXFFZTMASA-N 0 3 270.298 3.940 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000546654542 334043727 /nfs/dbraw/zinc/04/37/27/334043727.db2.gz GRRASASCBPIFMB-BYCMXARLSA-N 0 3 262.784 3.725 20 30 CHEDHN C[C@H](NCc1cccc2cccnc21)c1ccc(C#N)cc1 ZINC000075755622 334050214 /nfs/dbraw/zinc/05/02/14/334050214.db2.gz NPICHPBYGWXTBE-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN C[C@H](CCC1CCCCC1)NCc1ccc(C#N)o1 ZINC000237442810 334089278 /nfs/dbraw/zinc/08/92/78/334089278.db2.gz TZPPSIRZGSVIEN-CYBMUJFWSA-N 0 3 260.381 3.990 20 30 CHEDHN CC[C@@H]1CCCCCN1Cc1cc(C#N)ccc1OC ZINC000135397362 334128788 /nfs/dbraw/zinc/12/87/88/334128788.db2.gz IMURYIZAFMOXSY-MRXNPFEDSA-N 0 3 272.392 3.721 20 30 CHEDHN Cc1ccc(C[C@@H](C)NCc2ccc(C#N)cc2F)s1 ZINC000080244672 334168362 /nfs/dbraw/zinc/16/83/62/334168362.db2.gz RWBPDDVKAZYSPJ-LLVKDONJSA-N 0 3 288.391 3.788 20 30 CHEDHN C=CCOCCNC1(c2ccc(F)cc2F)CCCC1 ZINC000549925212 334209158 /nfs/dbraw/zinc/20/91/58/334209158.db2.gz KSJSUNQLJMIOQD-UHFFFAOYSA-N 0 3 281.346 3.526 20 30 CHEDHN C=CCOCCN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000550097056 334212918 /nfs/dbraw/zinc/21/29/18/334212918.db2.gz PGTIGTDGRXHVAO-KRWDZBQOSA-N 0 3 295.373 3.751 20 30 CHEDHN N#Cc1ccc(CN2CCCC[C@@H]2Cc2ccccc2)nc1 ZINC000551063611 334237664 /nfs/dbraw/zinc/23/76/64/334237664.db2.gz WTQZLYNIFBWNQT-LJQANCHMSA-N 0 3 291.398 3.550 20 30 CHEDHN C=CCC[C@H](NC[C@]1(C)CCCC[C@H]1O)c1ccco1 ZINC000552044383 334280845 /nfs/dbraw/zinc/28/08/45/334280845.db2.gz AJNHDPPBIDMGJV-UAGQMJEPSA-N 0 3 277.408 3.818 20 30 CHEDHN C=CCC[C@@H](N[C@@H]1CCN(C2CCCC2)C1)c1ccco1 ZINC000552045791 334281042 /nfs/dbraw/zinc/28/10/42/334281042.db2.gz PBWVELAZOVMXBQ-NVXWUHKLSA-N 0 3 288.435 3.893 20 30 CHEDHN C=CCC[C@@H](N[C@H]1CCN(C2CCCC2)C1)c1ccco1 ZINC000552045790 334281116 /nfs/dbraw/zinc/28/11/16/334281116.db2.gz PBWVELAZOVMXBQ-DOTOQJQBSA-N 0 3 288.435 3.893 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@H](c1nccn1C)C1CC1 ZINC000552087575 334287651 /nfs/dbraw/zinc/28/76/51/334287651.db2.gz LDAUWMMBTVCWRL-CABCVRRESA-N 0 3 261.413 3.596 20 30 CHEDHN COc1ccc(F)cc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248744788 334315741 /nfs/dbraw/zinc/31/57/41/334315741.db2.gz FIWLADCLMTYART-OUCADQQQSA-N 0 3 276.355 3.567 20 30 CHEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000248755263 334316170 /nfs/dbraw/zinc/31/61/70/334316170.db2.gz GDCCPFGAONQANF-DMDPSCGWSA-N 0 3 264.319 3.698 20 30 CHEDHN C=CCCCN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000552978179 334354298 /nfs/dbraw/zinc/35/42/98/334354298.db2.gz DJOZFLFSFLFBTN-CQSZACIVSA-N 0 3 287.325 3.949 20 30 CHEDHN CCC[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180586 334358279 /nfs/dbraw/zinc/35/82/79/334358279.db2.gz ZWUSTBQWHYWYSZ-GFCCVEGCSA-N 0 3 269.310 3.835 20 30 CHEDHN C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000252812590 334394366 /nfs/dbraw/zinc/39/43/66/334394366.db2.gz QHXGWGWMKPXROT-RYUDHWBXSA-N 0 3 262.784 3.832 20 30 CHEDHN CCC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCC1 ZINC000566306565 334641911 /nfs/dbraw/zinc/64/19/11/334641911.db2.gz SOPAPLWYTLEFQD-HNNXBMFYSA-N 0 3 287.363 3.525 20 30 CHEDHN C=CCCC[C@H](C)NCc1cnc(C(C)(C)C)nc1 ZINC000342787110 335186964 /nfs/dbraw/zinc/18/69/64/335186964.db2.gz ZPBLTSJTZNYJCS-ZDUSSCGKSA-N 0 3 261.413 3.609 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000343677140 335216292 /nfs/dbraw/zinc/21/62/92/335216292.db2.gz CMOALZZYMAPXJK-AWEZNQCLSA-N 0 3 250.345 3.603 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000343677159 335216436 /nfs/dbraw/zinc/21/64/36/335216436.db2.gz CMOALZZYMAPXJK-CQSZACIVSA-N 0 3 250.345 3.603 20 30 CHEDHN N#CC(C(=O)c1cccc2ccsc21)c1ccccn1 ZINC000343909732 335226397 /nfs/dbraw/zinc/22/63/97/335226397.db2.gz AUSDPMJTXRULDM-ZDUSSCGKSA-N 0 3 278.336 3.786 20 30 CHEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1C(F)(F)F ZINC000576685845 335234471 /nfs/dbraw/zinc/23/44/71/335234471.db2.gz BJWYOJCDAGVKJR-UTUOFQBUSA-N 0 3 274.330 3.589 20 30 CHEDHN N#Cc1ccc(CN2CCC3(C2)CCCCC3)c(F)c1 ZINC000379968157 335287698 /nfs/dbraw/zinc/28/76/98/335287698.db2.gz HLQLKQRJGNQODN-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN CCN(CCCNCc1ccc(C#N)s1)c1ccccc1 ZINC000176943135 335341866 /nfs/dbraw/zinc/34/18/66/335341866.db2.gz SMCMLNANAVQVQW-UHFFFAOYSA-N 0 3 299.443 3.626 20 30 CHEDHN C=CCC[C@H](N[C@@H](CO)Cc1cccc(C)c1)c1ccco1 ZINC000577382869 335345788 /nfs/dbraw/zinc/34/57/88/335345788.db2.gz QRWRKNIRUBUXQK-MSOLQXFVSA-N 0 3 299.414 3.789 20 30 CHEDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccccc1C#N ZINC000179095198 335472908 /nfs/dbraw/zinc/47/29/08/335472908.db2.gz HCKRUBZJZXKFAI-JKSUJKDBSA-N 0 3 274.433 3.712 20 30 CHEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000181551797 335769732 /nfs/dbraw/zinc/76/97/32/335769732.db2.gz RTVIHBDBRUQWDL-KSSFIOAISA-N 0 3 280.371 3.597 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183771616 335905056 /nfs/dbraw/zinc/90/50/56/335905056.db2.gz MBFLUIIFYBFIPJ-DYVFJYSZSA-N 0 3 270.351 3.864 20 30 CHEDHN C[C@H](C#N)CNC1CCC(C)(c2ccccc2)CC1 ZINC000183813339 335907095 /nfs/dbraw/zinc/90/70/95/335907095.db2.gz PHARQDBOEDQXRF-ODIFPOPNSA-N 0 3 256.393 3.636 20 30 CHEDHN CC1(c2ccccc2)CCN(Cc2ccc(C#N)cn2)CC1 ZINC000581318346 336047927 /nfs/dbraw/zinc/04/79/27/336047927.db2.gz MPMPOIUSQKALAF-UHFFFAOYSA-N 0 3 291.398 3.507 20 30 CHEDHN C[C@@H](CCC#N)N1CCC(c2cccc(F)c2F)CC1 ZINC000581594211 336108764 /nfs/dbraw/zinc/10/87/64/336108764.db2.gz USZYICIYSMZOEO-LBPRGKRZSA-N 0 3 278.346 3.836 20 30 CHEDHN CO[C@@](C)(CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000384296857 336123276 /nfs/dbraw/zinc/12/32/76/336123276.db2.gz GVSBZHRAQDYJAZ-KXBFYZLASA-N 0 3 294.398 3.771 20 30 CHEDHN C=CC(C)(C)CNCc1csc(C(C)(C)C)n1 ZINC000385040200 336136463 /nfs/dbraw/zinc/13/64/63/336136463.db2.gz NLUWJLDOIAWKTH-UHFFFAOYSA-N 0 3 252.427 3.742 20 30 CHEDHN C[C@@H](N(C)Cc1ccc(C#N)cc1Cl)C1(C)CC1 ZINC000385669869 336153952 /nfs/dbraw/zinc/15/39/52/336153952.db2.gz AMKMJZOOTJDIMI-LLVKDONJSA-N 0 3 262.784 3.832 20 30 CHEDHN CN(CCNc1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC000386726266 336177570 /nfs/dbraw/zinc/17/75/70/336177570.db2.gz AFYYTEPZVMOQTB-UHFFFAOYSA-N 0 3 299.805 3.756 20 30 CHEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000336029335 534284369 /nfs/dbraw/zinc/28/43/69/534284369.db2.gz MGCYLQQDHYUWAZ-GHMZBOCLSA-N 0 3 286.762 3.830 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2cccc(C#N)c2)CS1 ZINC000277271315 518949330 /nfs/dbraw/zinc/94/93/30/518949330.db2.gz PTHOFAWHXZLSQI-CABCVRRESA-N 0 3 274.433 3.568 20 30 CHEDHN CCCOc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000037997038 520456274 /nfs/dbraw/zinc/45/62/74/520456274.db2.gz ARFNGVRFOOYFAU-UHFFFAOYSA-N 0 3 280.371 3.637 20 30 CHEDHN CCN(C[C@@H]1CC[C@H](C)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000248889984 521230304 /nfs/dbraw/zinc/23/03/04/521230304.db2.gz IBFRWFXMKJDATD-VBQJREDUSA-N 0 3 272.392 3.509 20 30 CHEDHN CCN(Cc1ccc(C)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000156309784 521304084 /nfs/dbraw/zinc/30/40/84/521304084.db2.gz XODXZWPGSZJILI-OAHLLOKOSA-N 0 3 279.387 3.845 20 30 CHEDHN CC[C@H](NCc1ccc(Cl)nc1)c1ccc(C#N)cc1 ZINC000278188442 522645433 /nfs/dbraw/zinc/64/54/33/522645433.db2.gz FEMOGJZYTZWLTQ-HNNXBMFYSA-N 0 3 285.778 3.848 20 30 CHEDHN CC[C@H](NCc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000278251381 522656736 /nfs/dbraw/zinc/65/67/36/522656736.db2.gz MMGCZLDEXBLLGU-SFHVURJKSA-N 0 3 280.371 3.808 20 30 CHEDHN COc1ccc(CN[C@@H]2CCc3cc(C)ccc32)cc1C#N ZINC000266229180 524086803 /nfs/dbraw/zinc/08/68/03/524086803.db2.gz SZPWZSHFCHHOGS-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN N#Cc1csc(CNCC2(c3ccccc3)CCCC2)n1 ZINC000352830556 534829713 /nfs/dbraw/zinc/82/97/13/534829713.db2.gz BDYVQCFRUOGLTA-UHFFFAOYSA-N 0 3 297.427 3.616 20 30 CHEDHN C[C@H](N[C@@H]1CCc2ccccc21)c1cccc(C#N)c1 ZINC000037229999 525581971 /nfs/dbraw/zinc/58/19/71/525581971.db2.gz UMFLNPBJRSVWOP-SCLBCKFNSA-N 0 3 262.356 3.896 20 30 CHEDHN COc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000275321864 525917032 /nfs/dbraw/zinc/91/70/32/525917032.db2.gz TWQIAQMUWDJKTO-CQSZACIVSA-N 0 3 280.371 3.760 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC=C(c2cccnc2)C1 ZINC000289464596 526037166 /nfs/dbraw/zinc/03/71/66/526037166.db2.gz YMVBQSLICSOFSB-HNNXBMFYSA-N 0 3 289.382 3.804 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289689831 526042651 /nfs/dbraw/zinc/04/26/51/526042651.db2.gz ICHOQUDSSIVFSB-XYPHTWIQSA-N 0 3 284.403 3.509 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@@H](C)C1 ZINC000289370868 526068678 /nfs/dbraw/zinc/06/86/78/526068678.db2.gz BHBKDMNAPRYYMA-RYUDHWBXSA-N 0 3 264.319 3.596 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](OCC2CC2)C1 ZINC000364779459 526068705 /nfs/dbraw/zinc/06/87/05/526068705.db2.gz OBXYEWZAVMUQTQ-KSSFIOAISA-N 0 3 284.403 3.510 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccs1 ZINC000275274674 526074497 /nfs/dbraw/zinc/07/44/97/526074497.db2.gz LZHAWLRXKJLUOR-GFCCVEGCSA-N 0 3 256.374 3.813 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CCOCC2)CC1 ZINC000284857605 526074889 /nfs/dbraw/zinc/07/48/89/526074889.db2.gz UJTOFQAENLQWTH-OAHLLOKOSA-N 0 3 284.403 3.512 20 30 CHEDHN C=CCN(CC[C@H]1CCCCO1)Cc1ccccc1 ZINC000347389467 526307321 /nfs/dbraw/zinc/30/73/21/526307321.db2.gz FWYBVMNPEKVSOZ-QGZVFWFLSA-N 0 3 259.393 3.634 20 30 CHEDHN C=CCN(CC[C@H]1CCCCO1)Cc1ccc(OC)cc1 ZINC000347389816 526307574 /nfs/dbraw/zinc/30/75/74/526307574.db2.gz GBDCWKYZXCTODG-GOSISDBHSA-N 0 3 289.419 3.642 20 30 CHEDHN N#Cc1ccc(CNCCCSc2ccc(F)cc2)o1 ZINC000237779039 526622843 /nfs/dbraw/zinc/62/28/43/526622843.db2.gz JOCHUWFTMLYCPA-UHFFFAOYSA-N 0 3 290.363 3.562 20 30 CHEDHN C=CC1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000353595350 526979652 /nfs/dbraw/zinc/97/96/52/526979652.db2.gz ORKTYGCHHIMXMN-UHFFFAOYSA-N 0 3 281.403 3.579 20 30 CHEDHN C=CC[C@@H](CO)CN[C@H](CCC(C)C)c1ccoc1 ZINC000353625579 527082135 /nfs/dbraw/zinc/08/21/35/527082135.db2.gz VYUDIBMQDPCMSZ-GDBMZVCRSA-N 0 3 265.397 3.531 20 30 CHEDHN CC(C)(CNCc1nc(C#N)cs1)C1=CCCCC1 ZINC000352854538 527173164 /nfs/dbraw/zinc/17/31/64/527173164.db2.gz QOTKTULIQWINHV-UHFFFAOYSA-N 0 3 275.421 3.631 20 30 CHEDHN C=CCC[C@H](NCCc1cccnc1OC)c1ccco1 ZINC000353541221 527484086 /nfs/dbraw/zinc/48/40/86/527484086.db2.gz RCBCUHYWWWYRQO-HNNXBMFYSA-N 0 3 286.375 3.523 20 30 CHEDHN CC(C)CN(Cc1ccc(C#N)o1)Cc1ccc(C#N)cc1 ZINC000350651428 527944704 /nfs/dbraw/zinc/94/47/04/527944704.db2.gz BFWLAUSFYKBGCS-UHFFFAOYSA-N 0 3 293.370 3.681 20 30 CHEDHN CCCN(C[C@H](C#N)CCC#N)CC1CCCCC1 ZINC000352787156 528125236 /nfs/dbraw/zinc/12/52/36/528125236.db2.gz CGENJWLFMCXXQR-INIZCTEOSA-N 0 3 261.413 3.722 20 30 CHEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC(C)(C)C#N ZINC000613540362 1120020516 /nfs/dbraw/zinc/02/05/16/1120020516.db2.gz NFBWMNMYZKPEIK-NSHDSACASA-N 0 3 284.325 3.776 20 30 CHEDHN C=CCN(Cc1ncccc1C(F)(F)F)C(C)(C)C ZINC000661759903 1120811595 /nfs/dbraw/zinc/81/15/95/1120811595.db2.gz LXSSSDSISBKHLF-UHFFFAOYSA-N 0 3 272.314 3.887 20 30 CHEDHN CSC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000429277907 1121501135 /nfs/dbraw/zinc/50/11/35/1121501135.db2.gz HPHFDCJXQUIETO-OAHLLOKOSA-N 0 3 293.863 3.767 20 30 CHEDHN C=C(Cl)CN[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000280138905 1121865077 /nfs/dbraw/zinc/86/50/77/1121865077.db2.gz DOIVXRNXOXYEPL-RYUDHWBXSA-N 0 3 283.799 3.538 20 30 CHEDHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(C#N)o1 ZINC000516514026 1122606764 /nfs/dbraw/zinc/60/67/64/1122606764.db2.gz CNCQOAOQZMXFNK-OLZOCXBDSA-N 0 3 260.381 3.798 20 30 CHEDHN C=C(C)CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280817342 1123155634 /nfs/dbraw/zinc/15/56/34/1123155634.db2.gz UMZOGVSBKKETME-LBPRGKRZSA-N 0 3 293.716 3.558 20 30 CHEDHN C=CCSCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794809226 1123957157 /nfs/dbraw/zinc/95/71/57/1123957157.db2.gz DNPQLTIIHASVEB-AWEZNQCLSA-N 0 3 265.422 3.661 20 30 CHEDHN Cc1ccc(CC[C@@H](C)N2CC[C@](C)(C#N)C2)cc1 ZINC001171681380 1132078754 /nfs/dbraw/zinc/07/87/54/1132078754.db2.gz GALZCEGAXHUIOK-NVXWUHKLSA-N 0 3 256.393 3.552 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC001206408679 1133699591 /nfs/dbraw/zinc/69/95/91/1133699591.db2.gz FPSGELBETGPJJG-CYBMUJFWSA-N 0 3 292.220 3.684 20 30 CHEDHN C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C#N)o2)C1 ZINC000093437823 1125536943 /nfs/dbraw/zinc/53/69/43/1125536943.db2.gz UVGYSEOGNRFSQF-GOSISDBHSA-N 0 3 280.371 3.705 20 30 CHEDHN N#CC(C(=O)C1CCC(C(F)(F)F)CC1)c1ccccn1 ZINC000216365691 1125592776 /nfs/dbraw/zinc/59/27/76/1125592776.db2.gz UKFVUPHLOSMIDI-HTAVTVPLSA-N 0 3 296.292 3.627 20 30 CHEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2cccnc21 ZINC000026329081 1125604386 /nfs/dbraw/zinc/60/43/86/1125604386.db2.gz SQISACZFKXSPKN-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN C=CCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000533538213 1125613729 /nfs/dbraw/zinc/61/37/29/1125613729.db2.gz YMLDXEXMCHAOEH-AWEZNQCLSA-N 0 3 256.349 3.931 20 30 CHEDHN Cc1ccc(CN[C@H]2CCc3c2cccc3F)cc1C#N ZINC000886923999 1125725849 /nfs/dbraw/zinc/72/58/49/1125725849.db2.gz CNYJQTMXUKPVBK-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1cccs1 ZINC000192179900 1125759240 /nfs/dbraw/zinc/75/92/40/1125759240.db2.gz GIQKMVFVXVCLSQ-JTQLQIEISA-N 0 3 260.337 3.610 20 30 CHEDHN C=C(C)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000509686036 1125776620 /nfs/dbraw/zinc/77/66/20/1125776620.db2.gz DTAZHLZMZNORFM-IAGOWNOFSA-N 0 3 254.377 3.724 20 30 CHEDHN CC(C)(C#N)CN[C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000903100508 1130112598 /nfs/dbraw/zinc/11/25/98/1130112598.db2.gz QPIJKJCKHUWXTI-CABCVRRESA-N 0 3 256.393 3.708 20 30 CHEDHN CCCCCCCCCC(=O)N1CCCN(CC)CC1 ZINC000748850608 1130250771 /nfs/dbraw/zinc/25/07/71/1130250771.db2.gz GDHIZPYCZCEBFI-UHFFFAOYSA-N 0 3 282.472 3.681 20 30 CHEDHN CC1=C(c2ccco2)CN(CCC(C)(C)C#N)CC1 ZINC000338341427 1126736086 /nfs/dbraw/zinc/73/60/86/1126736086.db2.gz HLMCNFHHBSFVTA-UHFFFAOYSA-N 0 3 258.365 3.699 20 30 CHEDHN CC1=C(c2ccco2)CN(Cc2ccc(C#N)cc2)CC1 ZINC000338339107 1126736258 /nfs/dbraw/zinc/73/62/58/1126736258.db2.gz AHVJXELFAWRJFZ-UHFFFAOYSA-N 0 3 278.355 3.831 20 30 CHEDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000151373937 1126753406 /nfs/dbraw/zinc/75/34/06/1126753406.db2.gz NSKHAFMKFGBZDL-OAHLLOKOSA-N 0 3 293.414 3.865 20 30 CHEDHN C=CCCN[C@H](C)c1ccc(OC)cc1Br ZINC000309854083 1126756045 /nfs/dbraw/zinc/75/60/45/1126756045.db2.gz JTHMXNLRJISMBQ-SNVBAGLBSA-N 0 3 284.197 3.684 20 30 CHEDHN COc1ccc(CNC(C)(C)c2cccc(F)c2)cc1C#N ZINC000174415084 1126769753 /nfs/dbraw/zinc/76/97/53/1126769753.db2.gz SBUDVKAXDYYAJM-UHFFFAOYSA-N 0 3 298.361 3.731 20 30 CHEDHN N#Cc1ccc(CNCC2(c3cccc(Cl)c3)CC2)o1 ZINC000174420176 1126769941 /nfs/dbraw/zinc/76/99/41/1126769941.db2.gz ZKPGCFXZHYTTMZ-UHFFFAOYSA-N 0 3 286.762 3.626 20 30 CHEDHN C=C1CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483288726 1126778860 /nfs/dbraw/zinc/77/88/60/1126778860.db2.gz IRMHVABPRNXDCQ-UHFFFAOYSA-N 0 3 257.377 3.627 20 30 CHEDHN Cn1cccc1[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000175122224 1126777857 /nfs/dbraw/zinc/77/78/57/1126777857.db2.gz MOKHDGXTCXLYHR-GOSISDBHSA-N 0 3 279.387 3.624 20 30 CHEDHN Cc1cccc(OCCN(C)Cc2ccc(C#N)c(F)c2)c1 ZINC000483508659 1126790171 /nfs/dbraw/zinc/79/01/71/1126790171.db2.gz AAOMJZSVGVLYHZ-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN C=CCOCCN[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000679770175 1130555932 /nfs/dbraw/zinc/55/59/32/1130555932.db2.gz OSUXYMNRTILJCX-HNNXBMFYSA-N 0 3 285.790 3.968 20 30 CHEDHN C=CCN(CCOC)C1c2ccccc2-c2ccccc21 ZINC000484560748 1126827750 /nfs/dbraw/zinc/82/77/50/1126827750.db2.gz YGZDILYKXVAFGR-UHFFFAOYSA-N 0 3 279.383 3.891 20 30 CHEDHN CN(Cc1ccc(C#N)s1)[C@@H]1CCc2ccccc21 ZINC000179907995 1126836074 /nfs/dbraw/zinc/83/60/74/1126836074.db2.gz AHMVWUVIJQVICB-MRXNPFEDSA-N 0 3 268.385 3.739 20 30 CHEDHN N#CCCCNC1(c2ccc(F)cc2F)CCCC1 ZINC000181256858 1126854018 /nfs/dbraw/zinc/85/40/18/1126854018.db2.gz UMFWVPYTYMLXGQ-UHFFFAOYSA-N 0 3 264.319 3.627 20 30 CHEDHN CCOCc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181476653 1126856004 /nfs/dbraw/zinc/85/60/04/1126856004.db2.gz NXOVASVXLKERTH-HNNXBMFYSA-N 0 3 294.398 3.946 20 30 CHEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000185764592 1126903349 /nfs/dbraw/zinc/90/33/49/1126903349.db2.gz GDCCPFGAONQANF-NTZNESFSSA-N 0 3 264.319 3.698 20 30 CHEDHN C#CCCCCN[C@@H](C)c1csc(C(C)C)n1 ZINC000186419373 1126906539 /nfs/dbraw/zinc/90/65/39/1126906539.db2.gz NQTFFEKXPYHLBM-LBPRGKRZSA-N 0 3 250.411 3.721 20 30 CHEDHN C=CCCOc1ccccc1-c1cnc([C@H]2CCCN2)nc1 ZINC000906177010 1126934396 /nfs/dbraw/zinc/93/43/96/1126934396.db2.gz LQIGWFWMCFOPDX-MRXNPFEDSA-N 0 3 295.386 3.523 20 30 CHEDHN CCN(Cc1ccc(C#N)o1)[C@H](C)Cc1ccsc1 ZINC000190260388 1126940831 /nfs/dbraw/zinc/94/08/31/1126940831.db2.gz MFOQDAGECGCOCW-GFCCVEGCSA-N 0 3 274.389 3.666 20 30 CHEDHN Cn1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)cc1C#N ZINC000190950394 1126946136 /nfs/dbraw/zinc/94/61/36/1126946136.db2.gz YLEBAZYAZSMIPJ-SFHVURJKSA-N 0 3 297.377 3.667 20 30 CHEDHN CN(Cc1ccc(C#N)cc1F)CC1CCCCC1 ZINC000042340341 1127038664 /nfs/dbraw/zinc/03/86/64/1127038664.db2.gz CFDAXNVRXDXBDZ-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN Cc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1C ZINC000269641388 1127043451 /nfs/dbraw/zinc/04/34/51/1127043451.db2.gz XRINUWMPEZSJGE-UHFFFAOYSA-N 0 3 276.383 3.954 20 30 CHEDHN Cc1cc(CN(C)[C@@H](C)c2cccc(O)c2)ccc1C#N ZINC000488233388 1127063391 /nfs/dbraw/zinc/06/33/91/1127063391.db2.gz QNCQGCGLHARJRO-AWEZNQCLSA-N 0 3 280.371 3.765 20 30 CHEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC001320427926 1127068632 /nfs/dbraw/zinc/06/86/32/1127068632.db2.gz NRAJDFGUYQCMOT-GOEBONIOSA-N 0 3 277.408 3.573 20 30 CHEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC001320427925 1127068250 /nfs/dbraw/zinc/06/82/50/1127068250.db2.gz NRAJDFGUYQCMOT-GDBMZVCRSA-N 0 3 277.408 3.573 20 30 CHEDHN C=CCC[C@H](O)CN(CCC)Cc1ccc(F)cc1F ZINC001307436104 1127195756 /nfs/dbraw/zinc/19/57/56/1127195756.db2.gz NNWVHZZAODYUFR-HNNXBMFYSA-N 0 3 283.362 3.504 20 30 CHEDHN COCCN(Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000351590538 1127196046 /nfs/dbraw/zinc/19/60/46/1127196046.db2.gz WLJPKGNHDFZFSU-MRXNPFEDSA-N 0 3 294.398 3.768 20 30 CHEDHN Cc1ccc(C)c(OC2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000351650559 1127201079 /nfs/dbraw/zinc/20/10/79/1127201079.db2.gz XDEVZXYLVXLQFM-INIZCTEOSA-N 0 3 286.419 3.839 20 30 CHEDHN C=CCC[C@H](NC[C@@](C)(O)c1ccsc1)c1ccco1 ZINC000285967139 1127249606 /nfs/dbraw/zinc/24/96/06/1127249606.db2.gz GYGNDXBXSMGZBA-GOEBONIOSA-N 0 3 291.416 3.846 20 30 CHEDHN C=CCSCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000285974978 1127249797 /nfs/dbraw/zinc/24/97/97/1127249797.db2.gz HILGMWZVTIGOPE-CQSZACIVSA-N 0 3 279.453 3.540 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)c1cccc(F)c1)c1ccco1 ZINC000286048617 1127256177 /nfs/dbraw/zinc/25/61/77/1127256177.db2.gz KYLJIXXGEXMFKY-CVEARBPZSA-N 0 3 289.350 3.749 20 30 CHEDHN N#CCCC[C@H](NCc1ccccn1)c1ccccc1 ZINC000353902358 1127277420 /nfs/dbraw/zinc/27/74/20/1127277420.db2.gz SXIGPBIYPYTPOZ-KRWDZBQOSA-N 0 3 265.360 3.606 20 30 CHEDHN N#CCCC[C@@H](NCc1cccc(O)c1)c1ccccc1 ZINC000353915227 1127277852 /nfs/dbraw/zinc/27/78/52/1127277852.db2.gz MHQQUUFQNJKSMZ-GOSISDBHSA-N 0 3 280.371 3.917 20 30 CHEDHN Cc1ccc(CN[C@@H](CCCC#N)c2ccccc2)nc1 ZINC000353914002 1127278022 /nfs/dbraw/zinc/27/80/22/1127278022.db2.gz JTRLOVKJDFKZCO-SFHVURJKSA-N 0 3 279.387 3.915 20 30 CHEDHN N#CCCC[C@H](NCc1cccnc1)c1ccccc1 ZINC000353910898 1127278145 /nfs/dbraw/zinc/27/81/45/1127278145.db2.gz AWMAVDBOLBZKSH-KRWDZBQOSA-N 0 3 265.360 3.606 20 30 CHEDHN Cc1ccncc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353917940 1127278891 /nfs/dbraw/zinc/27/88/91/1127278891.db2.gz WDZFBGUAXCIOBO-GOSISDBHSA-N 0 3 279.387 3.915 20 30 CHEDHN Cc1cccc(CC2CN(Cc3cccc(C#N)c3)C2)c1 ZINC000590967281 1127279785 /nfs/dbraw/zinc/27/97/85/1127279785.db2.gz ZMBNSVHMYBUJHM-UHFFFAOYSA-N 0 3 276.383 3.541 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCC[C@H]1F ZINC000591252898 1127290318 /nfs/dbraw/zinc/29/03/18/1127290318.db2.gz FLQAJGHBNPJZRU-BRWVUGGUSA-N 0 3 272.367 3.806 20 30 CHEDHN CC(C)CC[C@@H]1CCC[C@H]1NCc1ccncc1C#N ZINC000592119399 1127335954 /nfs/dbraw/zinc/33/59/54/1127335954.db2.gz UZPRXXPKPVVLDO-WMLDXEAASA-N 0 3 271.408 3.648 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1Cc1ccncc1C#N ZINC000592127252 1127336686 /nfs/dbraw/zinc/33/66/86/1127336686.db2.gz YKAIQWBFLBPDEN-CLCXKQKWSA-N 0 3 291.398 3.720 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NC2(c3ccccc3F)CCC2)C1 ZINC000592398615 1127345454 /nfs/dbraw/zinc/34/54/54/1127345454.db2.gz ZEANBVQGHJTGGS-ZIAGYGMSSA-N 0 3 272.367 3.877 20 30 CHEDHN CC[C@H](OCCN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000593022541 1127365206 /nfs/dbraw/zinc/36/52/06/1127365206.db2.gz ZWNBPQIAXWHSAN-KRWDZBQOSA-N 0 3 286.419 3.780 20 30 CHEDHN N#CCCCN1CCCC[C@@H]1Cc1ccccc1F ZINC000593084302 1127373686 /nfs/dbraw/zinc/37/36/86/1127373686.db2.gz ROISSFUOGMBYII-OAHLLOKOSA-N 0 3 260.356 3.526 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(CC2(F)F)CC1 ZINC000593073648 1127374593 /nfs/dbraw/zinc/37/45/93/1127374593.db2.gz VJPWYLQPFGOPKF-LBPRGKRZSA-N 0 3 276.330 3.740 20 30 CHEDHN COc1ccc([C@H](NCCCC#N)c2ccccc2)cc1 ZINC000357624524 1127392163 /nfs/dbraw/zinc/39/21/63/1127392163.db2.gz NPFGRWAACFDYJW-GOSISDBHSA-N 0 3 280.371 3.678 20 30 CHEDHN COc1ccc([C@@H](NCCCC#N)c2ccccc2)cc1 ZINC000357624526 1127392701 /nfs/dbraw/zinc/39/27/01/1127392701.db2.gz NPFGRWAACFDYJW-SFHVURJKSA-N 0 3 280.371 3.678 20 30 CHEDHN COc1ccc([C@@H](C)[C@H](C)NCC2(C#N)CCCC2)cc1 ZINC000593655155 1127393401 /nfs/dbraw/zinc/39/34/01/1127393401.db2.gz ZWTQJBOMOUDIGU-GJZGRUSLSA-N 0 3 286.419 3.861 20 30 CHEDHN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1C#N ZINC000594969362 1127437506 /nfs/dbraw/zinc/43/75/06/1127437506.db2.gz PWDGHMHTTSZGCA-UHFFFAOYSA-N 0 3 289.382 3.763 20 30 CHEDHN C[C@H](CSCCF)N[C@H](CCC#N)c1ccccc1 ZINC000595021984 1127442641 /nfs/dbraw/zinc/44/26/41/1127442641.db2.gz IQFDTTKUUJRZPK-UKRRQHHQSA-N 0 3 280.412 3.712 20 30 CHEDHN C=CCCSCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000595058271 1127447034 /nfs/dbraw/zinc/44/70/34/1127447034.db2.gz GCFMUVCROKZUSJ-OAHLLOKOSA-N 0 3 293.480 3.930 20 30 CHEDHN N#CCCC[C@H](N[C@@H]1CCCn2nccc21)c1ccccc1 ZINC000595038863 1127450075 /nfs/dbraw/zinc/45/00/75/1127450075.db2.gz PJQMNZIWXRRKNI-DLBZAZTESA-N 0 3 294.402 3.743 20 30 CHEDHN Cc1ccc2oc(CN[C@@H]3CCC[C@@H](C#N)C3)cc2c1 ZINC000595085246 1127453521 /nfs/dbraw/zinc/45/35/21/1127453521.db2.gz JQNIPVKWCRBBGB-UKRRQHHQSA-N 0 3 268.360 3.913 20 30 CHEDHN N#CC1(CN[C@@H]2Cc3ccc(Cl)cc3C2)CCCCC1 ZINC000595092099 1127454535 /nfs/dbraw/zinc/45/45/35/1127454535.db2.gz WRTJYXVIDBVANO-MRXNPFEDSA-N 0 3 288.822 3.871 20 30 CHEDHN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000595092350 1127454840 /nfs/dbraw/zinc/45/48/40/1127454840.db2.gz URMZVELNANHXHB-XIKOKIGWSA-N 0 3 278.355 3.602 20 30 CHEDHN CCCCCCC[C@@H](C)N[C@H](C)c1nnc2n1CCC2 ZINC000059487398 1127456716 /nfs/dbraw/zinc/45/67/16/1127456716.db2.gz DUMSUHRZROQMER-ZIAGYGMSSA-N 0 3 278.444 3.624 20 30 CHEDHN C=CCN(CCOC)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000574999038 1127460369 /nfs/dbraw/zinc/46/03/69/1127460369.db2.gz KZJXMLZVGKQJAH-GFCCVEGCSA-N 0 3 287.325 3.901 20 30 CHEDHN Cc1csc(C2(NCCc3ccc(C#N)cc3)CCC2)n1 ZINC000595427393 1127462537 /nfs/dbraw/zinc/46/25/37/1127462537.db2.gz CIZOIGWXVASDRD-UHFFFAOYSA-N 0 3 297.427 3.535 20 30 CHEDHN N#Cc1ccc(CCN2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000595521185 1127464973 /nfs/dbraw/zinc/46/49/73/1127464973.db2.gz XHFFFGYPPRXCTI-GOSISDBHSA-N 0 3 292.382 3.921 20 30 CHEDHN CN(C)c1ccccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000595634864 1127469287 /nfs/dbraw/zinc/46/92/87/1127469287.db2.gz GPAYMGYWHNAIBH-UHFFFAOYSA-N 0 3 293.414 3.649 20 30 CHEDHN C=CCN(Cc1ccccc1C(C)(C)C#N)[C@@H](C)COC ZINC000595648885 1127471325 /nfs/dbraw/zinc/47/13/25/1127471325.db2.gz VRBNNWPYOQVGAL-HNNXBMFYSA-N 0 3 286.419 3.511 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000595845397 1127477917 /nfs/dbraw/zinc/47/79/17/1127477917.db2.gz NKSGWEADBKSRRS-MCIONIFRSA-N 0 3 289.375 3.619 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000595831034 1127478849 /nfs/dbraw/zinc/47/88/49/1127478849.db2.gz KUKYVIHLDSMUHZ-DNVCBOLYSA-N 0 3 292.382 3.773 20 30 CHEDHN C#Cc1ccc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000809625144 1127488329 /nfs/dbraw/zinc/48/83/29/1127488329.db2.gz YWVXKSAGFDRQHF-GOSISDBHSA-N 0 3 294.354 3.817 20 30 CHEDHN CC[C@H](Cc1ccc(Cl)cc1)NCC1(C#N)CC1 ZINC000597122127 1127528966 /nfs/dbraw/zinc/52/89/66/1127528966.db2.gz WAENMDLUPLNJMZ-CQSZACIVSA-N 0 3 262.784 3.554 20 30 CHEDHN C[C@]1(C#N)CCN([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000597229954 1127535164 /nfs/dbraw/zinc/53/51/64/1127535164.db2.gz CXQXNNJXXRJXAD-KURKYZTESA-N 0 3 268.404 3.732 20 30 CHEDHN CC(C)(C)[C@H]1C[C@H](NCC2(C#N)CCCCC2)CS1 ZINC000597224754 1127536539 /nfs/dbraw/zinc/53/65/39/1127536539.db2.gz JMDWLUIOUFEXQN-UONOGXRCSA-N 0 3 280.481 3.970 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361190382 1127546466 /nfs/dbraw/zinc/54/64/66/1127546466.db2.gz PAQHJOJBNJFMIM-MISXGVKJSA-N 0 3 281.346 3.979 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1N ZINC000602441207 1127579648 /nfs/dbraw/zinc/57/96/48/1127579648.db2.gz VZFHKYAUVYPDMW-UHFFFAOYSA-N 0 3 297.377 3.690 20 30 CHEDHN CC(C)(C)N(Cc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC000602463163 1127582896 /nfs/dbraw/zinc/58/28/96/1127582896.db2.gz KTUGEGAZGKMQRB-UHFFFAOYSA-N 0 3 297.377 3.893 20 30 CHEDHN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000361765568 1127587552 /nfs/dbraw/zinc/58/75/52/1127587552.db2.gz KWIVGFQTBYXHAK-CXAGYDPISA-N 0 3 272.367 3.709 20 30 CHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1Cl ZINC000602503891 1127588758 /nfs/dbraw/zinc/58/87/58/1127588758.db2.gz NXYUOGBTQIAJEU-ZDUSSCGKSA-N 0 3 292.810 3.529 20 30 CHEDHN CC(C)(C)c1csc(CNC2CCC(C#N)CC2)n1 ZINC000602538888 1127589931 /nfs/dbraw/zinc/58/99/31/1127589931.db2.gz DFSGHZDHJRSSNM-UHFFFAOYSA-N 0 3 277.437 3.613 20 30 CHEDHN CC[C@H](C)[C@@H](CN[C@H](CCC#N)c1ccccc1)OC ZINC000602584034 1127596919 /nfs/dbraw/zinc/59/69/19/1127596919.db2.gz WJTXTXZHCASCMV-USXIJHARSA-N 0 3 274.408 3.682 20 30 CHEDHN C[C@@H](NC[C@@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000602642001 1127599920 /nfs/dbraw/zinc/59/99/20/1127599920.db2.gz WXMPALQAMNOYAU-DTWKUNHWSA-N 0 3 291.342 3.752 20 30 CHEDHN COc1ccc([C@H](NC[C@@H](C)CCC#N)c2ccco2)cc1 ZINC000602686350 1127604063 /nfs/dbraw/zinc/60/40/63/1127604063.db2.gz PLTHPBXZANLIQV-KSSFIOAISA-N 0 3 298.386 3.907 20 30 CHEDHN C#CC[C@H](NCc1csc(C)c1)c1ccccc1 ZINC000294910527 1127607468 /nfs/dbraw/zinc/60/74/68/1127607468.db2.gz AGINDJGBBCJYMM-INIZCTEOSA-N 0 3 255.386 3.911 20 30 CHEDHN COc1ccc2c(c1)C[C@H](C)N(CC1(CC#N)CC1)[C@@H]2C ZINC000602807263 1127615404 /nfs/dbraw/zinc/61/54/04/1127615404.db2.gz WLZVHVDHSAHGEW-UONOGXRCSA-N 0 3 284.403 3.697 20 30 CHEDHN C[C@@H](CC#N)NCCCSc1ccccc1Cl ZINC000602861231 1127617517 /nfs/dbraw/zinc/61/75/17/1127617517.db2.gz GGAIFARSQGACGY-NSHDSACASA-N 0 3 268.813 3.714 20 30 CHEDHN COc1ccc2c(c1)C[C@@H](C)N(CC1(CC#N)CC1)[C@H]2C ZINC000602807261 1127615102 /nfs/dbraw/zinc/61/51/02/1127615102.db2.gz WLZVHVDHSAHGEW-KGLIPLIRSA-N 0 3 284.403 3.697 20 30 CHEDHN CN(CC1CCC(C(F)(F)F)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979466 1127623528 /nfs/dbraw/zinc/62/35/28/1127623528.db2.gz DQGUYNDLUWVCTO-FKZOYECMSA-N 0 3 288.357 3.979 20 30 CHEDHN CC[C@@H](CC#N)NCCCCc1cccc(Cl)c1 ZINC000598621233 1127628122 /nfs/dbraw/zinc/62/81/22/1127628122.db2.gz SQLJTIMJDMFKGE-HNNXBMFYSA-N 0 3 264.800 3.945 20 30 CHEDHN N#Cc1cccc(C2(NCc3cccc4c3CCC4)CC2)c1 ZINC000593609936 1127635439 /nfs/dbraw/zinc/63/54/39/1127635439.db2.gz ZWLGFUAXFDDOCI-UHFFFAOYSA-N 0 3 288.394 3.826 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000599059176 1127653732 /nfs/dbraw/zinc/65/37/32/1127653732.db2.gz OLNVCGWXNSTAJH-YUELXQCFSA-N 0 3 290.357 3.836 20 30 CHEDHN Cc1ccccc1CN1CCc2c(CC#N)cccc2C1 ZINC000599675368 1127686400 /nfs/dbraw/zinc/68/64/00/1127686400.db2.gz JLFKEAJRKBBYTC-UHFFFAOYSA-N 0 3 276.383 3.619 20 30 CHEDHN C=CCOc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297163877 1127690222 /nfs/dbraw/zinc/69/02/22/1127690222.db2.gz DAMQOORFUZTMNF-KRWDZBQOSA-N 0 3 295.382 3.734 20 30 CHEDHN C=CCCCN(C)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000605740682 1127746962 /nfs/dbraw/zinc/74/69/62/1127746962.db2.gz LRLTXXNJGHTMRA-UHFFFAOYSA-N 0 3 286.375 3.748 20 30 CHEDHN C=CCCCN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000606432531 1127761468 /nfs/dbraw/zinc/76/14/68/1127761468.db2.gz IRUVHSDYZOUMRX-KRWDZBQOSA-N 0 3 287.382 3.547 20 30 CHEDHN N#CCC1CCN(CCSc2ccccc2F)CC1 ZINC000543809410 1127773082 /nfs/dbraw/zinc/77/30/82/1127773082.db2.gz NDFZAWOADKUOMA-UHFFFAOYSA-N 0 3 278.396 3.543 20 30 CHEDHN Cc1cc(Cl)ccc1CNCc1ccc(C#N)cc1 ZINC000231746214 1127849488 /nfs/dbraw/zinc/84/94/88/1127849488.db2.gz IIHVTYCGPSZGQV-UHFFFAOYSA-N 0 3 270.763 3.810 20 30 CHEDHN CCN(CCc1cccs1)Cc1ccc(C#N)cc1F ZINC000063755668 1127865558 /nfs/dbraw/zinc/86/55/58/1127865558.db2.gz JAEILDQEKZDXCU-UHFFFAOYSA-N 0 3 288.391 3.823 20 30 CHEDHN C[C@@H](CCC#N)N1CCC(F)(c2ccccc2)CC1 ZINC000411678684 1127868764 /nfs/dbraw/zinc/86/87/64/1127868764.db2.gz BXSXLMIISFMAHK-AWEZNQCLSA-N 0 3 260.356 3.639 20 30 CHEDHN C[C@@H](CCC#N)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000411753089 1127873260 /nfs/dbraw/zinc/87/32/60/1127873260.db2.gz FEVKJAGKBOEBNK-JSGCOSHPSA-N 0 3 262.784 3.822 20 30 CHEDHN CC[C@@H]1CN(CC2(C#N)CC2)CC[C@@H]1c1ccccc1 ZINC000539451291 1127923251 /nfs/dbraw/zinc/92/32/51/1127923251.db2.gz LCMPSEXLYOTWPP-WBVHZDCISA-N 0 3 268.404 3.806 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000539507968 1127927519 /nfs/dbraw/zinc/92/75/19/1127927519.db2.gz QZXXVTCMONLUBL-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN Cc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000539608672 1127932186 /nfs/dbraw/zinc/93/21/86/1127932186.db2.gz YARADOOOLBYVOO-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN COc1ccc2c(c1)C[C@H](C)N(CCC(C)(C)C#N)[C@@H]2C ZINC000543846278 1127949193 /nfs/dbraw/zinc/94/91/93/1127949193.db2.gz ADGKKOFJMMXBQD-UONOGXRCSA-N 0 3 286.419 3.943 20 30 CHEDHN C=CCCCCCN(C)Cc1cn(C(C)C)nc1C ZINC000467438693 1127969199 /nfs/dbraw/zinc/96/91/99/1127969199.db2.gz PMAUCQOBWYFEAC-UHFFFAOYSA-N 0 3 263.429 3.951 20 30 CHEDHN N#CCCCCNc1ccc(F)c(CN2CCCC2)c1 ZINC001168435570 1127983295 /nfs/dbraw/zinc/98/32/95/1127983295.db2.gz DCZOLGJLSMPDKW-UHFFFAOYSA-N 0 3 275.371 3.527 20 30 CHEDHN CC(C)[C@@H](c1ccccc1)N(C)Cc1cncc(C#N)c1 ZINC000929632472 1127994277 /nfs/dbraw/zinc/99/42/77/1127994277.db2.gz XKEJTXULYIYORS-SFHVURJKSA-N 0 3 279.387 3.782 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000213404281 1127999039 /nfs/dbraw/zinc/99/90/39/1127999039.db2.gz OOSFBHBQXXQGKL-HNNXBMFYSA-N 0 3 260.356 3.852 20 30 CHEDHN C=CCCC[C@H](C)N[C@@H](COC)c1ccc(CC)o1 ZINC000541628619 1128032096 /nfs/dbraw/zinc/03/20/96/1128032096.db2.gz HQCPMLROHRVZGW-ZFWWWQNUSA-N 0 3 265.397 3.864 20 30 CHEDHN C[C@@H]1CCC[C@H](C)CN1Cc1cc(F)ccc1C#N ZINC000469098251 1128035154 /nfs/dbraw/zinc/03/51/54/1128035154.db2.gz XAAZAOVIUCMFDV-QWHCGFSZSA-N 0 3 260.356 3.708 20 30 CHEDHN COc1cc(C)cc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271919546 1128080544 /nfs/dbraw/zinc/08/05/44/1128080544.db2.gz DDSUFIZJOYPUDT-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000924532790 1128102124 /nfs/dbraw/zinc/10/21/24/1128102124.db2.gz URLCBEVUMWILES-QWRGUYRKSA-N 0 3 266.335 3.944 20 30 CHEDHN C=CCSCCN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000925353171 1128128258 /nfs/dbraw/zinc/12/82/58/1128128258.db2.gz QRNXUDXNAPBFEA-CYBMUJFWSA-N 0 3 282.840 3.621 20 30 CHEDHN COCC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(C)o1 ZINC000926110026 1128155358 /nfs/dbraw/zinc/15/53/58/1128155358.db2.gz PBTGERGBIFNLNW-OCCSQVGLSA-N 0 3 278.396 3.584 20 30 CHEDHN C=CCCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001307635434 1128161138 /nfs/dbraw/zinc/16/11/38/1128161138.db2.gz MJVNUMWCYHRTTO-GJZGRUSLSA-N 0 3 296.455 3.672 20 30 CHEDHN CCSc1cc(CN[C@H](C)CC(C)(C)C#N)ccn1 ZINC000926226409 1128161688 /nfs/dbraw/zinc/16/16/88/1128161688.db2.gz LRCZSTSVKIIQPS-GFCCVEGCSA-N 0 3 277.437 3.612 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(C#N)c(Cl)c1 ZINC000926369778 1128170470 /nfs/dbraw/zinc/17/04/70/1128170470.db2.gz KNGJDWMTTVITBU-LLVKDONJSA-N 0 3 275.783 3.630 20 30 CHEDHN CC[C@@H](NCC#Cc1ccccc1Cl)[C@@H]1CCCCO1 ZINC000653874726 1128171481 /nfs/dbraw/zinc/17/14/81/1128171481.db2.gz KAVNMESOMIWAIK-SJORKVTESA-N 0 3 291.822 3.629 20 30 CHEDHN C=CCC1(CN[C@H](C)c2cn(C(C)C)nn2)CCCC1 ZINC000926543118 1128180148 /nfs/dbraw/zinc/18/01/48/1128180148.db2.gz VLXMNYHWLNYUMB-CQSZACIVSA-N 0 3 276.428 3.646 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(OC)no1 ZINC000926591411 1128182809 /nfs/dbraw/zinc/18/28/09/1128182809.db2.gz LJIOUVRDRUVSSX-DZGCQCFKSA-N 0 3 286.375 3.521 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000926864766 1128198918 /nfs/dbraw/zinc/19/89/18/1128198918.db2.gz OMRMNTPFKDAOLF-RDJZCZTQSA-N 0 3 296.418 3.542 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](c1ccccn1)C1CCC1 ZINC000926753394 1128192238 /nfs/dbraw/zinc/19/22/38/1128192238.db2.gz SPYQKFUAUVBTBW-CJNGLKHVSA-N 0 3 271.408 3.841 20 30 CHEDHN CC(C)(C)[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)CS1 ZINC000754145880 1128200511 /nfs/dbraw/zinc/20/05/11/1128200511.db2.gz WBBLNFBYNDIOLD-UKRRQHHQSA-N 0 3 292.423 3.707 20 30 CHEDHN C=C1CCC(CN[C@H](c2ccccc2)c2ccncn2)CC1 ZINC000926925155 1128203627 /nfs/dbraw/zinc/20/36/27/1128203627.db2.gz IIUBUPCCVUGCBN-LJQANCHMSA-N 0 3 293.414 3.902 20 30 CHEDHN CC[C@@H](N[C@@H](c1cnn(C)c1)C(C)C)c1ccc(C#N)cc1 ZINC000927071744 1128215468 /nfs/dbraw/zinc/21/54/68/1128215468.db2.gz UKLWWDAYMLPOQX-QZTJIDSGSA-N 0 3 296.418 3.730 20 30 CHEDHN CCC[C@@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001257329482 1128238370 /nfs/dbraw/zinc/23/83/70/1128238370.db2.gz YWVNQIQOOFIWAT-CQSZACIVSA-N 0 3 274.383 3.871 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN(Cc1ccccn1)C(C)C ZINC000929293509 1128268099 /nfs/dbraw/zinc/26/80/99/1128268099.db2.gz XLZPEBLQLMWZJI-UHFFFAOYSA-N 0 3 293.414 3.981 20 30 CHEDHN C[C@]1(c2ccccc2)CCCN(Cc2cncc(C#N)c2)C1 ZINC000929641192 1128280255 /nfs/dbraw/zinc/28/02/55/1128280255.db2.gz NKFIVJOGMKHNNF-IBGZPJMESA-N 0 3 291.398 3.507 20 30 CHEDHN C#CCCN1CCN([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000762294972 1128289430 /nfs/dbraw/zinc/28/94/30/1128289430.db2.gz UQXNWICKBJXBRU-QGZVFWFLSA-N 0 3 292.426 3.542 20 30 CHEDHN C[C@@H]1CN(CC2CCC(C#N)CC2)[C@@H](c2ccccc2)CO1 ZINC000929760010 1128285480 /nfs/dbraw/zinc/28/54/80/1128285480.db2.gz NBUXRYJJGNKTQB-RMFNQSEZSA-N 0 3 298.430 3.778 20 30 CHEDHN C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])[N@@H+]1CCCC[C@H]1C ZINC000915271433 1128298432 /nfs/dbraw/zinc/29/84/32/1128298432.db2.gz URVMJEVFHQQORT-LDQMOMIISA-N 0 3 294.826 3.727 20 30 CHEDHN C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])[N@H+]1CCCC[C@H]1C ZINC000915271433 1128298434 /nfs/dbraw/zinc/29/84/34/1128298434.db2.gz URVMJEVFHQQORT-LDQMOMIISA-N 0 3 294.826 3.727 20 30 CHEDHN C[C@H]1C[C@H](c2ccccc2)N(Cc2cncc(C#N)c2)C1 ZINC000930473865 1128320768 /nfs/dbraw/zinc/32/07/68/1128320768.db2.gz DGPDQCCJXDQBIV-KBXCAEBGSA-N 0 3 277.371 3.536 20 30 CHEDHN C[C@]1(F)CCCN(CCCCC2(C#N)CCC2)C1 ZINC000930594434 1128327497 /nfs/dbraw/zinc/32/74/97/1128327497.db2.gz JASWINTVEUZQLL-AWEZNQCLSA-N 0 3 252.377 3.675 20 30 CHEDHN CC(C)(C)c1ccc(C[NH+]2CCC(S)CC2)c([O-])c1 ZINC001235679977 1128346990 /nfs/dbraw/zinc/34/69/90/1128346990.db2.gz RMUAQNIQIUTFFM-UHFFFAOYSA-N 0 3 279.449 3.584 20 30 CHEDHN CCOCc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000193892486 1128358169 /nfs/dbraw/zinc/35/81/69/1128358169.db2.gz RXIUNFGUZQGXPS-OAHLLOKOSA-N 0 3 294.398 3.946 20 30 CHEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CCC(C)(C)C ZINC001123338276 1128364451 /nfs/dbraw/zinc/36/44/51/1128364451.db2.gz ZQZWAUWQYZFZFT-CHWSQXEVSA-N 0 3 275.396 3.542 20 30 CHEDHN N#Cc1cccc(CN2CCCO[C@H](c3ccccc3)C2)c1 ZINC000609233698 1128370091 /nfs/dbraw/zinc/37/00/91/1128370091.db2.gz GXQWOZJYQQLZJZ-IBGZPJMESA-N 0 3 292.382 3.522 20 30 CHEDHN C/C(=C\c1ccccc1)CNCc1ccc(C#N)cc1F ZINC000609239627 1128389657 /nfs/dbraw/zinc/38/96/57/1128389657.db2.gz VJEQJOKHJWDBOP-NTEUORMPSA-N 0 3 280.346 3.890 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(F)(C2CC2)CC1 ZINC000932627606 1128418272 /nfs/dbraw/zinc/41/82/72/1128418272.db2.gz WOQWWBAXODINAD-ZDUSSCGKSA-N 0 3 272.367 3.833 20 30 CHEDHN Cc1noc(C)c1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613167 1128439237 /nfs/dbraw/zinc/43/92/37/1128439237.db2.gz XATLBYGEXPMNBC-UHFFFAOYSA-N 0 3 295.386 3.543 20 30 CHEDHN C[C@H](CCC#N)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933658137 1128439875 /nfs/dbraw/zinc/43/98/75/1128439875.db2.gz WOLKEYRWNWSKCF-CRAIPNDOSA-N 0 3 282.387 3.619 20 30 CHEDHN N#CC(C(=O)C=Cc1ccco1)c1ccc2ccccc2n1 ZINC000916849565 1128457204 /nfs/dbraw/zinc/45/72/04/1128457204.db2.gz UVCRACQWEURSPP-WWRUEGTHSA-N 0 3 288.306 3.717 20 30 CHEDHN N#CC(C(=O)CC1CCCC1)c1ccc2ccccc2n1 ZINC000916848787 1128457349 /nfs/dbraw/zinc/45/73/49/1128457349.db2.gz GXGTXJJZIVMHFE-OAHLLOKOSA-N 0 3 278.355 3.991 20 30 CHEDHN Clc1ccc(C#CCN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000934692420 1128466633 /nfs/dbraw/zinc/46/66/33/1128466633.db2.gz OHIAYYSQZLBHFM-GOSISDBHSA-N 0 3 296.801 3.827 20 30 CHEDHN Cc1cc(CN[C@@H](c2ccncc2)C2CC2)ccc1C#N ZINC000934699367 1128467313 /nfs/dbraw/zinc/46/73/13/1128467313.db2.gz WIJVVDAWFRKDBU-GOSISDBHSA-N 0 3 277.371 3.503 20 30 CHEDHN Cc1ccc(C)c(N2CCN(CC(C)(C)CCC#N)CC2)c1 ZINC000128529650 1128501751 /nfs/dbraw/zinc/50/17/51/1128501751.db2.gz LAYYFOKDNADNNL-UHFFFAOYSA-N 0 3 299.462 3.755 20 30 CHEDHN CCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC000703748625 1128560512 /nfs/dbraw/zinc/56/05/12/1128560512.db2.gz PRTVPPVVIGIKLQ-UHFFFAOYSA-N 0 3 256.371 3.716 20 30 CHEDHN C=CC1CCN(Cc2ccc(SC)s2)CC1 ZINC000567091463 1128557501 /nfs/dbraw/zinc/55/75/01/1128557501.db2.gz YJNLDCIESNZGEI-UHFFFAOYSA-N 0 3 253.436 3.868 20 30 CHEDHN COc1cccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000568776629 1128591506 /nfs/dbraw/zinc/59/15/06/1128591506.db2.gz WOQZDFNXCRYADC-BFUOFWGJSA-N 0 3 292.382 3.905 20 30 CHEDHN CCc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)s1 ZINC000571693991 1128638435 /nfs/dbraw/zinc/63/84/35/1128638435.db2.gz FIFDGCCGBMFHSS-KRWDZBQOSA-N 0 3 282.412 3.959 20 30 CHEDHN COc1cc(CNC/C=C/c2ccc(F)cc2)ccc1C#N ZINC000571724882 1128638451 /nfs/dbraw/zinc/63/84/51/1128638451.db2.gz FUTSKXXDPZWKLB-NSCUHMNNSA-N 0 3 296.345 3.509 20 30 CHEDHN Cc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000047631067 1128672384 /nfs/dbraw/zinc/67/23/84/1128672384.db2.gz LOPMIZPTUVEXIO-UHFFFAOYSA-N 0 3 268.360 3.870 20 30 CHEDHN CCCCCCC[C@H](C)N(C)Cc1cnc(C)nc1 ZINC001258050957 1128695952 /nfs/dbraw/zinc/69/59/52/1128695952.db2.gz ZZIXKVNKLYONEW-AWEZNQCLSA-N 0 3 263.429 3.966 20 30 CHEDHN C=CCCCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000649255339 1128696092 /nfs/dbraw/zinc/69/60/92/1128696092.db2.gz RAJFIGYHFCQZNA-INIZCTEOSA-N 0 3 263.381 3.617 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2ncccc21)c1ccc(C#N)cc1 ZINC000601264854 1128707174 /nfs/dbraw/zinc/70/71/74/1128707174.db2.gz ILAOKXGJUOHHTF-FZKQIMNGSA-N 0 3 277.371 3.681 20 30 CHEDHN N#CCOc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000175006969 1128714267 /nfs/dbraw/zinc/71/42/67/1128714267.db2.gz KWBDOJHCXOQNLJ-SFHVURJKSA-N 0 3 296.345 3.505 20 30 CHEDHN C=CCC(C)(C)CNCc1csc(C2CC2)n1 ZINC000339417083 1117777679 /nfs/dbraw/zinc/77/76/79/1117777679.db2.gz QVPBALSYYYFXJF-UHFFFAOYSA-N 0 3 250.411 3.712 20 30 CHEDHN C=CCCCCN1CCc2nccc(Br)c2C1 ZINC000623287207 1117830575 /nfs/dbraw/zinc/83/05/75/1117830575.db2.gz TWANAXHSGBJRPU-UHFFFAOYSA-N 0 3 295.224 3.559 20 30 CHEDHN Cc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1F ZINC000237576730 1128744350 /nfs/dbraw/zinc/74/43/50/1128744350.db2.gz UGPNBEKAAMDMOP-CQSZACIVSA-N 0 3 298.361 3.715 20 30 CHEDHN Cc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237576780 1128744420 /nfs/dbraw/zinc/74/44/20/1128744420.db2.gz COVAKPKUVWKDPO-OAHLLOKOSA-N 0 3 280.371 3.576 20 30 CHEDHN CCC[C@H](NCc1ccc(CC#N)cc1)c1cccnc1 ZINC000579353131 1128745544 /nfs/dbraw/zinc/74/55/44/1128745544.db2.gz SYPLOOQGVFIZAD-SFHVURJKSA-N 0 3 279.387 3.779 20 30 CHEDHN CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000179569087 1128748043 /nfs/dbraw/zinc/74/80/43/1128748043.db2.gz NGMHOWUPMWHGIS-UHFFFAOYSA-N 0 3 280.371 3.674 20 30 CHEDHN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000179569087 1128748046 /nfs/dbraw/zinc/74/80/46/1128748046.db2.gz NGMHOWUPMWHGIS-UHFFFAOYSA-N 0 3 280.371 3.674 20 30 CHEDHN C=CCCCCCCCN1CC[C@](O)(C(F)(F)F)C1 ZINC001209438709 1118057205 /nfs/dbraw/zinc/05/72/05/1118057205.db2.gz UALMRSSXDJTUJL-CYBMUJFWSA-N 0 3 279.346 3.512 20 30 CHEDHN C#CCN(CC1=CCCC1)[C@@H]1CCc2ccccc21 ZINC001167178509 1118086515 /nfs/dbraw/zinc/08/65/15/1118086515.db2.gz COTLXCAXMJRSPT-GOSISDBHSA-N 0 3 251.373 3.719 20 30 CHEDHN COc1cc(CN[C@@H](c2cccs2)C2CC2)ccc1C#N ZINC000579651459 1128754860 /nfs/dbraw/zinc/75/48/60/1128754860.db2.gz GZCYLHMERZMPRM-QGZVFWFLSA-N 0 3 298.411 3.869 20 30 CHEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 ZINC000579666142 1128755155 /nfs/dbraw/zinc/75/51/55/1128755155.db2.gz ZPXGJIYYVGOIJT-NSHDSACASA-N 0 3 282.309 3.530 20 30 CHEDHN C#CCN[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000764598139 1118101319 /nfs/dbraw/zinc/10/13/19/1118101319.db2.gz CFKRWYYRQWFJBC-AWEZNQCLSA-N 0 3 265.356 3.646 20 30 CHEDHN N#CCCCOc1cccc(CNCc2cccc(F)c2)c1 ZINC000237791208 1128760332 /nfs/dbraw/zinc/76/03/32/1128760332.db2.gz SNETWYDJCRWMFB-UHFFFAOYSA-N 0 3 298.361 3.798 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2ccc(F)cc2F)C2CC2)C1 ZINC001168541791 1118157626 /nfs/dbraw/zinc/15/76/26/1118157626.db2.gz LFZHMNAQNRIYSW-ZXIHIIQKSA-N 0 3 276.330 3.698 20 30 CHEDHN N#CCCCOc1cccc(CNCc2cccs2)c1 ZINC000237820173 1128762427 /nfs/dbraw/zinc/76/24/27/1128762427.db2.gz BHRNCODLRHIJOR-UHFFFAOYSA-N 0 3 286.400 3.720 20 30 CHEDHN N#Cc1cccc(OCCN(Cc2cccs2)C2CC2)c1 ZINC000048334752 1118203854 /nfs/dbraw/zinc/20/38/54/1118203854.db2.gz MRDNYSUXNBCWQQ-UHFFFAOYSA-N 0 3 298.411 3.663 20 30 CHEDHN Cc1cccc(C(C)(C)NCc2cc(C#N)cs2)c1 ZINC000177703661 1118377248 /nfs/dbraw/zinc/37/72/48/1118377248.db2.gz QXYBEJOHGYIJPZ-UHFFFAOYSA-N 0 3 270.401 3.953 20 30 CHEDHN C=CCCCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000471591057 1118475268 /nfs/dbraw/zinc/47/52/68/1118475268.db2.gz QLPVSYSVHJBWHT-KRWDZBQOSA-N 0 3 287.382 3.595 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCCC23CCCCC3)n1 ZINC000313008769 1118521235 /nfs/dbraw/zinc/52/12/35/1118521235.db2.gz FJKSYGZTPAEUFI-ZDUSSCGKSA-N 0 3 275.421 3.607 20 30 CHEDHN C[C@H]1Cc2ccccc2[C@H]1NCc1cc(C#N)cs1 ZINC000334261650 1118547619 /nfs/dbraw/zinc/54/76/19/1118547619.db2.gz YDRHYZNNWVHDON-ZBEGNZNMSA-N 0 3 268.385 3.643 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccccc2C)c1 ZINC000073012221 1118609557 /nfs/dbraw/zinc/60/95/57/1118609557.db2.gz GARNSQNDVIDUCG-SFHVURJKSA-N 0 3 294.398 3.966 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(O)c1 ZINC000335785679 1118648830 /nfs/dbraw/zinc/64/88/30/1118648830.db2.gz OYVQPXHDVUGHSO-LJQANCHMSA-N 0 3 292.382 3.821 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(C#N)cc1 ZINC000335871756 1118653489 /nfs/dbraw/zinc/65/34/89/1118653489.db2.gz PNEANISOLLLRIT-BFUOFWGJSA-N 0 3 287.366 3.768 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCCS2)c([O-])c1 ZINC000255354008 1118661340 /nfs/dbraw/zinc/66/13/40/1118661340.db2.gz QNVNSPAEZBXOPE-ZCQLHAAUSA-N 0 3 292.448 3.553 20 30 CHEDHN C[C@@]1(NCc2ccc(CC#N)cc2)CCOc2ccccc21 ZINC000933375760 1118676876 /nfs/dbraw/zinc/67/68/76/1118676876.db2.gz UGQUYAOPALDHOK-LJQANCHMSA-N 0 3 292.382 3.540 20 30 CHEDHN Cc1cccc([C@H](C)NCc2cccc(C#N)c2)c1 ZINC000037748911 1128798150 /nfs/dbraw/zinc/79/81/50/1128798150.db2.gz BHQXXTYQYIRJER-AWEZNQCLSA-N 0 3 250.345 3.718 20 30 CHEDHN CC1(C)Cc2occc2[C@@H](NCC2(CC#N)CC2)C1 ZINC000430735537 1118765005 /nfs/dbraw/zinc/76/50/05/1118765005.db2.gz REGJZDDSYXXGSW-ZDUSSCGKSA-N 0 3 258.365 3.577 20 30 CHEDHN N#CCC1(CN[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000430743922 1118766202 /nfs/dbraw/zinc/76/62/02/1118766202.db2.gz MCTWFVXUESELPN-ZDUSSCGKSA-N 0 3 276.380 3.646 20 30 CHEDHN CCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000176101510 1118856532 /nfs/dbraw/zinc/85/65/32/1118856532.db2.gz BQUQBLVMFYGMFS-LLVKDONJSA-N 0 3 268.316 3.584 20 30 CHEDHN N#CC1(F)CCN(CCc2ccc3ccccc3c2)CC1 ZINC000510935955 1118869527 /nfs/dbraw/zinc/86/95/27/1118869527.db2.gz NYVRXZCTCRSFGW-UHFFFAOYSA-N 0 3 282.362 3.710 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2[nH]cnc2c1 ZINC000535795735 1118888432 /nfs/dbraw/zinc/88/84/32/1118888432.db2.gz KSGAZEQIDHVDDV-UHFFFAOYSA-N 0 3 277.371 3.751 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2nc[nH]c2c1 ZINC000535795735 1118888434 /nfs/dbraw/zinc/88/84/34/1118888434.db2.gz KSGAZEQIDHVDDV-UHFFFAOYSA-N 0 3 277.371 3.751 20 30 CHEDHN N#Cc1ccc(CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000247639606 1118897598 /nfs/dbraw/zinc/89/75/98/1118897598.db2.gz GKCOFQLLFPQTTO-UHFFFAOYSA-N 0 3 280.346 3.862 20 30 CHEDHN C=C(C)COc1cc(CN(C)CC(=C)C)ccc1OC ZINC000181043008 1118900947 /nfs/dbraw/zinc/90/09/47/1118900947.db2.gz BIYQYIVHBRNTCQ-UHFFFAOYSA-N 0 3 275.392 3.658 20 30 CHEDHN C=CC1CCN([C@H](C)c2nc3ccccc3o2)CC1 ZINC000181106565 1118903581 /nfs/dbraw/zinc/90/35/81/1118903581.db2.gz UOGOAICBHGXCAK-GFCCVEGCSA-N 0 3 256.349 3.787 20 30 CHEDHN N#Cc1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)ccn1 ZINC000610993133 1118918971 /nfs/dbraw/zinc/91/89/71/1118918971.db2.gz FHRROYOUNWEIPJ-GOSISDBHSA-N 0 3 295.361 3.723 20 30 CHEDHN C[C@@]1(c2ccccc2)CCCN(Cc2ccnc(C#N)c2)C1 ZINC000610993432 1118919050 /nfs/dbraw/zinc/91/90/50/1118919050.db2.gz RJIRYIIHZNZVGP-LJQANCHMSA-N 0 3 291.398 3.507 20 30 CHEDHN N#CC(C(=O)c1cc2c(s1)CCCCC2)c1ccccn1 ZINC000041493526 1118946457 /nfs/dbraw/zinc/94/64/57/1118946457.db2.gz LQUNWIRVKFNCAE-CYBMUJFWSA-N 0 3 296.395 3.902 20 30 CHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccnc(OC)c2)cc1 ZINC000342292300 1118969788 /nfs/dbraw/zinc/96/97/88/1118969788.db2.gz GBQKMLXZSKAJBG-AWEZNQCLSA-N 0 3 298.386 3.506 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000105487515 1118982546 /nfs/dbraw/zinc/98/25/46/1118982546.db2.gz AMQAKLFKWKKGGL-AWEZNQCLSA-N 0 3 298.361 3.887 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000157553358 1118982802 /nfs/dbraw/zinc/98/28/02/1118982802.db2.gz PKAPFCATLQHVJW-OAHLLOKOSA-N 0 3 260.356 3.902 20 30 CHEDHN C=CCN1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511074146 1119011341 /nfs/dbraw/zinc/01/13/41/1119011341.db2.gz SYBMJPJYEUGDBS-UHFFFAOYSA-N 0 3 272.417 3.836 20 30 CHEDHN C=CCCn1cc(CN[C@@H](C)CCC2CCCCC2)nn1 ZINC000657362797 1119029757 /nfs/dbraw/zinc/02/97/57/1119029757.db2.gz IMMDWLNRSXCGDS-HNNXBMFYSA-N 0 3 290.455 3.693 20 30 CHEDHN N#CCC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000180862614 1128817638 /nfs/dbraw/zinc/81/76/38/1128817638.db2.gz DQRCZYCRBDUDBJ-MRXNPFEDSA-N 0 3 284.334 3.666 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1cccs1 ZINC000135685408 1119213726 /nfs/dbraw/zinc/21/37/26/1119213726.db2.gz UNVXBTBDPNJLEC-GFCCVEGCSA-N 0 3 262.403 3.922 20 30 CHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000078878086 1119258097 /nfs/dbraw/zinc/25/80/97/1119258097.db2.gz PINZQTLYQRTBPF-HNNXBMFYSA-N 0 3 292.382 3.974 20 30 CHEDHN C=CCCN(C)Cc1cnc(-c2ccsc2)s1 ZINC000343473160 1119427882 /nfs/dbraw/zinc/42/78/82/1119427882.db2.gz RKEREUOFJQPWHC-UHFFFAOYSA-N 0 3 264.419 3.880 20 30 CHEDHN C=CC[C@@H](CC)N[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000343511157 1119438711 /nfs/dbraw/zinc/43/87/11/1119438711.db2.gz SUKBYJPXFXBMEZ-DZGCQCFKSA-N 0 3 284.407 3.581 20 30 CHEDHN COc1ccc(OC)c(CN(CCCC#N)C(C)(C)C)c1 ZINC000132231943 1119444206 /nfs/dbraw/zinc/44/42/06/1119444206.db2.gz ZSVVOHLYVSNJBO-UHFFFAOYSA-N 0 3 290.407 3.608 20 30 CHEDHN C=CC[C@H](CC)NCc1cc(O)ccc1Br ZINC000381338293 1119476702 /nfs/dbraw/zinc/47/67/02/1119476702.db2.gz WNZJFLDXQMSGQW-NSHDSACASA-N 0 3 284.197 3.599 20 30 CHEDHN C[C@@H]1CCC[C@H](N(C)Cc2ccc(F)cc2C#N)C1 ZINC000343731040 1119497163 /nfs/dbraw/zinc/49/71/63/1119497163.db2.gz YRTDQWGWTHVWNG-WBMJQRKESA-N 0 3 260.356 3.708 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cn(C(C)C)nn1 ZINC000926590659 1119614891 /nfs/dbraw/zinc/61/48/91/1119614891.db2.gz DSARWDRMWRTHPK-NVXWUHKLSA-N 0 3 298.434 3.697 20 30 CHEDHN C=C(C)[C@H](N[C@H]1COC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000657980811 1119659505 /nfs/dbraw/zinc/65/95/05/1119659505.db2.gz DRJGCVOTUCGNLA-CJNGLKHVSA-N 0 3 293.357 3.883 20 30 CHEDHN N#CC(C(=O)c1ccccc1)c1nc(C2CC2)cs1 ZINC000647371737 1119699372 /nfs/dbraw/zinc/69/93/72/1119699372.db2.gz XUGMGMKIAIJNLO-GFCCVEGCSA-N 0 3 268.341 3.511 20 30 CHEDHN CC(C)C[C@@H](NCc1ccnc(C#N)c1)c1cccs1 ZINC000612475327 1119790388 /nfs/dbraw/zinc/79/03/88/1119790388.db2.gz CADGFBWJVHVELF-OAHLLOKOSA-N 0 3 285.416 3.892 20 30 CHEDHN CCSCC[C@@H](C)N(C)Cc1ccc(C#N)s1 ZINC000180248321 1119962713 /nfs/dbraw/zinc/96/27/13/1119962713.db2.gz RCIKBAIDDLRFBK-LLVKDONJSA-N 0 3 268.451 3.583 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nccs1 ZINC000414302530 1119973336 /nfs/dbraw/zinc/97/33/36/1119973336.db2.gz MOIQIAJIHISEHU-ZFWWWQNUSA-N 0 3 272.417 3.981 20 30 CHEDHN CCOc1cccc([C@H](C)NCc2ccc(F)c(C#N)c2)c1 ZINC000180678667 1120003766 /nfs/dbraw/zinc/00/37/66/1120003766.db2.gz ITHITEQJVOPMAV-ZDUSSCGKSA-N 0 3 298.361 3.947 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccncc1 ZINC000186314264 1120024206 /nfs/dbraw/zinc/02/42/06/1120024206.db2.gz NTQZJPAFYPAUAA-GOSISDBHSA-N 0 3 277.371 3.599 20 30 CHEDHN C=CCN(Cc1ccc(OC)c(Br)c1)C1CC1 ZINC000542692119 1120119700 /nfs/dbraw/zinc/11/97/00/1120119700.db2.gz YYUKZIMBWKLCJS-UHFFFAOYSA-N 0 3 296.208 3.608 20 30 CHEDHN C=CCSCCN[C@H](C)c1cccc(F)c1F ZINC000183290640 1120132133 /nfs/dbraw/zinc/13/21/33/1120132133.db2.gz OKPYOSYMDUJZOF-SNVBAGLBSA-N 0 3 257.349 3.535 20 30 CHEDHN C[C@@H]1C[C@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000264398625 1120188233 /nfs/dbraw/zinc/18/82/33/1120188233.db2.gz VBGSJFZHABOJMW-ACJLOTCBSA-N 0 3 262.356 3.896 20 30 CHEDHN C[C@]1(NCc2csc(C#N)c2)CCCc2ccccc21 ZINC000921746836 1120195095 /nfs/dbraw/zinc/19/50/95/1120195095.db2.gz NQRHBWQASITUHS-KRWDZBQOSA-N 0 3 282.412 3.961 20 30 CHEDHN N#Cc1cccc(CN2CCCc3ccccc3C2)c1 ZINC000062944639 1120257017 /nfs/dbraw/zinc/25/70/17/1120257017.db2.gz HCINSVGVSVQUNQ-UHFFFAOYSA-N 0 3 262.356 3.507 20 30 CHEDHN C#CCCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000779397428 1128906331 /nfs/dbraw/zinc/90/63/31/1128906331.db2.gz AFQIJPSHBWIMCF-IBGZPJMESA-N 0 3 290.366 3.920 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CCC#N)c1ccccc1 ZINC000925602243 1120443078 /nfs/dbraw/zinc/44/30/78/1120443078.db2.gz SNDKTSCQDHLZAT-HOCLYGCPSA-N 0 3 269.392 3.949 20 30 CHEDHN CC(C)(F)CCNCc1cc(C#N)ccc1Br ZINC000922247020 1120483699 /nfs/dbraw/zinc/48/36/99/1120483699.db2.gz ZYWUSYWWWDNXJQ-UHFFFAOYSA-N 0 3 299.187 3.549 20 30 CHEDHN C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000053422416 1120495499 /nfs/dbraw/zinc/49/54/99/1120495499.db2.gz JFLXFJQXMVIUJN-CYBMUJFWSA-N 0 3 268.335 3.890 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1COC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000418016497 1120504644 /nfs/dbraw/zinc/50/46/44/1120504644.db2.gz WXCYMIVRBYCTPJ-WFASDCNBSA-N 0 3 281.346 3.739 20 30 CHEDHN N#Cc1ccc(CN(Cc2ccccc2)CC2CCC2)o1 ZINC000092507358 1120543357 /nfs/dbraw/zinc/54/33/57/1120543357.db2.gz BYDIMXTYNZVWBF-UHFFFAOYSA-N 0 3 280.371 3.954 20 30 CHEDHN N#CC1(CCCCN2CCOc3ccccc3C2)CCC1 ZINC000929314085 1120591367 /nfs/dbraw/zinc/59/13/67/1120591367.db2.gz NAYGHDIUEHNPLV-UHFFFAOYSA-N 0 3 284.403 3.745 20 30 CHEDHN C[C@@H]1C[C@]1(NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000500393358 1120606023 /nfs/dbraw/zinc/60/60/23/1120606023.db2.gz BCXUWCIVFQLGCF-SJKOYZFVSA-N 0 3 299.805 3.575 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1noc2c1CCCC2 ZINC000661118068 1120720769 /nfs/dbraw/zinc/72/07/69/1120720769.db2.gz WCCYHNFGGKPMIB-DZGCQCFKSA-N 0 3 274.408 3.778 20 30 CHEDHN COc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802451 1128938199 /nfs/dbraw/zinc/93/81/99/1128938199.db2.gz KMOOJVNFRSABHP-YJYMSZOUSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCc1cc(CN2CCC23CCCC3)cc(OC)c1O ZINC000651873420 1120768006 /nfs/dbraw/zinc/76/80/06/1120768006.db2.gz GDIDNVHRPKAIDA-UHFFFAOYSA-N 0 3 287.403 3.648 20 30 CHEDHN COc1cccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618802223 1128939982 /nfs/dbraw/zinc/93/99/82/1128939982.db2.gz DAGSMUXVLKNOEL-DJJJIMSYSA-N 0 3 292.382 3.905 20 30 CHEDHN FCC[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000661688031 1120781609 /nfs/dbraw/zinc/78/16/09/1120781609.db2.gz ALRIIWUQFXISLS-OAHLLOKOSA-N 0 3 279.786 3.763 20 30 CHEDHN C=CC[C@H](C)N[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652166393 1120795146 /nfs/dbraw/zinc/79/51/46/1120795146.db2.gz QNRQKLPQRJPSAT-KSSFIOAISA-N 0 3 282.387 3.734 20 30 CHEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000511897601 1120815021 /nfs/dbraw/zinc/81/50/21/1120815021.db2.gz UEFOEYZZNSKZCQ-GVDBMIGSSA-N 0 3 266.388 3.558 20 30 CHEDHN C=CCC1(NCc2nc(-c3ccccc3)no2)CCCC1 ZINC000661851188 1120825098 /nfs/dbraw/zinc/82/50/98/1120825098.db2.gz NJRHLCXKRAYPIT-UHFFFAOYSA-N 0 3 283.375 3.715 20 30 CHEDHN C=CCCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000662052326 1120866119 /nfs/dbraw/zinc/86/61/19/1120866119.db2.gz QYOVMOAJTGXFQQ-GFCCVEGCSA-N 0 3 274.191 3.583 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000662082440 1120872584 /nfs/dbraw/zinc/87/25/84/1120872584.db2.gz UYJMMQDSTWZDKU-ZACQAIPSSA-N 0 3 298.430 3.813 20 30 CHEDHN CC(C)[C@H]1CCCN1CC#Cc1ccccc1Cl ZINC001641865685 1128951084 /nfs/dbraw/zinc/95/10/84/1128951084.db2.gz KZMYIRHXXTYUDB-MRXNPFEDSA-N 0 3 261.796 3.812 20 30 CHEDHN C=CCC1(O)CCN(Cc2ccccc2SCC)CC1 ZINC000931750843 1121007135 /nfs/dbraw/zinc/00/71/35/1121007135.db2.gz PHUSATRKMLQWDW-UHFFFAOYSA-N 0 3 291.460 3.702 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000585726108 1121022677 /nfs/dbraw/zinc/02/26/77/1121022677.db2.gz UNJCRILAGXJUQR-BFUOFWGJSA-N 0 3 292.382 3.992 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(OC)c(O)c1 ZINC000512038169 1121029811 /nfs/dbraw/zinc/02/98/11/1121029811.db2.gz JFMQELJDBHSLCZ-UHFFFAOYSA-N 0 3 297.398 3.632 20 30 CHEDHN C#CCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000070245575 1128961693 /nfs/dbraw/zinc/96/16/93/1128961693.db2.gz IPCRVVAGXWUVTD-KRWDZBQOSA-N 0 3 253.320 3.528 20 30 CHEDHN C[C@H](NCc1ccsc1)c1ccc(OCC#N)cc1 ZINC000063152418 1121199481 /nfs/dbraw/zinc/19/94/81/1121199481.db2.gz FCLCYJQBIDABCU-LBPRGKRZSA-N 0 3 272.373 3.501 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H](CC)c1ccc(Cl)cc1Cl ZINC000320268847 1121287177 /nfs/dbraw/zinc/28/71/77/1121287177.db2.gz LLNVESJYIZALQS-FZMZJTMJSA-N 0 3 288.218 3.971 20 30 CHEDHN C=C[C@H](C)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000237560241 1121381736 /nfs/dbraw/zinc/38/17/36/1121381736.db2.gz UPRTTWNAZVHUKJ-JTQLQIEISA-N 0 3 263.287 3.889 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1cc(Cl)ccc1OCC ZINC000675933718 1121389342 /nfs/dbraw/zinc/38/93/42/1121389342.db2.gz NSRZQTGEAWOOQM-QWRGUYRKSA-N 0 3 253.773 3.964 20 30 CHEDHN Cc1ccccc1C1(NCc2ccc(OCC#N)cc2)CC1 ZINC000829489446 1121410180 /nfs/dbraw/zinc/41/01/80/1121410180.db2.gz HIDSMINUCIAOCZ-UHFFFAOYSA-N 0 3 292.382 3.676 20 30 CHEDHN C=C(C)[C@@H](NC[C@H](O)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000676495819 1121438798 /nfs/dbraw/zinc/43/87/98/1121438798.db2.gz MNQCVUDWHCVNJV-LSDHHAIUSA-N 0 3 283.362 3.579 20 30 CHEDHN Cc1[nH]nc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000893958644 1121446133 /nfs/dbraw/zinc/44/61/33/1121446133.db2.gz QBXHTPODMJCTJP-UHFFFAOYSA-N 0 3 296.418 3.556 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(C)s2)cc1 ZINC000048068695 1121449645 /nfs/dbraw/zinc/44/96/45/1121449645.db2.gz VMPUGGAUXKFSNG-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN C[C@@]1(C(F)(F)F)CCN(Cc2ccc(CC#N)cc2)C1 ZINC000708720385 1121465902 /nfs/dbraw/zinc/46/59/02/1121465902.db2.gz FVZFKJFVHVSYQN-CQSZACIVSA-N 0 3 282.309 3.527 20 30 CHEDHN CCOc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1 ZINC000093492222 1121481023 /nfs/dbraw/zinc/48/10/23/1121481023.db2.gz CGIXHYNGYBFIAY-GFCCVEGCSA-N 0 3 286.400 3.869 20 30 CHEDHN CCOc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1 ZINC000093492223 1121481246 /nfs/dbraw/zinc/48/12/46/1121481246.db2.gz CGIXHYNGYBFIAY-LBPRGKRZSA-N 0 3 286.400 3.869 20 30 CHEDHN N#CCCN[C@H](CCc1ccccc1)Cc1ccccc1 ZINC000425959051 1121511711 /nfs/dbraw/zinc/51/17/11/1121511711.db2.gz INOYOQICEJSAAU-LJQANCHMSA-N 0 3 278.399 3.734 20 30 CHEDHN C[C@H](N[C@H]1C[C@H]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512659379 1121515797 /nfs/dbraw/zinc/51/57/97/1121515797.db2.gz GIPFFWSXGVKVRV-CRFBAAHOSA-N 0 3 294.373 3.979 20 30 CHEDHN C[C@H](CNCCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000425988821 1121524189 /nfs/dbraw/zinc/52/41/89/1121524189.db2.gz PLUMICLIUKYZJD-AWEZNQCLSA-N 0 3 258.409 3.666 20 30 CHEDHN CC[C@H](CCc1ccc(Br)cc1)NCCC#N ZINC000426005867 1121536401 /nfs/dbraw/zinc/53/64/01/1121536401.db2.gz UGIIKXILRMTMFS-CQSZACIVSA-N 0 3 295.224 3.664 20 30 CHEDHN C[C@H](CCc1cccc(C(F)(F)F)c1)NCC1(C#N)CC1 ZINC000619535180 1128996003 /nfs/dbraw/zinc/99/60/03/1128996003.db2.gz AEOXYRMWXAKFBQ-GFCCVEGCSA-N 0 3 296.336 3.920 20 30 CHEDHN Cc1cccnc1[C@@H]1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000619612234 1128998321 /nfs/dbraw/zinc/99/83/21/1128998321.db2.gz KLRGNSVIICMJKV-HUUCEWRRSA-N 0 3 271.408 3.556 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CC3)CC2)c(OC(F)F)c1 ZINC000611177667 1121629969 /nfs/dbraw/zinc/62/99/69/1121629969.db2.gz SKCJYAQIMSOGGZ-UHFFFAOYSA-N 0 3 292.329 3.536 20 30 CHEDHN N#Cc1cc(CN[C@@H](CC2CC2)c2ccccc2)ccn1 ZINC000611395836 1121644118 /nfs/dbraw/zinc/64/41/18/1121644118.db2.gz XCWLYFJDSXOTSG-SFHVURJKSA-N 0 3 277.371 3.584 20 30 CHEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(C#N)c1 ZINC000611465802 1121650165 /nfs/dbraw/zinc/65/01/65/1121650165.db2.gz UYVHTSWDGZSHRL-CHWSQXEVSA-N 0 3 293.345 3.981 20 30 CHEDHN C=C[C@H](COC)N[C@@H](C)c1cc(Br)ccc1C ZINC001118805809 1121684798 /nfs/dbraw/zinc/68/47/98/1121684798.db2.gz IJGCOFALANKVOY-WCQYABFASA-N 0 3 298.224 3.609 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCc2ccccc2[C@H]1C ZINC000614398480 1121708703 /nfs/dbraw/zinc/70/87/03/1121708703.db2.gz XVOFOTDLNKICQJ-OAHLLOKOSA-N 0 3 276.383 3.986 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC(OC(C)(C)C)CC1 ZINC000614402359 1121708951 /nfs/dbraw/zinc/70/89/51/1121708951.db2.gz AOMHGKKAFIKBOH-UHFFFAOYSA-N 0 3 286.419 3.646 20 30 CHEDHN C=CC[C@@H](NCc1ccc(C)s1)c1ccncc1 ZINC001177885012 1121754747 /nfs/dbraw/zinc/75/47/47/1121754747.db2.gz LUGMYZWGUIVEST-OAHLLOKOSA-N 0 3 258.390 3.859 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN[C@H](C)CC(C)C ZINC001178272031 1121777083 /nfs/dbraw/zinc/77/70/83/1121777083.db2.gz AHIAVCIRHSWQEI-CYBMUJFWSA-N 0 3 279.811 3.876 20 30 CHEDHN CS[C@@H](C)CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000773760707 1121805662 /nfs/dbraw/zinc/80/56/62/1121805662.db2.gz KGHHZGOTSYRAKS-WDEREUQCSA-N 0 3 288.372 3.536 20 30 CHEDHN C#Cc1cccc(CNCc2cccc(OCC=C)c2)c1 ZINC001178948798 1121832652 /nfs/dbraw/zinc/83/26/52/1121832652.db2.gz AXUZQIVMJKURGQ-UHFFFAOYSA-N 0 3 277.367 3.523 20 30 CHEDHN CC(C)C[C@H](NCC(C)(C)CC#N)c1ccccn1 ZINC000414168274 1121835548 /nfs/dbraw/zinc/83/55/48/1121835548.db2.gz QLPFZJDQNINXOY-HNNXBMFYSA-N 0 3 259.397 3.698 20 30 CHEDHN C=C(Cl)CN[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000280138900 1121865752 /nfs/dbraw/zinc/86/57/52/1121865752.db2.gz DOIVXRNXOXYEPL-NWDGAFQWSA-N 0 3 283.799 3.538 20 30 CHEDHN CO[C@]1(C)CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000280378692 1121893512 /nfs/dbraw/zinc/89/35/12/1121893512.db2.gz KXGOPECVXBUDDE-QGZVFWFLSA-N 0 3 291.822 3.583 20 30 CHEDHN C=CCO[C@H]1CCN(C/C=C\c2cc(C)c(C)cc2C)C1 ZINC001180317961 1121973149 /nfs/dbraw/zinc/97/31/49/1121973149.db2.gz SSBBBPHRSPFQJJ-RURPWVQCSA-N 0 3 285.431 3.902 20 30 CHEDHN C=CCO[C@@H]1CCN(C/C=C/c2cc(C)c(C)cc2C)C1 ZINC001180317960 1121973552 /nfs/dbraw/zinc/97/35/52/1121973552.db2.gz SSBBBPHRSPFQJJ-OVKVCFKUSA-N 0 3 285.431 3.902 20 30 CHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccsc1 ZINC000618803000 1121994755 /nfs/dbraw/zinc/99/47/55/1121994755.db2.gz GKGLWZKKSAENCD-ZBEGNZNMSA-N 0 3 268.385 3.958 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2occc21 ZINC000618803968 1122006941 /nfs/dbraw/zinc/00/69/41/1122006941.db2.gz JJYBEUTZESECRL-IRXDYDNUSA-N 0 3 278.355 3.806 20 30 CHEDHN N#CCC1(CNCc2cnc(-c3ccccc3)s2)CC1 ZINC000430041758 1122022705 /nfs/dbraw/zinc/02/27/05/1122022705.db2.gz WRRVYMWGUFJSHB-UHFFFAOYSA-N 0 3 283.400 3.594 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)NCc1csc(CC)n1 ZINC000414530304 1122136431 /nfs/dbraw/zinc/13/64/31/1122136431.db2.gz DQEGMCVPYVGPJG-OAHLLOKOSA-N 0 3 286.444 3.983 20 30 CHEDHN CC(C)(CNCc1cc(C#N)ccc1F)Oc1ccccc1 ZINC001183822799 1122242166 /nfs/dbraw/zinc/24/21/66/1122242166.db2.gz MWRXEKLKKPCAEZ-UHFFFAOYSA-N 0 3 298.361 3.645 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC[C@H]2C[C@H]21 ZINC001138666390 1129048430 /nfs/dbraw/zinc/04/84/30/1129048430.db2.gz QKGJVCWJPDWZCG-GOEBONIOSA-N 0 3 257.377 3.626 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)C[C@H]1C[C@H]1c1ccccc1 ZINC000505264129 1122353457 /nfs/dbraw/zinc/35/34/57/1122353457.db2.gz ALABKICUUUHCPE-AEFFLSMTSA-N 0 3 294.373 3.933 20 30 CHEDHN COc1cc(CN(C)Cc2cccc(C)c2C)ccc1C#N ZINC000430094284 1122402100 /nfs/dbraw/zinc/40/21/00/1122402100.db2.gz JPFBRXCBDYWVEW-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN C=CC[C@@H]1N(Cc2ccc(F)nc2)CCCC1(C)C ZINC000775180560 1122469599 /nfs/dbraw/zinc/46/95/99/1122469599.db2.gz ZZJCPDLOLYYEAA-AWEZNQCLSA-N 0 3 262.372 3.787 20 30 CHEDHN CCCCCCCCCC(=O)N1C[C@@H](CC)N[C@@H](C)C1 ZINC001167959570 1122480153 /nfs/dbraw/zinc/48/01/53/1122480153.db2.gz YSDXBQHARIZYNR-JKSUJKDBSA-N 0 3 282.472 3.726 20 30 CHEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(N(C)C)cc1 ZINC000775363254 1122528094 /nfs/dbraw/zinc/52/80/94/1122528094.db2.gz MAHBGDOXCBUPND-GFCCVEGCSA-N 0 3 285.416 3.537 20 30 CHEDHN CC[C@](C)(NCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000775391741 1122540952 /nfs/dbraw/zinc/54/09/52/1122540952.db2.gz WKIONYBMIJWKNB-IBGZPJMESA-N 0 3 294.398 3.982 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc([O-])c(F)c1 ZINC000775395794 1122542060 /nfs/dbraw/zinc/54/20/60/1122542060.db2.gz UQYXUBSZMAWFEN-QGZVFWFLSA-N 0 3 296.345 3.570 20 30 CHEDHN C=C(Cl)CN(CCC)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001191099119 1122571489 /nfs/dbraw/zinc/57/14/89/1122571489.db2.gz IUJQKJVPPLCZIG-CHWSQXEVSA-N 0 3 259.821 3.655 20 30 CHEDHN C[C@@H](CC(C)(C)c1ccccc1)NC[C@@H](C#N)CCC#N ZINC000516452857 1122602827 /nfs/dbraw/zinc/60/28/27/1122602827.db2.gz BOECJUYRORNONM-JKSUJKDBSA-N 0 3 283.419 3.776 20 30 CHEDHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(C#N)o1 ZINC000516514028 1122606606 /nfs/dbraw/zinc/60/66/06/1122606606.db2.gz CNCQOAOQZMXFNK-STQMWFEESA-N 0 3 260.381 3.798 20 30 CHEDHN Cc1ccc(C)c(OCCN(C)Cc2cccc(C#N)c2)c1 ZINC000506135537 1122657819 /nfs/dbraw/zinc/65/78/19/1122657819.db2.gz MGNWUPVVSPYFOW-UHFFFAOYSA-N 0 3 294.398 3.686 20 30 CHEDHN CN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CC=CCC1 ZINC000439432863 1122778768 /nfs/dbraw/zinc/77/87/68/1122778768.db2.gz WSEIMYMADCTRHI-CYBMUJFWSA-N 0 3 274.795 4.000 20 30 CHEDHN COC1CCC(N(C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000439455963 1122781483 /nfs/dbraw/zinc/78/14/83/1122781483.db2.gz XCYHEIWEPIHDBT-UHFFFAOYSA-N 0 3 292.810 3.601 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000426580448 1122826638 /nfs/dbraw/zinc/82/66/38/1122826638.db2.gz QYNNPDAMHNRXOE-MRXNPFEDSA-N 0 3 267.376 3.617 20 30 CHEDHN C#C[C@@H](NC1CC2(C1)CO[C@@H](C)C2)c1ccc(Cl)cc1 ZINC000894552471 1122872546 /nfs/dbraw/zinc/87/25/46/1122872546.db2.gz HZILGDZYSZDOLW-PDKWGQGHSA-N 0 3 289.806 3.562 20 30 CHEDHN N#CC(C(=O)C1CCCCCC1)c1nc2ccccc2[nH]1 ZINC000102115826 1122882793 /nfs/dbraw/zinc/88/27/93/1122882793.db2.gz PIODYJLXXFODTG-CYBMUJFWSA-N 0 3 281.359 3.710 20 30 CHEDHN C=CCN(CC=C)C/C(C)=C/c1ccccc1COC ZINC000506865215 1122909072 /nfs/dbraw/zinc/90/90/72/1122909072.db2.gz DSZQFKRLWVHOAP-DTQAZKPQSA-N 0 3 271.404 3.910 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cc(OC)ccc2Cl)C1 ZINC001196441740 1122920589 /nfs/dbraw/zinc/92/05/89/1122920589.db2.gz MGPRUEOXPDEMQZ-GFCCVEGCSA-N 0 3 265.784 3.747 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCC3)CC2)o1 ZINC001197201405 1122947681 /nfs/dbraw/zinc/94/76/81/1122947681.db2.gz DBBUTUCSFKZGDE-CQSZACIVSA-N 0 3 258.365 3.553 20 30 CHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(N(C)C)cc1 ZINC000775827912 1122983941 /nfs/dbraw/zinc/98/39/41/1122983941.db2.gz MEXXKPWRSGQBBK-ZDUSSCGKSA-N 0 3 297.377 3.614 20 30 CHEDHN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCC#N ZINC000441064767 1123054628 /nfs/dbraw/zinc/05/46/28/1123054628.db2.gz JGIPDDORMCRILI-UZLBHIALSA-N 0 3 290.410 3.979 20 30 CHEDHN C=CCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000049091338 1123096361 /nfs/dbraw/zinc/09/63/61/1123096361.db2.gz NOWIBTQPDVAVSI-UHFFFAOYSA-N 0 3 292.382 3.755 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C(F)F)c(F)c2)C1 ZINC000895010651 1123099690 /nfs/dbraw/zinc/09/96/90/1123099690.db2.gz UNRPKFCNLQLMGC-GXSJLCMTSA-N 0 3 268.282 3.545 20 30 CHEDHN C#CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000776168251 1123100649 /nfs/dbraw/zinc/10/06/49/1123100649.db2.gz ANXOGLNCCBSFOD-DNVCBOLYSA-N 0 3 274.367 3.973 20 30 CHEDHN CS[C@@H]1CC[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000425337961 1123122382 /nfs/dbraw/zinc/12/23/82/1123122382.db2.gz AOLMVJSHXDXYGZ-RRFJBIMHSA-N 0 3 260.406 3.515 20 30 CHEDHN CCN(CCCCCOc1ccccc1)C[C@H](C)C#N ZINC000189743526 1123143164 /nfs/dbraw/zinc/14/31/64/1123143164.db2.gz IBVQCEHWSSGBKW-MRXNPFEDSA-N 0 3 274.408 3.717 20 30 CHEDHN CCCCCCCN1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001201761844 1123148412 /nfs/dbraw/zinc/14/84/12/1123148412.db2.gz SBQSGLCWFVQRIW-HUUCEWRRSA-N 0 3 251.414 3.790 20 30 CHEDHN CCCCCCCCCCN1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001201853035 1123152334 /nfs/dbraw/zinc/15/23/34/1123152334.db2.gz YTRKJVHDCVNENW-FGTMMUONSA-N 0 3 297.483 3.599 20 30 CHEDHN C=CCCOCCN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000090883963 1123156415 /nfs/dbraw/zinc/15/64/15/1123156415.db2.gz OIONLBSQKNPCCB-WCQYABFASA-N 0 3 283.462 3.856 20 30 CHEDHN CCCCCCCCCCN1CCc2ncn(C)c2C1 ZINC001201875317 1123156654 /nfs/dbraw/zinc/15/66/54/1123156654.db2.gz VHVOTQIGSLNLQA-UHFFFAOYSA-N 0 3 277.456 3.919 20 30 CHEDHN N#Cc1cccc(C2(NCc3cncc4ccccc43)CC2)c1 ZINC000776252916 1123179834 /nfs/dbraw/zinc/17/98/34/1123179834.db2.gz JQRYHJVCLYYLBX-UHFFFAOYSA-N 0 3 299.377 3.885 20 30 CHEDHN C[C@H]1C[C@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000264398642 1123184274 /nfs/dbraw/zinc/18/42/74/1123184274.db2.gz VBGSJFZHABOJMW-UGSOOPFHSA-N 0 3 262.356 3.896 20 30 CHEDHN CC(C)Cc1ccc(CNCc2ccc(CC#N)cc2)cn1 ZINC000895090352 1123188094 /nfs/dbraw/zinc/18/80/94/1123188094.db2.gz MFGMHKOCWDDZEU-UHFFFAOYSA-N 0 3 293.414 3.636 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000850423934 1123265597 /nfs/dbraw/zinc/26/55/97/1123265597.db2.gz DHKVLCQRQOISDL-CQSZACIVSA-N 0 3 292.382 3.734 20 30 CHEDHN C[C@H](NCC1(C#N)CCCCC1)c1ccccc1O ZINC000850549036 1123289102 /nfs/dbraw/zinc/28/91/02/1123289102.db2.gz CRNKXGHTYWIMMQ-ZDUSSCGKSA-N 0 3 258.365 3.517 20 30 CHEDHN N#CC(C(=O)C1CC2(C1)CCCCC2)c1ccccn1 ZINC000850755831 1123300452 /nfs/dbraw/zinc/30/04/52/1123300452.db2.gz JOQCGNWKDPLFAD-AWEZNQCLSA-N 0 3 268.360 3.618 20 30 CHEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000442788387 1123338882 /nfs/dbraw/zinc/33/88/82/1123338882.db2.gz FDNXSVXFGOTXPG-GDBMZVCRSA-N 0 3 286.419 3.954 20 30 CHEDHN C=C(Cl)CN[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852727982 1123413974 /nfs/dbraw/zinc/41/39/74/1123413974.db2.gz VYCFXRSYKTXVSI-KGLIPLIRSA-N 0 3 288.218 3.740 20 30 CHEDHN C[C@H](NCc1cccs1)c1ccc(C#N)c(F)c1 ZINC000346066050 1123424104 /nfs/dbraw/zinc/42/41/04/1123424104.db2.gz LCMBMXVZTPKKSE-JTQLQIEISA-N 0 3 260.337 3.610 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(OCc2ccncc2)cc1 ZINC000113499936 1123459947 /nfs/dbraw/zinc/45/99/47/1123459947.db2.gz VNZNBOXGZKABPP-UHFFFAOYSA-N 0 3 294.398 3.835 20 30 CHEDHN CCc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000389119468 1123462258 /nfs/dbraw/zinc/46/22/58/1123462258.db2.gz OIJYHXJEUWOUEF-AWEZNQCLSA-N 0 3 294.398 3.980 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000925126529 1123464505 /nfs/dbraw/zinc/46/45/05/1123464505.db2.gz BKGWBMVZHAVJAR-RDJZCZTQSA-N 0 3 296.418 3.542 20 30 CHEDHN C#CCCOc1ccc(CNCc2cccc(F)c2)cc1 ZINC000113318275 1123518696 /nfs/dbraw/zinc/51/86/96/1123518696.db2.gz NYRDIELGOLFBDC-UHFFFAOYSA-N 0 3 283.346 3.518 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccnc2)c1 ZINC000113952606 1123548795 /nfs/dbraw/zinc/54/87/95/1123548795.db2.gz VTJRPCGJRLUUIL-RHSMWYFYSA-N 0 3 295.386 3.613 20 30 CHEDHN CC(C)N(Cc1cc(Br)ccc1C#N)C(C)C ZINC001141895001 1123587834 /nfs/dbraw/zinc/58/78/34/1123587834.db2.gz XPGUMQNKDJBKFQ-UHFFFAOYSA-N 0 3 295.224 3.940 20 30 CHEDHN CCCC(=O)Nc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185781827 1123611329 /nfs/dbraw/zinc/61/13/29/1123611329.db2.gz XIAUJRUZYZTQCA-GOEBONIOSA-N 0 3 299.418 3.597 20 30 CHEDHN C#CC[C@H](CCOC)NCc1ccc(Cl)cc1Cl ZINC000858331907 1123646178 /nfs/dbraw/zinc/64/61/78/1123646178.db2.gz KLOWWNBQQUAUMS-CYBMUJFWSA-N 0 3 286.202 3.511 20 30 CHEDHN C=C(C)[C@H](NC[C@H]1CCC=CO1)c1ccc(F)c(F)c1 ZINC000194718319 1129137640 /nfs/dbraw/zinc/13/76/40/1129137640.db2.gz LYFXWFTXFPINHR-CJNGLKHVSA-N 0 3 279.330 3.864 20 30 CHEDHN C=C(C)[C@@H](NC[C@@H]1CCC=CO1)c1ccc(F)c(F)c1 ZINC000194718301 1129137752 /nfs/dbraw/zinc/13/77/52/1129137752.db2.gz LYFXWFTXFPINHR-XJKSGUPXSA-N 0 3 279.330 3.864 20 30 CHEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(F)cn1 ZINC000346267228 1123677396 /nfs/dbraw/zinc/67/73/96/1123677396.db2.gz UATHIFFCXXPDLF-UHFFFAOYSA-N 0 3 297.377 3.751 20 30 CHEDHN CC(C)c1cccc2c1OCCC[C@@H]2NCCCC#N ZINC000346821925 1123717246 /nfs/dbraw/zinc/71/72/46/1123717246.db2.gz GSYVVMRFQSBGGC-INIZCTEOSA-N 0 3 272.392 3.917 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccn1 ZINC000860467183 1123734639 /nfs/dbraw/zinc/73/46/39/1123734639.db2.gz GGDOVMQMOUCHPF-BRWVUGGUSA-N 0 3 290.366 3.842 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCC=C3)n1 ZINC000336334523 1123761982 /nfs/dbraw/zinc/76/19/82/1123761982.db2.gz NKVSYFFWNRWLHZ-OAHLLOKOSA-N 0 3 294.379 3.901 20 30 CHEDHN CCCCCCCCC(=O)N(CC)C1CCN(C)CC1 ZINC000861893160 1123787484 /nfs/dbraw/zinc/78/74/84/1123787484.db2.gz GIYXQUFAUJGVDY-UHFFFAOYSA-N 0 3 282.472 3.680 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)CCOCc1ccccc1 ZINC000186256102 1123819111 /nfs/dbraw/zinc/81/91/11/1123819111.db2.gz WIQCHBATIKHQEJ-UHFFFAOYSA-N 0 3 294.398 3.515 20 30 CHEDHN C#CCN(CCc1csc(C)n1)[C@@H]1CCc2ccccc21 ZINC000119427465 1123864455 /nfs/dbraw/zinc/86/44/55/1123864455.db2.gz VCKNYDOVNXEPFL-GOSISDBHSA-N 0 3 296.439 3.617 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2OC2CCC2)C1 ZINC000193001144 1123869708 /nfs/dbraw/zinc/86/97/08/1123869708.db2.gz XWJDHWJPZIGTGF-GOEBONIOSA-N 0 3 284.403 3.790 20 30 CHEDHN C=CCCCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116427 1129152512 /nfs/dbraw/zinc/15/25/12/1129152512.db2.gz AAWKODMKAFMBAY-INIZCTEOSA-N 0 3 269.392 3.676 20 30 CHEDHN CC(C)(C)c1csc(CNCCc2ccc(C#N)cc2)n1 ZINC000865621894 1123999887 /nfs/dbraw/zinc/99/98/87/1123999887.db2.gz FCURWWKQWBREQI-UHFFFAOYSA-N 0 3 299.443 3.645 20 30 CHEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1cscc1Cl)C2 ZINC000865847643 1124020789 /nfs/dbraw/zinc/02/07/89/1124020789.db2.gz HAHKMGKBYAJBAI-AWEZNQCLSA-N 0 3 288.803 3.530 20 30 CHEDHN C=CC[C@H](N[C@H]1CCc2cc(OC)ccc21)c1ccncc1 ZINC000866268487 1124045015 /nfs/dbraw/zinc/04/50/15/1124045015.db2.gz WTIUPERUHYTWSY-OALUTQOASA-N 0 3 294.398 3.985 20 30 CHEDHN CC(C)(C#N)CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000718004379 1129165613 /nfs/dbraw/zinc/16/56/13/1129165613.db2.gz CLDCAOHWFQHQSS-JKSUJKDBSA-N 0 3 286.419 3.510 20 30 CHEDHN COc1cc(CNC(C)(C)c2cccc(C)c2)ccc1C#N ZINC000440829423 1124096455 /nfs/dbraw/zinc/09/64/55/1124096455.db2.gz WEKMZBVGZVQAPQ-UHFFFAOYSA-N 0 3 294.398 3.900 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)NCc1cc(C#N)ccc1F ZINC000445877709 1124104886 /nfs/dbraw/zinc/10/48/86/1124104886.db2.gz DBFZZKREFYVQOB-ZDUSSCGKSA-N 0 3 288.288 3.764 20 30 CHEDHN CC(C)[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000446741503 1124121089 /nfs/dbraw/zinc/12/10/89/1124121089.db2.gz NDUVJKSSKBRXSC-ZDUSSCGKSA-N 0 3 294.345 3.638 20 30 CHEDHN C=CC[C@H](N[C@@H]1CCCc2ncccc21)c1ccncc1 ZINC001118991935 1131244490 /nfs/dbraw/zinc/24/44/90/1131244490.db2.gz TUZJURWNOHHRLU-FUHWJXTLSA-N 0 3 279.387 3.761 20 30 CHEDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC1(C#N)CCCC1 ZINC001119605806 1131259957 /nfs/dbraw/zinc/25/99/57/1131259957.db2.gz AELZQJWGSGFRKX-ZIAGYGMSSA-N 0 3 284.403 3.923 20 30 CHEDHN Cc1cc(C)cc([C@H]2CCN(Cc3cncc(C#N)c3)C2)c1 ZINC001119729844 1131262693 /nfs/dbraw/zinc/26/26/93/1131262693.db2.gz XEDYHYJHYQVBBS-SFHVURJKSA-N 0 3 291.398 3.560 20 30 CHEDHN C=CCCCN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000448020582 1124553814 /nfs/dbraw/zinc/55/38/14/1124553814.db2.gz CSUPJWFBFGXZSL-AWEZNQCLSA-N 0 3 284.407 3.501 20 30 CHEDHN C#C[C@H]1CC[C@H]([NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000872139146 1124694609 /nfs/dbraw/zinc/69/46/09/1124694609.db2.gz GVJFQLOZVCKLDF-IIAWOOMASA-N 0 3 257.377 3.625 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](OC3CCC3)CC2)s1 ZINC000872262223 1124701038 /nfs/dbraw/zinc/70/10/38/1124701038.db2.gz UNLXRUVNVXYZNU-CQSZACIVSA-N 0 3 290.432 3.543 20 30 CHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000020095604 1124805084 /nfs/dbraw/zinc/80/50/84/1124805084.db2.gz PTWQIFHNLPKGLC-LBPRGKRZSA-N 0 3 254.308 3.548 20 30 CHEDHN N#CCCN[C@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000825720134 1124825121 /nfs/dbraw/zinc/82/51/21/1124825121.db2.gz ASMGKEPNSNSIAM-HIFRSBDPSA-N 0 3 262.784 3.869 20 30 CHEDHN N#CC(C(=O)[C@H]1CCCC12CC2)c1ccc2ccccc2n1 ZINC000528915622 1124842721 /nfs/dbraw/zinc/84/27/21/1124842721.db2.gz UDMDIPPCTHQGAT-HUUCEWRRSA-N 0 3 290.366 3.991 20 30 CHEDHN CCCCCCCOC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001239312408 1131314186 /nfs/dbraw/zinc/31/41/86/1131314186.db2.gz WOMHEWHWVLYBOK-GFCCVEGCSA-N 0 3 295.383 3.618 20 30 CHEDHN C=C(CC)CNCc1c(C)nn(Cc2ccccc2)c1C ZINC000449737165 1124854779 /nfs/dbraw/zinc/85/47/79/1124854779.db2.gz YEOTUNZJRRZNLE-UHFFFAOYSA-N 0 3 283.419 3.604 20 30 CHEDHN CCCCC[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000876905956 1124990062 /nfs/dbraw/zinc/99/00/62/1124990062.db2.gz NQKLBWVYBVJPKD-LLVKDONJSA-N 0 3 265.788 3.665 20 30 CHEDHN C[C@@H](CCNCc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876997814 1124996346 /nfs/dbraw/zinc/99/63/46/1124996346.db2.gz IEDRRSLXTJZZPQ-ZDUSSCGKSA-N 0 3 299.805 3.890 20 30 CHEDHN C#CCCCCCCN[C@H](C)c1nc(C)cs1 ZINC000877002942 1124996876 /nfs/dbraw/zinc/99/68/76/1124996876.db2.gz GXRCMFOOAAQDJF-CYBMUJFWSA-N 0 3 250.411 3.686 20 30 CHEDHN C#C[C@H](NC1CC(CF)(CF)C1)c1ccc(Cl)cc1 ZINC000825949578 1125021041 /nfs/dbraw/zinc/02/10/41/1125021041.db2.gz XITRFFADIJZPHD-AWEZNQCLSA-N 0 3 283.749 3.692 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)CCc1cncc2ccccc21 ZINC000877366360 1125024493 /nfs/dbraw/zinc/02/44/93/1125024493.db2.gz WCGPWHFJTAZTNJ-PBHICJAKSA-N 0 3 281.403 3.838 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CC(c3ccccc3)C2)cc1 ZINC000877665531 1125061141 /nfs/dbraw/zinc/06/11/41/1125061141.db2.gz AOMVKXNEVBAGCG-HNNXBMFYSA-N 0 3 292.382 3.577 20 30 CHEDHN C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1[O-] ZINC000877755771 1125072834 /nfs/dbraw/zinc/07/28/34/1125072834.db2.gz MEKPMPHTAOWNFX-VEAWUBTESA-N 0 3 258.365 3.515 20 30 CHEDHN C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000877757339 1125074457 /nfs/dbraw/zinc/07/44/57/1125074457.db2.gz QXJMYXKETRJYAE-KGLIPLIRSA-N 0 3 296.370 3.534 20 30 CHEDHN Cc1cc(CN2CC[C@](C)(C(F)(F)F)C2)ccc1C#N ZINC000877811850 1125082447 /nfs/dbraw/zinc/08/24/47/1125082447.db2.gz ABFYSMWQTDMPBU-AWEZNQCLSA-N 0 3 282.309 3.641 20 30 CHEDHN Cc1cc(CN2CC[C@@](C)(C(F)(F)F)C2)ccc1C#N ZINC000877811851 1125083074 /nfs/dbraw/zinc/08/30/74/1125083074.db2.gz ABFYSMWQTDMPBU-CQSZACIVSA-N 0 3 282.309 3.641 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000878088577 1125117952 /nfs/dbraw/zinc/11/79/52/1125117952.db2.gz SNZFBPNMRUZIHF-TXPKVOOTSA-N 0 3 298.430 3.690 20 30 CHEDHN C#CC[C@@H](NCc1c(C)cc(C)nc1C)c1ccccc1 ZINC000878363175 1125145090 /nfs/dbraw/zinc/14/50/90/1125145090.db2.gz SVCBAHUYJQMGBQ-LJQANCHMSA-N 0 3 278.399 3.861 20 30 CHEDHN C[C@@H](NC[C@@H]1CCCC(C)(C)O1)c1ccc(C#N)cc1F ZINC000878406637 1125149945 /nfs/dbraw/zinc/14/99/45/1125149945.db2.gz ADJJNCSFQJUYMN-OCCSQVGLSA-N 0 3 290.382 3.696 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CCCC1 ZINC000530971297 1125189322 /nfs/dbraw/zinc/18/93/22/1125189322.db2.gz UZLUMNIBSDGTRE-ROUUACIJSA-N 0 3 268.404 3.948 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000880003526 1125244067 /nfs/dbraw/zinc/24/40/67/1125244067.db2.gz IKLXUJOCJCJHFL-SMDDNHRTSA-N 0 3 282.309 3.894 20 30 CHEDHN C#CCC1(O)CCN([C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000880479551 1125276414 /nfs/dbraw/zinc/27/64/14/1125276414.db2.gz RPZVMTDSYFWOCY-MRXNPFEDSA-N 0 3 291.822 3.641 20 30 CHEDHN CC[C@H](NCCCCC(C)(C)C#N)c1nccs1 ZINC000234041034 1125325026 /nfs/dbraw/zinc/32/50/26/1125325026.db2.gz NODHUXPHIRATEF-LBPRGKRZSA-N 0 3 265.426 3.904 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCCS2)c([O-])c1 ZINC000129342479 1125330843 /nfs/dbraw/zinc/33/08/43/1125330843.db2.gz QNVNSPAEZBXOPE-QAEAHILHSA-N 0 3 292.448 3.553 20 30 CHEDHN C[C@H]1c2ccsc2CCN1Cc1ccc(CC#N)cc1 ZINC000399134470 1125339063 /nfs/dbraw/zinc/33/90/63/1125339063.db2.gz PTOXRJIBWUQTOA-ZDUSSCGKSA-N 0 3 282.412 3.933 20 30 CHEDHN CC(C)(C#N)CNC1CC(c2cccc(Cl)c2)C1 ZINC000168942365 1125355157 /nfs/dbraw/zinc/35/51/57/1125355157.db2.gz QBTVAOXQUJWDES-UHFFFAOYSA-N 0 3 262.784 3.725 20 30 CHEDHN C=CCC[C@@H](Cc1ccccc1)NCc1cscn1 ZINC000883183031 1125374765 /nfs/dbraw/zinc/37/47/65/1125374765.db2.gz QLYHIPZRNUFRAB-HNNXBMFYSA-N 0 3 272.417 3.810 20 30 CHEDHN C=C(Br)CN[C@H]1CC[C@H](c2ccccc2)C1 ZINC000131214923 1125377403 /nfs/dbraw/zinc/37/74/03/1125377403.db2.gz CEMCVAKWPBCXGD-KBPBESRZSA-N 0 3 280.209 3.821 20 30 CHEDHN C=CCC[C@H](NCc1cc(C)cc(Cl)n1)[C@H]1CCCO1 ZINC000883221321 1125379741 /nfs/dbraw/zinc/37/97/41/1125379741.db2.gz YWKNZXYXFXFASR-LSDHHAIUSA-N 0 3 294.826 3.647 20 30 CHEDHN C=CCC[C@@H](Cc1ccccc1)NCc1coc(CC)n1 ZINC000883227177 1125380959 /nfs/dbraw/zinc/38/09/59/1125380959.db2.gz MITWMHHQRGQKFH-INIZCTEOSA-N 0 3 284.403 3.904 20 30 CHEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(CC#N)cc1 ZINC000348246574 1125429890 /nfs/dbraw/zinc/42/98/90/1125429890.db2.gz RDUPXKIOTRAHHQ-RISCZKNCSA-N 0 3 282.309 3.525 20 30 CHEDHN C#CCCCCCCN1CCc2cc(F)ccc2C1 ZINC001168252294 1125439245 /nfs/dbraw/zinc/43/92/45/1125439245.db2.gz KTIJLPGALMDWQF-UHFFFAOYSA-N 0 3 259.368 3.768 20 30 CHEDHN CC[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735309410 1129340213 /nfs/dbraw/zinc/34/02/13/1129340213.db2.gz NCPSMOIRSLPTTO-CQSZACIVSA-N 0 3 278.783 3.617 20 30 CHEDHN CCCCCCCCC/C=C/C(=O)N1CCCN(C)CC1 ZINC000737766360 1129388259 /nfs/dbraw/zinc/38/82/59/1129388259.db2.gz GKEWSAQCRBMPLV-ACCUITESSA-N 0 3 294.483 3.847 20 30 CHEDHN C=C(Br)CN1CCCC[C@H]1[C@H](C)CC ZINC000740423360 1129413291 /nfs/dbraw/zinc/41/32/91/1129413291.db2.gz HSEDCUHSVHYIRS-PWSUYJOCSA-N 0 3 260.219 3.796 20 30 CHEDHN C=CCN(CC[C@@H](O)c1ccccc1)Cc1cccs1 ZINC000795848425 1129452609 /nfs/dbraw/zinc/45/26/09/1129452609.db2.gz KUFYBPXMRLZANN-QGZVFWFLSA-N 0 3 287.428 3.860 20 30 CHEDHN COc1ccc(CN[C@H]2C[C@H](C)c3ccccc32)cc1C#N ZINC000742370317 1129474422 /nfs/dbraw/zinc/47/44/22/1129474422.db2.gz KLHYYZKQOSQCDI-UGSOOPFHSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCN(CCc1ccccc1)C[C@@H](O)c1ccccc1F ZINC000744211475 1129559933 /nfs/dbraw/zinc/55/99/33/1129559933.db2.gz RZTCVLUJRCSICP-LJQANCHMSA-N 0 3 299.389 3.590 20 30 CHEDHN C=CC[C@@H](C)NCc1ccsc1Br ZINC000388619400 1129656060 /nfs/dbraw/zinc/65/60/60/1129656060.db2.gz DYPJPVRWRVYCOA-MRVPVSSYSA-N 0 3 260.200 3.565 20 30 CHEDHN C#CCN(CC)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000746457089 1129665248 /nfs/dbraw/zinc/66/52/48/1129665248.db2.gz WWVZMHJXHUUWJV-NSHDSACASA-N 0 3 271.282 3.601 20 30 CHEDHN C=C(C)[C@H](NCCc1ccccn1)c1ccc(F)c(F)c1 ZINC001169474648 1129729332 /nfs/dbraw/zinc/72/93/32/1129729332.db2.gz UOHIUPUXYGGPRW-KRWDZBQOSA-N 0 3 288.341 3.809 20 30 CHEDHN CCCCCCCN1CCOc2cc(O)ccc2C1 ZINC000796465161 1129735482 /nfs/dbraw/zinc/73/54/82/1129735482.db2.gz GQUHQOCVHHNMID-UHFFFAOYSA-N 0 3 263.381 3.557 20 30 CHEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2ncc(C)s2)C1 ZINC000651729599 1129745613 /nfs/dbraw/zinc/74/56/13/1129745613.db2.gz LJPUUOVQWLTAAW-UPJWGTAASA-N 0 3 250.411 3.847 20 30 CHEDHN Cc1nc2ccc(NC34CCC(C#N)(CC3)CC4)cc2[nH]1 ZINC001169751075 1129752595 /nfs/dbraw/zinc/75/25/95/1129752595.db2.gz WBARGWSMAXVGCZ-UHFFFAOYSA-N 0 3 280.375 3.900 20 30 CHEDHN C#CCCCN1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000766916085 1129769612 /nfs/dbraw/zinc/76/96/12/1129769612.db2.gz BHNRPCMERLEANE-QGZVFWFLSA-N 0 3 281.403 3.514 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2cccs2)cc1 ZINC000768161288 1129837894 /nfs/dbraw/zinc/83/78/94/1129837894.db2.gz VQNXAFNDHDDHGA-ZDUSSCGKSA-N 0 3 286.400 3.671 20 30 CHEDHN C[C@@H]1CCC[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000768354308 1129853499 /nfs/dbraw/zinc/85/34/99/1129853499.db2.gz HKDHACNGVAJDSD-KGLIPLIRSA-N 0 3 268.364 3.605 20 30 CHEDHN COc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)c(C#N)c1 ZINC001137704478 1131404569 /nfs/dbraw/zinc/40/45/69/1131404569.db2.gz HOJVVZOZTPQWGQ-KSSFIOAISA-N 0 3 284.403 3.721 20 30 CHEDHN C=C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769336959 1129902847 /nfs/dbraw/zinc/90/28/47/1129902847.db2.gz AIQWRXJABNTHMV-UHFFFAOYSA-N 0 3 270.420 3.829 20 30 CHEDHN CC(C)[C@@H](NCCO[C@H](C)C#N)c1ccccc1Cl ZINC000801940065 1129962015 /nfs/dbraw/zinc/96/20/15/1129962015.db2.gz UZIUSMXCMSLGKF-IUODEOHRSA-N 0 3 280.799 3.555 20 30 CHEDHN CC(C)[C@H](NCCO[C@@H](C)C#N)c1ccc(Cl)cc1F ZINC000801939016 1129962333 /nfs/dbraw/zinc/96/23/33/1129962333.db2.gz OPICSSRNPYWILW-NHYWBVRUSA-N 0 3 298.789 3.694 20 30 CHEDHN C=CCN(Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1 ZINC000771640563 1129987162 /nfs/dbraw/zinc/98/71/62/1129987162.db2.gz HUPQTFRSBYIUKJ-UHFFFAOYSA-N 0 3 275.392 3.546 20 30 CHEDHN C[C@@H]1CC(=O)C=C(c2cccc(C3=NCCC3)c2)C1 ZINC001242742365 1129994558 /nfs/dbraw/zinc/99/45/58/1129994558.db2.gz OPXXBJJUABTORG-LBPRGKRZSA-N 0 3 253.345 3.652 20 30 CHEDHN C=CCC[C@@H](NCc1csc(C)n1)[C@@]1(C)CCCCO1 ZINC000902756846 1130053295 /nfs/dbraw/zinc/05/32/95/1130053295.db2.gz MTQRFRAPTRMSFR-HZPDHXFCSA-N 0 3 294.464 3.835 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000772600779 1130033394 /nfs/dbraw/zinc/03/33/94/1130033394.db2.gz ZDJOZFDCSPNHRK-KSSFIOAISA-N 0 3 295.386 3.643 20 30 CHEDHN CNc1ccc(C)cc1CNCc1ccc(C)c(C#N)c1 ZINC000902658140 1130035093 /nfs/dbraw/zinc/03/50/93/1130035093.db2.gz OAJXXGILKVGGQG-UHFFFAOYSA-N 0 3 279.387 3.507 20 30 CHEDHN C=CCC[C@H](NCc1nc(C)cs1)[C@]1(C)CCCCO1 ZINC000902735483 1130047692 /nfs/dbraw/zinc/04/76/92/1130047692.db2.gz DOZAGRBJPYCDRN-HOCLYGCPSA-N 0 3 294.464 3.835 20 30 CHEDHN CC[C@@H](NCc1ccsc1)c1cccc(C#N)c1 ZINC000902747871 1130049307 /nfs/dbraw/zinc/04/93/07/1130049307.db2.gz YDHOQEQOWRAYBQ-OAHLLOKOSA-N 0 3 256.374 3.861 20 30 CHEDHN CC[C@H](NCc1sc(C)nc1C)c1cccc(C#N)c1 ZINC000902820575 1130062785 /nfs/dbraw/zinc/06/27/85/1130062785.db2.gz SGPLGQBXQGBXBP-HNNXBMFYSA-N 0 3 285.416 3.873 20 30 CHEDHN C=CCC[C@H](NCc1ncc(C)s1)[C@@]1(C)CCCCO1 ZINC000902821807 1130063657 /nfs/dbraw/zinc/06/36/57/1130063657.db2.gz LHGHBKJECWCUIA-GOEBONIOSA-N 0 3 294.464 3.835 20 30 CHEDHN CC[C@@H](N[C@H](COC)c1ccccc1)c1cccc(C#N)c1 ZINC000902867298 1130074387 /nfs/dbraw/zinc/07/43/87/1130074387.db2.gz ZHKQPZPWPLBDMO-RTBURBONSA-N 0 3 294.398 3.987 20 30 CHEDHN C=C(Br)CN(C(C)C)C1CCCCC1 ZINC000749070661 1130087746 /nfs/dbraw/zinc/08/77/46/1130087746.db2.gz WPAJQHGVMCCDBK-UHFFFAOYSA-N 0 3 260.219 3.938 20 30 CHEDHN C[C@H]1C[C@H](NCC2(C#N)CCCC2)c2c1c(F)ccc2O ZINC000903108828 1130114382 /nfs/dbraw/zinc/11/43/82/1130114382.db2.gz HPBWSCARJNHVLF-AAEUAGOBSA-N 0 3 288.366 3.753 20 30 CHEDHN C=CCC[C@H](NCc1cncn1C)c1cccc(Cl)c1 ZINC000903173105 1130123953 /nfs/dbraw/zinc/12/39/53/1130123953.db2.gz WVUHDMOQJZMKMB-INIZCTEOSA-N 0 3 289.810 3.871 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000787025372 1130125475 /nfs/dbraw/zinc/12/54/75/1130125475.db2.gz GGRPXYJDUAXLHN-BDJLRTHQSA-N 0 3 297.789 3.945 20 30 CHEDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c([O-])c1 ZINC000787024607 1130126105 /nfs/dbraw/zinc/12/61/05/1130126105.db2.gz BZESUEQTWSDESL-ACJLOTCBSA-N 0 3 292.382 3.910 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cncc2ccccc21 ZINC000787330588 1130144821 /nfs/dbraw/zinc/14/48/21/1130144821.db2.gz DJGNMUYVLDLJDP-HXUWFJFHSA-N 0 3 299.377 3.884 20 30 CHEDHN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000903427145 1130175189 /nfs/dbraw/zinc/17/51/89/1130175189.db2.gz FEIJTPKLKOHNLQ-KZULUSFZSA-N 0 3 295.361 3.894 20 30 CHEDHN N#Cc1ccc(C2=CCCN(Cc3ccccc3)C2)c(C#N)c1 ZINC001240387492 1130286447 /nfs/dbraw/zinc/28/64/47/1130286447.db2.gz SLJBKYCYSSRKTN-UHFFFAOYSA-N 0 3 299.377 3.719 20 30 CHEDHN Cc1nccc(C2=CCCN(Cc3ccccc3)C2)c1C#N ZINC001240390198 1130288169 /nfs/dbraw/zinc/28/81/69/1130288169.db2.gz GDJPTZQNCFBDHQ-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN CCCCCCCCCN1CCC[C@]12CCOC2=O ZINC000792294196 1130443580 /nfs/dbraw/zinc/44/35/80/1130443580.db2.gz GYPQUFYSBQCXGQ-MRXNPFEDSA-N 0 3 267.413 3.519 20 30 CHEDHN CCOc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000678732898 1130447732 /nfs/dbraw/zinc/44/77/32/1130447732.db2.gz GLGVFNAPAKMHJH-OAHLLOKOSA-N 0 3 297.373 3.927 20 30 CHEDHN SC1CCN(Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139519181 1130455529 /nfs/dbraw/zinc/45/55/29/1130455529.db2.gz NTOVPJSKFIPVOQ-UHFFFAOYSA-N 0 3 284.428 3.643 20 30 CHEDHN CCCC[C@H](CC)COCCCN[C@H](CC)CC#N ZINC001255155091 1130493274 /nfs/dbraw/zinc/49/32/74/1130493274.db2.gz LGTIXBQDJIAAQB-JKSUJKDBSA-N 0 3 268.445 3.891 20 30 CHEDHN N#Cc1ccc(-c2cccc(CNCC3(F)CC3)c2)s1 ZINC000792988546 1130511213 /nfs/dbraw/zinc/51/12/13/1130511213.db2.gz FACKHONUQVBSHN-UHFFFAOYSA-N 0 3 286.375 3.878 20 30 CHEDHN C=CCOCCN[C@@H](CC)c1cc(Cl)ccc1OC ZINC000679576756 1130542096 /nfs/dbraw/zinc/54/20/96/1130542096.db2.gz SOIKGZBDLCNEOO-AWEZNQCLSA-N 0 3 283.799 3.592 20 30 CHEDHN C#C[C@H](NCCCc1cnccc1C)c1ccc(Cl)cc1 ZINC000811516587 1130615763 /nfs/dbraw/zinc/61/57/63/1130615763.db2.gz QFWXCUISLGDUBU-SFHVURJKSA-N 0 3 298.817 3.940 20 30 CHEDHN C=C[C@@H](CCC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234245116 1130622966 /nfs/dbraw/zinc/62/29/66/1130622966.db2.gz UHSSDCGPOMLEBK-ZDUSSCGKSA-N 0 3 281.371 3.629 20 30 CHEDHN N#CC(C(=O)C=C1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813218475 1130747983 /nfs/dbraw/zinc/74/79/83/1130747983.db2.gz PMIBPJYUCDCDJB-GFCCVEGCSA-N 0 3 294.276 3.777 20 30 CHEDHN C[C@@H]1CN(Cc2ccccc2CC#N)Cc2ccccc21 ZINC001235512076 1130750566 /nfs/dbraw/zinc/75/05/66/1130750566.db2.gz PAHRCUWGWIYFAH-OAHLLOKOSA-N 0 3 276.383 3.872 20 30 CHEDHN CC(C)CN(CCC#N)C[C@H]1CCc2ccccc2C1 ZINC000782042867 1130753494 /nfs/dbraw/zinc/75/34/94/1130753494.db2.gz SVQYJASDXIZHMJ-INIZCTEOSA-N 0 3 270.420 3.663 20 30 CHEDHN Cc1cccc2c1CCN([C@@H](C)c1cccc(C#N)c1)C2 ZINC000782183210 1130758538 /nfs/dbraw/zinc/75/85/38/1130758538.db2.gz IVOBDWXJBHADRR-HNNXBMFYSA-N 0 3 276.383 3.986 20 30 CHEDHN C=CCN(Cc1cnc(Br)c(C)c1)C(C)(C)C ZINC001235831735 1130784511 /nfs/dbraw/zinc/78/45/11/1130784511.db2.gz XRROEHCGWHTKOF-UHFFFAOYSA-N 0 3 297.240 3.939 20 30 CHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1cccc(F)c1 ZINC000783262893 1130808286 /nfs/dbraw/zinc/80/82/86/1130808286.db2.gz SCFDRNAVYUBCCW-KRWDZBQOSA-N 0 3 298.361 3.947 20 30 CHEDHN N#Cc1cccnc1-c1cccc(CN2CCCCC2)c1F ZINC001236001754 1130828290 /nfs/dbraw/zinc/82/82/90/1130828290.db2.gz AYTMXQODBZFEQX-UHFFFAOYSA-N 0 3 295.361 3.745 20 30 CHEDHN N#Cc1ccc(-c2cccc(CN3CCCCC3)c2F)cn1 ZINC001236012688 1130832486 /nfs/dbraw/zinc/83/24/86/1130832486.db2.gz RZGQVWOQSGOKTF-UHFFFAOYSA-N 0 3 295.361 3.745 20 30 CHEDHN CC[C@H]1CCC[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000783821348 1130856650 /nfs/dbraw/zinc/85/66/50/1130856650.db2.gz MLJZEDVLSDBSDI-GJZGRUSLSA-N 0 3 282.391 3.995 20 30 CHEDHN C=C[C@@H]1CCCCN1c1ccnc2cc(OC)ccc21 ZINC000784676806 1130916036 /nfs/dbraw/zinc/91/60/36/1130916036.db2.gz POPSXWLKJMPDEL-CYBMUJFWSA-N 0 3 268.360 3.788 20 30 CHEDHN Cc1cccc(CNN=C2CC[C@@H]3CNc4cccc2c43)c1 ZINC000814873049 1130927916 /nfs/dbraw/zinc/92/79/16/1130927916.db2.gz KGBPRANPNNWQRO-OAHLLOKOSA-N 0 3 291.398 3.792 20 30 CHEDHN C#CC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 ZINC000815083540 1130957672 /nfs/dbraw/zinc/95/76/72/1130957672.db2.gz QTHKFTABRYGPEQ-LJQANCHMSA-N 0 3 292.426 3.915 20 30 CHEDHN C=C(CNCc1cc(C)nc(Cl)c1)c1ccccc1 ZINC000797598555 1130996739 /nfs/dbraw/zinc/99/67/39/1130996739.db2.gz SGHNKOSHEMYHKI-UHFFFAOYSA-N 0 3 272.779 3.846 20 30 CHEDHN N#Cc1ccc2c(c1)CN(Cc1cccc3ccoc31)CC2 ZINC001236730593 1131000350 /nfs/dbraw/zinc/00/03/50/1131000350.db2.gz RIWUAEBJXMKEBK-UHFFFAOYSA-N 0 3 288.350 3.863 20 30 CHEDHN CCCCCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815600931 1131007083 /nfs/dbraw/zinc/00/70/83/1131007083.db2.gz JBYSULXBEOCQCP-HNNXBMFYSA-N 0 3 290.386 3.593 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC2CCC1CC2)c1nc2ccccc2[nH]1 ZINC000815897763 1131030724 /nfs/dbraw/zinc/03/07/24/1131030724.db2.gz GQKIZBOIIBZQGT-PQAZSJQKSA-N 0 3 293.370 3.565 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236915028 1131031897 /nfs/dbraw/zinc/03/18/97/1131031897.db2.gz YIZRLMQQPWTDAO-UHFFFAOYSA-N 0 3 287.794 3.700 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccnc3c(Cl)cccc23)C1 ZINC001237152625 1131059828 /nfs/dbraw/zinc/05/98/28/1131059828.db2.gz SKXLZGZUHHSION-ZDUSSCGKSA-N 0 3 284.790 3.733 20 30 CHEDHN C=CC[C@H](CC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000798958945 1131061294 /nfs/dbraw/zinc/06/12/94/1131061294.db2.gz PURZSQLUQISUNN-ZDUSSCGKSA-N 0 3 253.773 3.798 20 30 CHEDHN Cn1cc(CN2CCC3(CCC3)CC2)c2cc(C#N)ccc21 ZINC001237465262 1131102735 /nfs/dbraw/zinc/10/27/35/1131102735.db2.gz HWTRHQQZVXBHJO-UHFFFAOYSA-N 0 3 293.414 3.816 20 30 CHEDHN C#C[C@@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000816615769 1131115450 /nfs/dbraw/zinc/11/54/50/1131115450.db2.gz FPQWLOAIIDIGPV-SCLBCKFNSA-N 0 3 299.801 3.941 20 30 CHEDHN C=CC[N@@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237646452 1131124141 /nfs/dbraw/zinc/12/41/41/1131124141.db2.gz PINQYSYRGNCAAA-UHFFFAOYSA-N 0 3 271.335 3.816 20 30 CHEDHN C=CC[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237646452 1131124144 /nfs/dbraw/zinc/12/41/44/1131124144.db2.gz PINQYSYRGNCAAA-UHFFFAOYSA-N 0 3 271.335 3.816 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001237749203 1131137862 /nfs/dbraw/zinc/13/78/62/1131137862.db2.gz QOMITUPHWBXXPF-LSDHHAIUSA-N 0 3 274.795 3.834 20 30 CHEDHN C=CCN(C)Cc1ccc(Br)cc1CC ZINC001237748179 1131138053 /nfs/dbraw/zinc/13/80/53/1131138053.db2.gz BZFNBCBZZBYQEI-UHFFFAOYSA-N 0 3 268.198 3.629 20 30 CHEDHN C=CC[C@H](N[C@@H]1CCc2c1cccc2OC)c1ccncc1 ZINC001116296643 1131139639 /nfs/dbraw/zinc/13/96/39/1131139639.db2.gz UHALEUHOBSYRQM-ZWKOTPCHSA-N 0 3 294.398 3.985 20 30 CHEDHN CC(C)[C@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237753000 1131139920 /nfs/dbraw/zinc/13/99/20/1131139920.db2.gz HMHJSAYRMRBKTN-OAHLLOKOSA-N 0 3 262.784 3.832 20 30 CHEDHN C#CCN(Cc1c[nH]nc1-c1cccc(Cl)c1)CC1CC1 ZINC001116449432 1131146972 /nfs/dbraw/zinc/14/69/72/1131146972.db2.gz JBPACOGVABSWAB-UHFFFAOYSA-N 0 3 299.805 3.575 20 30 CHEDHN C[C@H]1CCCCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238188390 1131177969 /nfs/dbraw/zinc/17/79/69/1131177969.db2.gz CESPJASFBUQEPR-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN CC(C)[C@H]1CCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238199262 1131180828 /nfs/dbraw/zinc/18/08/28/1131180828.db2.gz RDQCNGLVNRMSSN-OAHLLOKOSA-N 0 3 262.784 3.832 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cccc(-c3cccs3)n2)C1 ZINC001238214059 1131182078 /nfs/dbraw/zinc/18/20/78/1131182078.db2.gz SHCAVSWLAYNJEF-CQSZACIVSA-N 0 3 282.412 3.655 20 30 CHEDHN Cc1ccc(OC(C)C)cc1CN1CCC[C@@H](CC#N)C1 ZINC001238485108 1131207087 /nfs/dbraw/zinc/20/70/87/1131207087.db2.gz IUBYOGCXTXZQJJ-INIZCTEOSA-N 0 3 286.419 3.908 20 30 CHEDHN Cc1ccc(OC(C)C)cc1CN1CCC[C@H](CC#N)C1 ZINC001238485109 1131208115 /nfs/dbraw/zinc/20/81/15/1131208115.db2.gz IUBYOGCXTXZQJJ-MRXNPFEDSA-N 0 3 286.419 3.908 20 30 CHEDHN Fc1ccc(CN2CCC(S)CC2)cc1C1CC1 ZINC001238511423 1131210303 /nfs/dbraw/zinc/21/03/03/1131210303.db2.gz MDZPLUAFKODMRW-UHFFFAOYSA-N 0 3 265.397 3.597 20 30 CHEDHN N#CC1(CN[C@@H]2CCc3c(Cl)cccc3C2)CCCC1 ZINC001171013403 1131421571 /nfs/dbraw/zinc/42/15/71/1131421571.db2.gz OBUCLXBBERWPRN-CQSZACIVSA-N 0 3 288.822 3.871 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2sccc2Cl)C1 ZINC000829811085 1131434223 /nfs/dbraw/zinc/43/42/23/1131434223.db2.gz XWFIJPJNPSQXOI-NSHDSACASA-N 0 3 253.798 3.637 20 30 CHEDHN CCCCCCCCCCN(C)Cc1cnc(N)nc1 ZINC001138169468 1131473464 /nfs/dbraw/zinc/47/34/64/1131473464.db2.gz IGSFCKIATDSADR-UHFFFAOYSA-N 0 3 278.444 3.631 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2cccc(F)c12 ZINC001136985836 1131498030 /nfs/dbraw/zinc/49/80/30/1131498030.db2.gz XLGGDIUOFDTHMC-DEZZGGKRSA-N 0 3 283.350 3.574 20 30 CHEDHN C=C(CC)CNCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000825220966 1131502165 /nfs/dbraw/zinc/50/21/65/1131502165.db2.gz ANFLUDAMCOHXOU-UHFFFAOYSA-N 0 3 289.810 3.796 20 30 CHEDHN C=CCN(C)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001138516153 1131515377 /nfs/dbraw/zinc/51/53/77/1131515377.db2.gz ISVASLXXQNKCIM-UHFFFAOYSA-N 0 3 267.372 3.980 20 30 CHEDHN C=CCN(C)Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001143357950 1131515413 /nfs/dbraw/zinc/51/54/13/1131515413.db2.gz PVLHPNHOBYWEET-UHFFFAOYSA-N 0 3 279.689 3.856 20 30 CHEDHN C=CCc1cccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC001138625839 1131527509 /nfs/dbraw/zinc/52/75/09/1131527509.db2.gz URHFCQPWGXXOGN-HOTGVXAUSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCc3c(C)cccc3C2)c1[O-] ZINC001138625429 1131528090 /nfs/dbraw/zinc/52/80/90/1131528090.db2.gz KSGYILIJRZTOPN-UHFFFAOYSA-N 0 3 293.410 3.987 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCc3c(C)cccc3C2)c1[O-] ZINC001138625429 1131528093 /nfs/dbraw/zinc/52/80/93/1131528093.db2.gz KSGYILIJRZTOPN-UHFFFAOYSA-N 0 3 293.410 3.987 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1[O-] ZINC001138625859 1131528135 /nfs/dbraw/zinc/52/81/35/1131528135.db2.gz VEPZTFJVRXBVSV-SFHVURJKSA-N 0 3 294.398 3.853 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1[O-] ZINC001138625859 1131528137 /nfs/dbraw/zinc/52/81/37/1131528137.db2.gz VEPZTFJVRXBVSV-SFHVURJKSA-N 0 3 294.398 3.853 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC[C@@H](CF)C1 ZINC001138665889 1131535063 /nfs/dbraw/zinc/53/50/63/1131535063.db2.gz ZQAFNVDTSZEAQG-HNNXBMFYSA-N 0 3 277.383 3.823 20 30 CHEDHN C=CCN(Cc1cnc(N(CC)CC)s1)C(C)(C)C ZINC001138803585 1131551644 /nfs/dbraw/zinc/55/16/44/1131551644.db2.gz URFAJKCCCMTSHR-UHFFFAOYSA-N 0 3 281.469 3.776 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2occc2c1 ZINC001138824186 1131552421 /nfs/dbraw/zinc/55/24/21/1131552421.db2.gz CORZKDZZTGZQIY-MKZZRHPPSA-N 0 3 266.344 3.699 20 30 CHEDHN C=CCOc1ccccc1CN1CC[C@@H]2CCC[C@@H]2C1 ZINC001139029164 1131574983 /nfs/dbraw/zinc/57/49/83/1131574983.db2.gz QBLZGPSGZIFIOM-JKSUJKDBSA-N 0 3 271.404 3.873 20 30 CHEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2cccnc2c1 ZINC001139171520 1131591338 /nfs/dbraw/zinc/59/13/38/1131591338.db2.gz XGRUNQUTEYBYKX-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN C[C@H]1CCCN1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423739 1131607893 /nfs/dbraw/zinc/60/78/93/1131607893.db2.gz HXISCFIROAVACO-AWEZNQCLSA-N 0 3 293.370 3.730 20 30 CHEDHN Cc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1C#N ZINC001139724626 1131632398 /nfs/dbraw/zinc/63/23/98/1131632398.db2.gz XWIGLLDAURFHBU-LJQANCHMSA-N 0 3 292.382 3.520 20 30 CHEDHN Cc1ccc(CN2CCC(F)(F)C(C)(C)C2)cc1C#N ZINC001139723286 1131632712 /nfs/dbraw/zinc/63/27/12/1131632712.db2.gz YUQPQJGTHLGUHM-UHFFFAOYSA-N 0 3 278.346 3.734 20 30 CHEDHN N#CC(C(=O)CC1C2CC3CC(C2)CC1C3)c1ccccn1 ZINC000845441841 1131635164 /nfs/dbraw/zinc/63/51/64/1131635164.db2.gz VHEGAFPAQXFZLG-GPHONZHMSA-N 0 3 294.398 3.720 20 30 CHEDHN C=CCn1cc(CN2CCC[C@@H]2c2ccccc2C)cn1 ZINC001139768265 1131635557 /nfs/dbraw/zinc/63/55/57/1131635557.db2.gz LUTZAMZCUNSOQT-GOSISDBHSA-N 0 3 281.403 3.715 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001171183017 1131636109 /nfs/dbraw/zinc/63/61/09/1131636109.db2.gz AJCTWEXZUOSXTI-KGLIPLIRSA-N 0 3 280.371 3.546 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001171183015 1131636289 /nfs/dbraw/zinc/63/62/89/1131636289.db2.gz AJCTWEXZUOSXTI-KBPBESRZSA-N 0 3 280.371 3.546 20 30 CHEDHN FC(F)c1ccccc1CN1CCC(S)CC1 ZINC001139799395 1131637358 /nfs/dbraw/zinc/63/73/58/1131637358.db2.gz OUFWOSOHNDUQGA-UHFFFAOYSA-N 0 3 257.349 3.518 20 30 CHEDHN C#Cc1ccc(CN(C)[C@H](C)c2ccccc2OC)cc1 ZINC001144576593 1131662103 /nfs/dbraw/zinc/66/21/03/1131662103.db2.gz OEGMSVNWFNERFV-OAHLLOKOSA-N 0 3 279.383 3.870 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H]4CCC[C@@H]4C3)c2c1 ZINC001140110943 1131665626 /nfs/dbraw/zinc/66/56/26/1131665626.db2.gz VJYOHXFYRZJZBC-HUUCEWRRSA-N 0 3 279.387 3.662 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N1Cc2ccccc2C1 ZINC001171204516 1131677834 /nfs/dbraw/zinc/67/78/34/1131677834.db2.gz YNDOUJVKXGFIRI-CQSZACIVSA-N 0 3 262.356 3.505 20 30 CHEDHN CC[C@@H](NCC1(C#N)CCCC1)c1ccccc1O ZINC000846011699 1131678219 /nfs/dbraw/zinc/67/82/19/1131678219.db2.gz XSYSKIKZUZNIBE-CQSZACIVSA-N 0 3 258.365 3.517 20 30 CHEDHN CC[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccccc1[O-] ZINC000846011699 1131678223 /nfs/dbraw/zinc/67/82/23/1131678223.db2.gz XSYSKIKZUZNIBE-CQSZACIVSA-N 0 3 258.365 3.517 20 30 CHEDHN C=CC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccncc1 ZINC000834590349 1131685964 /nfs/dbraw/zinc/68/59/64/1131685964.db2.gz UHMITFREVVNWNS-CVEARBPZSA-N 0 3 280.371 3.682 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1nc(Br)cs1 ZINC000834654611 1131690841 /nfs/dbraw/zinc/69/08/41/1131690841.db2.gz PZKXPKZEEFLJKO-YUMQZZPRSA-N 0 3 275.215 3.521 20 30 CHEDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230999 1131713543 /nfs/dbraw/zinc/71/35/43/1131713543.db2.gz ZPJIPBHFIXRGOT-HNNXBMFYSA-N 0 3 294.398 3.717 20 30 CHEDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230999 1131713547 /nfs/dbraw/zinc/71/35/47/1131713547.db2.gz ZPJIPBHFIXRGOT-HNNXBMFYSA-N 0 3 294.398 3.717 20 30 CHEDHN Cc1cc(C#N)ccc1NC[C@@H](c1cccs1)N(C)C ZINC000846745629 1131726575 /nfs/dbraw/zinc/72/65/75/1131726575.db2.gz LFMWZZNDHUKIIX-HNNXBMFYSA-N 0 3 285.416 3.643 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCCc3sccc32)c1 ZINC000834902113 1131727159 /nfs/dbraw/zinc/72/71/59/1131727159.db2.gz DXIZZHIFIRJAOA-MRXNPFEDSA-N 0 3 267.397 3.897 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2cccc(OCC)c2)c1 ZINC000834903807 1131727371 /nfs/dbraw/zinc/72/73/71/1131727371.db2.gz SJQUHOWLZQFCLS-OAHLLOKOSA-N 0 3 279.383 3.917 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2sc(C)nc2C)c1 ZINC000834903029 1131727633 /nfs/dbraw/zinc/72/76/33/1131727633.db2.gz NWFRGXPRPGZDBK-NSHDSACASA-N 0 3 270.401 3.592 20 30 CHEDHN C#C[C@H]1CCCN(Cc2c(Cl)ccc3cccnc32)C1 ZINC000847024647 1131772546 /nfs/dbraw/zinc/77/25/46/1131772546.db2.gz REMDYWLLOXRKTO-ZDUSSCGKSA-N 0 3 284.790 3.733 20 30 CHEDHN Cc1cc([C@H](C)NCc2ccc(OCC#N)cc2)ccc1F ZINC000772958833 1131778017 /nfs/dbraw/zinc/77/80/17/1131778017.db2.gz LTKGSQKJAKCTPC-AWEZNQCLSA-N 0 3 298.361 3.887 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(C(=O)OC)s1 ZINC001140523320 1131778558 /nfs/dbraw/zinc/77/85/58/1131778558.db2.gz MBTNZZUQSMGXKS-UHFFFAOYSA-N 0 3 283.437 3.937 20 30 CHEDHN Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(C#N)nc2)c1 ZINC001140546519 1131788752 /nfs/dbraw/zinc/78/87/52/1131788752.db2.gz MHXYLTBGPFNUDG-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CC[C@H]3CCC[C@H]3C2)c1 ZINC001140600314 1131821531 /nfs/dbraw/zinc/82/15/31/1131821531.db2.gz HENOWFUYHQJMEY-KGLIPLIRSA-N 0 3 274.795 3.834 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CCCCCCC2)c1 ZINC001140601648 1131823262 /nfs/dbraw/zinc/82/32/62/1131823262.db2.gz WYHZDBCHJKSORV-UHFFFAOYSA-N 0 3 262.784 3.978 20 30 CHEDHN C#CCOc1ccccc1CN[C@H](C)c1sccc1C ZINC000772986287 1131844661 /nfs/dbraw/zinc/84/46/61/1131844661.db2.gz CHMVXDWSHNLTAO-CQSZACIVSA-N 0 3 285.412 3.919 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H]3CCC[C@H]32)c1Cl ZINC001140809792 1131931997 /nfs/dbraw/zinc/93/19/97/1131931997.db2.gz HXOGDRFQVIBMIL-SWLSCSKDSA-N 0 3 274.795 3.976 20 30 CHEDHN N#Cc1cccc(CN2CCc3ccccc3CC2)c1Cl ZINC001140811393 1131932920 /nfs/dbraw/zinc/93/29/20/1131932920.db2.gz RPGUUKIVNCTLBW-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN CC[C@@H]1CCCCN1Cc1cccc(C#N)c1Cl ZINC001140810191 1131933072 /nfs/dbraw/zinc/93/30/72/1131933072.db2.gz XPMXNRBHYSNJMP-CQSZACIVSA-N 0 3 262.784 3.976 20 30 CHEDHN N#Cc1cccc(CN2CC[C@@H]3CCC[C@H]3C2)c1Cl ZINC001140810682 1131933308 /nfs/dbraw/zinc/93/33/08/1131933308.db2.gz CEABWWXMAQJCRP-JSGCOSHPSA-N 0 3 274.795 3.834 20 30 CHEDHN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC001171381784 1131942726 /nfs/dbraw/zinc/94/27/26/1131942726.db2.gz PONJZNHNIBAKBJ-ZIAGYGMSSA-N 0 3 261.796 3.812 20 30 CHEDHN C=CCN(Cc1c(N)cccc1F)C1CCCCC1 ZINC001140876882 1131954673 /nfs/dbraw/zinc/95/46/73/1131954673.db2.gz PLAKABSNBJULDJ-UHFFFAOYSA-N 0 3 262.372 3.729 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000036991895 1131986197 /nfs/dbraw/zinc/98/61/97/1131986197.db2.gz CAJSHMBAJINFLV-OKILXGFUSA-N 0 3 275.355 3.842 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)cc1)c1ccccc1OC ZINC000036995057 1131988186 /nfs/dbraw/zinc/98/81/86/1131988186.db2.gz VIQRXALIJAGLIF-KRWDZBQOSA-N 0 3 280.371 3.808 20 30 CHEDHN CN(Cc1sc(N)c(C#N)c1Cl)C1CCCCC1 ZINC001141108746 1132020654 /nfs/dbraw/zinc/02/06/54/1132020654.db2.gz FYBPCCOBKNSBOC-UHFFFAOYSA-N 0 3 283.828 3.620 20 30 CHEDHN N#Cc1c(N)sc(CN2CCC[C@H]3CCC[C@@H]32)c1Cl ZINC001141114052 1132021211 /nfs/dbraw/zinc/02/12/11/1132021211.db2.gz BYICMCJOYXSFGA-KOLCDFICSA-N 0 3 295.839 3.620 20 30 CHEDHN C[C@H]1CCCCCN1Cc1sc(N)c(C#N)c1Cl ZINC001141112222 1132022113 /nfs/dbraw/zinc/02/21/13/1132022113.db2.gz UJQLQCOKIMICJH-VIFPVBQESA-N 0 3 283.828 3.620 20 30 CHEDHN C=C[C@H](CCCC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303537 1132050115 /nfs/dbraw/zinc/05/01/15/1132050115.db2.gz ULOBFTGLSOJVHA-MRXNPFEDSA-N 0 3 289.419 3.945 20 30 CHEDHN CCCCN(CCC#N)[C@@H]1CCc2c(C)cccc2C1 ZINC001171571325 1132059891 /nfs/dbraw/zinc/05/98/91/1132059891.db2.gz VOAZOYRKTYLZIG-QGZVFWFLSA-N 0 3 270.420 3.868 20 30 CHEDHN N#Cc1ccc(Oc2ccc(CN3CC=CC3)cc2)cc1 ZINC001141289794 1132072289 /nfs/dbraw/zinc/07/22/89/1132072289.db2.gz OQYXAIBKPSVSFJ-UHFFFAOYSA-N 0 3 276.339 3.722 20 30 CHEDHN Cc1csc([C@H](C)N[C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172294805 1132165477 /nfs/dbraw/zinc/16/54/77/1132165477.db2.gz NAIUXZQCLTVGDD-AAEUAGOBSA-N 0 3 285.416 3.605 20 30 CHEDHN COc1cccc(F)c1[C@H](C)N[C@H](C)CCCC#N ZINC001172484368 1132231396 /nfs/dbraw/zinc/23/13/96/1132231396.db2.gz DKUDVVFFLCLBBU-NEPJUHHUSA-N 0 3 264.344 3.567 20 30 CHEDHN CCCCCCCC[C@@H](CC)N1CCC12COC2 ZINC001172503785 1132252644 /nfs/dbraw/zinc/25/26/44/1132252644.db2.gz AXJNDVJUVVCDPH-OAHLLOKOSA-N 0 3 253.430 3.990 20 30 CHEDHN CCCN(CCC)Cc1cc(Br)ccc1C#N ZINC001141894638 1132264514 /nfs/dbraw/zinc/26/45/14/1132264514.db2.gz PFYFTRLCYZULQF-UHFFFAOYSA-N 0 3 295.224 3.943 20 30 CHEDHN CCCN(CCC#N)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565268 1132270610 /nfs/dbraw/zinc/27/06/10/1132270610.db2.gz UXFIPZSMSPBEIS-SJORKVTESA-N 0 3 256.393 3.948 20 30 CHEDHN C(#Cc1ccccc1)c1ccc(CN2C[C@@H]3C[C@@H]3C2)s1 ZINC001141972377 1132279559 /nfs/dbraw/zinc/27/95/59/1132279559.db2.gz IYFYRLDMRXNTLT-IYBDPMFKSA-N 0 3 279.408 3.600 20 30 CHEDHN C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)c2c1c(F)ccc2[O-] ZINC000840787120 1132287538 /nfs/dbraw/zinc/28/75/38/1132287538.db2.gz IFRRZLOGVFRCRB-JQWIXIFHSA-N 0 3 276.355 3.609 20 30 CHEDHN C#C[C@@H]1CCCN([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172867843 1132332988 /nfs/dbraw/zinc/33/29/88/1132332988.db2.gz AONXIGWIDXPCIJ-CHWSQXEVSA-N 0 3 279.786 3.755 20 30 CHEDHN Cc1nc2ccc(Nc3cc(C#N)ccc3C)cc2[nH]1 ZINC001213074479 1132373618 /nfs/dbraw/zinc/37/36/18/1132373618.db2.gz WONRJOIJIYTOHW-UHFFFAOYSA-N 0 3 262.316 3.795 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3cccnc3)C2)cc1Cl ZINC001232115050 1132423263 /nfs/dbraw/zinc/42/32/63/1132423263.db2.gz DNZQYIJLQOLMEW-INIZCTEOSA-N 0 3 297.789 3.596 20 30 CHEDHN CC[C@@H]1CCCC[C@@H]1C=Nn1cnnc1-c1ccccc1 ZINC000842524341 1132436840 /nfs/dbraw/zinc/43/68/40/1132436840.db2.gz ADNPIIAGGDNKAN-GDBMZVCRSA-N 0 3 282.391 3.995 20 30 CHEDHN CCc1ccc(C[C@@H](C)NCC2(C#N)CCCC2)cc1 ZINC001173240187 1132441347 /nfs/dbraw/zinc/44/13/47/1132441347.db2.gz WQACSMKZJZOJCR-OAHLLOKOSA-N 0 3 270.420 3.854 20 30 CHEDHN C=CCOC1CCC(n2c3ccccc3nc2[C@H](C)N)CC1 ZINC001173308930 1132449212 /nfs/dbraw/zinc/44/92/12/1132449212.db2.gz PSVWLVGHKHYWMN-NFOMZHRRSA-N 0 3 299.418 3.742 20 30 CHEDHN CCCCCCCC[C@H](CCC)n1nncc1CN ZINC001173309724 1132449430 /nfs/dbraw/zinc/44/94/30/1132449430.db2.gz KBAICNLMAKODGU-AWEZNQCLSA-N 0 3 266.433 3.829 20 30 CHEDHN N#CC(C(=O)C=CC1CCCC1)c1cnc2ccccc2n1 ZINC000842776794 1132460955 /nfs/dbraw/zinc/46/09/55/1132460955.db2.gz ZWZXEZAZKQYRTO-CMUBDUJZSA-N 0 3 291.354 3.552 20 30 CHEDHN C=CCN(Cc1cc(OC)ccc1OCC)C(C)(C)C ZINC001232386710 1132462010 /nfs/dbraw/zinc/46/20/10/1132462010.db2.gz SJCAUZVDKMDRAZ-UHFFFAOYSA-N 0 3 277.408 3.880 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cccc(C)c2OC(C)C)C1 ZINC001232395149 1132465675 /nfs/dbraw/zinc/46/56/75/1132465675.db2.gz PPGPWZFYOQNPLW-INIZCTEOSA-N 0 3 271.404 3.627 20 30 CHEDHN CCC(CC)N(C)Cc1ccc(Cl)cc1C#N ZINC001232609800 1132493699 /nfs/dbraw/zinc/49/36/99/1132493699.db2.gz SFDSEEGZHPXJSY-UHFFFAOYSA-N 0 3 250.773 3.832 20 30 CHEDHN CC1(C#N)CCC(NCc2c(Cl)cncc2Cl)CC1 ZINC001173589028 1132496786 /nfs/dbraw/zinc/49/67/86/1132496786.db2.gz RJUATVUDDHXMFC-UHFFFAOYSA-N 0 3 298.217 3.950 20 30 CHEDHN Cc1cc(C)c(C[NH2+]C2CCC(C)(C#N)CC2)c([O-])c1 ZINC001173590305 1132497372 /nfs/dbraw/zinc/49/73/72/1132497372.db2.gz FTBQMABXAZZDIV-UHFFFAOYSA-N 0 3 272.392 3.571 20 30 CHEDHN CC1(C#N)CCC(N2CCC[C@H]2c2nccs2)CC1 ZINC001173596942 1132498047 /nfs/dbraw/zinc/49/80/47/1132498047.db2.gz BTKAPDVZBHRNGB-OWYJLGKBSA-N 0 3 275.421 3.752 20 30 CHEDHN C#CC1CCN(Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001232733240 1132510659 /nfs/dbraw/zinc/51/06/59/1132510659.db2.gz FTKXNZXESQWHFN-UHFFFAOYSA-N 0 3 272.779 3.667 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc(C)nc1N ZINC001143203982 1132516914 /nfs/dbraw/zinc/51/69/14/1132516914.db2.gz UTGWMMGCUQAHTB-UHFFFAOYSA-N 0 3 263.429 3.765 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2conc2Cc2ccccc2)C1 ZINC000843422364 1132529718 /nfs/dbraw/zinc/52/97/18/1132529718.db2.gz DYQKXRXFNZVKOD-QGZVFWFLSA-N 0 3 294.398 3.501 20 30 CHEDHN Cc1ccc(CN2CCC3(CCCC3)C2)c(C#N)c1 ZINC001232965963 1132550568 /nfs/dbraw/zinc/55/05/68/1132550568.db2.gz CEJIHHXNUJVWRF-UHFFFAOYSA-N 0 3 254.377 3.633 20 30 CHEDHN Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)c(C#N)c1 ZINC001232961882 1132551043 /nfs/dbraw/zinc/55/10/43/1132551043.db2.gz HZGHDEAFWGCFMS-GOSISDBHSA-N 0 3 276.383 3.856 20 30 CHEDHN Cc1ccc(CN(C)CCCc2ccccc2)c(C#N)c1 ZINC001232966496 1132552515 /nfs/dbraw/zinc/55/25/15/1132552515.db2.gz OHSKUCMFNQHFOW-UHFFFAOYSA-N 0 3 278.399 3.931 20 30 CHEDHN Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(C#N)c1 ZINC001232967171 1132554154 /nfs/dbraw/zinc/55/41/54/1132554154.db2.gz GCYJGUNFLYKJJQ-PBHICJAKSA-N 0 3 254.377 3.631 20 30 CHEDHN CCCCCCCCN(C)Cc1cc(O)c(O)c(O)c1 ZINC001233013812 1132563248 /nfs/dbraw/zinc/56/32/48/1132563248.db2.gz UFMNDPODESWGRA-UHFFFAOYSA-N 0 3 281.396 3.596 20 30 CHEDHN CN(C)c1ccc(CN2CCCCCCC2)c(F)c1C#N ZINC001233100999 1132571562 /nfs/dbraw/zinc/57/15/62/1132571562.db2.gz QDBSVDNEVZFMHB-UHFFFAOYSA-N 0 3 289.398 3.529 20 30 CHEDHN Cc1cccc(Nc2ccccc2CN(C)C)c1C#N ZINC001173930408 1132642689 /nfs/dbraw/zinc/64/26/89/1132642689.db2.gz WEKFGGJPKGAWAB-UHFFFAOYSA-N 0 3 265.360 3.672 20 30 CHEDHN CN(C)Cc1ccccc1Nc1ccc(F)c(C#N)c1 ZINC001173929990 1132643216 /nfs/dbraw/zinc/64/32/16/1132643216.db2.gz PCPCCOCATAJENL-UHFFFAOYSA-N 0 3 269.323 3.503 20 30 CHEDHN CN(C)Cc1ccccc1Nc1ccccc1CC#N ZINC001173931717 1132644533 /nfs/dbraw/zinc/64/45/33/1132644533.db2.gz KAGHITHKOWMQQD-UHFFFAOYSA-N 0 3 265.360 3.558 20 30 CHEDHN CC(C)P(CCNc1nnc(Cl)cc1C#N)C(C)C ZINC001162358819 1133071166 /nfs/dbraw/zinc/07/11/66/1133071166.db2.gz UMMONIFNYDKPHI-UHFFFAOYSA-N 0 3 298.758 3.712 20 30 CHEDHN N#Cc1cc(F)cc(CN2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000250758881 1133094046 /nfs/dbraw/zinc/09/40/46/1133094046.db2.gz SMJDIZIHJATMHU-CVEARBPZSA-N 0 3 272.367 3.709 20 30 CHEDHN C=C(C)c1ccc(NCC2CN(Cc3ccccc3)C2)nc1 ZINC001165442893 1133242332 /nfs/dbraw/zinc/24/23/32/1133242332.db2.gz SKDXBDYNIHCVHB-UHFFFAOYSA-N 0 3 293.414 3.659 20 30 CHEDHN C=CC[N@@H+](Cc1cccc(OC)c1[O-])C1CCCCC1 ZINC001203601806 1133343453 /nfs/dbraw/zinc/34/34/53/1133343453.db2.gz LPGLZKXHBJVYNS-UHFFFAOYSA-N 0 3 275.392 3.722 20 30 CHEDHN C=CC[N@H+](Cc1cccc(OC)c1[O-])C1CCCCC1 ZINC001203601806 1133343459 /nfs/dbraw/zinc/34/34/59/1133343459.db2.gz LPGLZKXHBJVYNS-UHFFFAOYSA-N 0 3 275.392 3.722 20 30 CHEDHN C=CC[N@@H+](Cc1ccc(OC)cc1[O-])C1CCCCC1 ZINC001203634461 1133345903 /nfs/dbraw/zinc/34/59/03/1133345903.db2.gz HGPCCXXDMCJRSN-UHFFFAOYSA-N 0 3 275.392 3.722 20 30 CHEDHN C=CC[N@H+](Cc1ccc(OC)cc1[O-])C1CCCCC1 ZINC001203634461 1133345909 /nfs/dbraw/zinc/34/59/09/1133345909.db2.gz HGPCCXXDMCJRSN-UHFFFAOYSA-N 0 3 275.392 3.722 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001204415034 1133445052 /nfs/dbraw/zinc/44/50/52/1133445052.db2.gz IGZDWBQJSIZIGZ-GFCCVEGCSA-N 0 3 298.308 3.711 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(OCCC)cc1C ZINC001205053660 1133521607 /nfs/dbraw/zinc/52/16/07/1133521607.db2.gz YSQLINOWUIZBBW-UHFFFAOYSA-N 0 3 259.393 3.958 20 30 CHEDHN N#Cc1cc(F)cc(CN2CCC3(CCCC3)CC2)c1 ZINC000163609924 1133623637 /nfs/dbraw/zinc/62/36/37/1133623637.db2.gz PKCYLZLPDGVZHN-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN N#Cc1cc(CN2CCC[C@@H](C3CCC3)C2)cs1 ZINC001206715828 1133735244 /nfs/dbraw/zinc/73/52/44/1133735244.db2.gz YJTSBBXWDZIWLF-CQSZACIVSA-N 0 3 260.406 3.632 20 30 CHEDHN CCN(CCC#N)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207406804 1133797483 /nfs/dbraw/zinc/79/74/83/1133797483.db2.gz KGLKZVJFZVLSMI-KRWDZBQOSA-N 0 3 292.467 3.890 20 30 CHEDHN C=CCN(CC=C)CCc1ccc(Br)cc1 ZINC001207385646 1133797589 /nfs/dbraw/zinc/79/75/89/1133797589.db2.gz ILDYTQXKHBKDTQ-UHFFFAOYSA-N 0 3 280.209 3.666 20 30 CHEDHN C=CC[C@H]1CC[C@@H](NCc2nc3ccccc3o2)C1 ZINC001207604276 1133827926 /nfs/dbraw/zinc/82/79/26/1133827926.db2.gz NZCFDPITUPFMSB-QWHCGFSZSA-N 0 3 256.349 3.662 20 30 CHEDHN N#Cc1c(F)cccc1CNCC1CCC=CCC1 ZINC001207639158 1133835209 /nfs/dbraw/zinc/83/52/09/1133835209.db2.gz NSKPQJHFFVZFIK-UHFFFAOYSA-N 0 3 258.340 3.533 20 30 CHEDHN C=CCCCCCCCCCN1CCCC[C@@H]1C(N)=O ZINC001207899230 1133858712 /nfs/dbraw/zinc/85/87/12/1133858712.db2.gz QLGAJKGQGZQJHZ-MRXNPFEDSA-N 0 3 280.456 3.633 20 30 CHEDHN Cc1ccc([C@@H](C)CCN2CCC(C)(C#N)CC2)o1 ZINC001208168691 1133895352 /nfs/dbraw/zinc/89/53/52/1133895352.db2.gz PFIBUDSPAUKINZ-ZDUSSCGKSA-N 0 3 260.381 3.707 20 30 CHEDHN CN(CCCc1ccc(C#N)cc1)Cc1ccccc1F ZINC001208858615 1133953189 /nfs/dbraw/zinc/95/31/89/1133953189.db2.gz OHUCRABVHKNANX-UHFFFAOYSA-N 0 3 282.362 3.762 20 30 CHEDHN C=CCCCCN1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001209205346 1133987873 /nfs/dbraw/zinc/98/78/73/1133987873.db2.gz WBXRRADOPVNKJS-SFHVURJKSA-N 0 3 273.420 3.899 20 30 CHEDHN C=CCCCCN1CCN(c2ccccc2OCC)CC1 ZINC001209201898 1133988178 /nfs/dbraw/zinc/98/81/78/1133988178.db2.gz YKCYBTZXTBVOGD-UHFFFAOYSA-N 0 3 288.435 3.564 20 30 CHEDHN C=CCCCCCN1CCc2cc3c(cc2C1)OCO3 ZINC001209423655 1134014089 /nfs/dbraw/zinc/01/40/89/1134014089.db2.gz WECIIDDGIHFPTA-UHFFFAOYSA-N 0 3 273.376 3.520 20 30 CHEDHN C=CCCCCCCCCN1CC[C@](O)(C(F)(F)F)C1 ZINC001209442127 1134022505 /nfs/dbraw/zinc/02/25/05/1134022505.db2.gz AMAAHWLAJVJEHH-CQSZACIVSA-N 0 3 293.373 3.902 20 30 CHEDHN Cc1cc(Nc2ccnc(C3CCC3)c2)cnc1C#N ZINC001210202800 1134165198 /nfs/dbraw/zinc/16/51/98/1134165198.db2.gz RPEJRBRAALLHQL-UHFFFAOYSA-N 0 3 264.332 3.668 20 30 CHEDHN Cc1cc(NC2=CC(=O)C[C@H](C)C2)c2ccsc2n1 ZINC001210772018 1134292046 /nfs/dbraw/zinc/29/20/46/1134292046.db2.gz VNNZNGXZRMWIPS-SECBINFHSA-N 0 3 272.373 3.900 20 30 CHEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(C)c(C)c2)no1 ZINC001211436611 1134416669 /nfs/dbraw/zinc/41/66/69/1134416669.db2.gz RTMCOUXXZWIGAN-UHFFFAOYSA-N 0 3 297.402 3.853 20 30 CHEDHN CC(C)(C)c1cc(Nc2c(N)cccc2C#N)ccn1 ZINC001213168754 1134434186 /nfs/dbraw/zinc/43/41/86/1134434186.db2.gz SPESKQGIQNXDJY-UHFFFAOYSA-N 0 3 266.348 3.577 20 30 CHEDHN Cc1cc(C#N)cc(C)c1Nc1ccc2c(c1)CN(C)CC2 ZINC001215648089 1134656304 /nfs/dbraw/zinc/65/63/04/1134656304.db2.gz MDXURUBOMKEGIK-UHFFFAOYSA-N 0 3 291.398 3.907 20 30 CHEDHN CC(C)C[NH2+]Cc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001215745193 1134672084 /nfs/dbraw/zinc/67/20/84/1134672084.db2.gz JNMLDHREXRATRN-UHFFFAOYSA-N 0 3 295.386 3.753 20 30 CHEDHN C=C[C@H](CCCCCCC)OC[C@@H]1COC(C)(C)N1 ZINC001217884481 1135016933 /nfs/dbraw/zinc/01/69/33/1135016933.db2.gz OAZUFHANLGEOCU-HUUCEWRRSA-N 0 3 269.429 3.643 20 30 CHEDHN C=C(C)[C@H]1CC=C(C)[C@@H](Oc2cccc3c2CNC3)C1 ZINC001218214262 1135070659 /nfs/dbraw/zinc/07/06/59/1135070659.db2.gz MXRPSIQFQVVUCK-KSSFIOAISA-N 0 3 269.388 3.970 20 30 CHEDHN C#C[C@H](Oc1cccc2c1CNC2)[C@H](CC)CCCC ZINC001218291725 1135079919 /nfs/dbraw/zinc/07/99/19/1135079919.db2.gz LETMNZWXHMZSOL-PBHICJAKSA-N 0 3 271.404 3.887 20 30 CHEDHN CCC[C@@H](C#Cc1ccccc1)Oc1cccc2c1CNC2 ZINC001218439068 1135105707 /nfs/dbraw/zinc/10/57/07/1135105707.db2.gz PMQLXIGWEODZFB-SFHVURJKSA-N 0 3 291.394 3.889 20 30 CHEDHN CCC[C@H](C#Cc1ccccc1)Oc1cccc2c1CNC2 ZINC001218439066 1135106385 /nfs/dbraw/zinc/10/63/85/1135106385.db2.gz PMQLXIGWEODZFB-GOSISDBHSA-N 0 3 291.394 3.889 20 30 CHEDHN CC(=O)/C=C\c1ccc(O[C@@H]2CNCc3ccccc32)cc1 ZINC001218485734 1135114245 /nfs/dbraw/zinc/11/42/45/1135114245.db2.gz FAALDYUAFXVIRT-LIXSYLKWSA-N 0 3 293.366 3.512 20 30 CHEDHN C=CCc1ccc(O[C@H]2CNCc3ccccc32)cc1 ZINC001218487876 1135115109 /nfs/dbraw/zinc/11/51/09/1135115109.db2.gz IQQCDAGVSDOKAM-SFHVURJKSA-N 0 3 265.356 3.638 20 30 CHEDHN Cc1cc(C#N)cc(Cl)c1O[C@@H]1CNCc2ccccc21 ZINC001218486066 1135115639 /nfs/dbraw/zinc/11/56/39/1135115639.db2.gz NQYHMQNQUDGDQB-MRXNPFEDSA-N 0 3 298.773 3.743 20 30 CHEDHN CCC(CC)N(C)Cc1ccc(Br)cc1C#N ZINC000310106139 1135120386 /nfs/dbraw/zinc/12/03/86/1135120386.db2.gz ANIYXXCNJMBHGI-UHFFFAOYSA-N 0 3 295.224 3.941 20 30 CHEDHN C=C[C@@H]1C[C@]1(N)C(=O)Nc1ccc(C2CC2)c2ccccc12 ZINC001219094268 1135127335 /nfs/dbraw/zinc/12/73/35/1135127335.db2.gz CNYVHSFJOLNLRC-BFUOFWGJSA-N 0 3 292.382 3.559 20 30 CHEDHN N#CC1(c2ccccc2)CC(NCCOC2CCCCC2)C1 ZINC000316089554 1135164561 /nfs/dbraw/zinc/16/45/61/1135164561.db2.gz MAEXGTZKPACKSI-UHFFFAOYSA-N 0 3 298.430 3.549 20 30 CHEDHN Cc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1F ZINC000316913169 1135170178 /nfs/dbraw/zinc/17/01/78/1135170178.db2.gz JPAFOJVZOVYFIB-AWEZNQCLSA-N 0 3 298.361 3.887 20 30 CHEDHN N#C[C@H](O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001223714928 1135374581 /nfs/dbraw/zinc/37/45/81/1135374581.db2.gz RMYHSWIMJGMBNN-MOPGFXCFSA-N 0 3 292.382 3.542 20 30 CHEDHN C=C(C)CCCO[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001224281064 1135435282 /nfs/dbraw/zinc/43/52/82/1135435282.db2.gz GMHFTCOMFWSWJU-JKSUJKDBSA-N 0 3 274.408 3.590 20 30 CHEDHN C=C(C)CCCO[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224280827 1135435424 /nfs/dbraw/zinc/43/54/24/1135435424.db2.gz DGYNJGIUWWKCQE-IRXDYDNUSA-N 0 3 288.435 3.980 20 30 CHEDHN C=CCCCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224506588 1135454932 /nfs/dbraw/zinc/45/49/32/1135454932.db2.gz XBJLGRYDVHQEMU-CGTJXYLNSA-N 0 3 293.451 3.724 20 30 CHEDHN Cc1cc(C#N)cc(Cl)c1O[C@@H]1CCCN(C(C)C)C1 ZINC001226594899 1135717329 /nfs/dbraw/zinc/71/73/29/1135717329.db2.gz GEMABKQJTUCVPA-CQSZACIVSA-N 0 3 292.810 3.772 20 30 CHEDHN CC[C@]1(C)CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000347248897 529395492 /nfs/dbraw/zinc/39/54/92/529395492.db2.gz FTKRFBLHQGZCQF-QGZVFWFLSA-N 0 3 272.392 3.579 20 30 CHEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1F ZINC000352847647 529604276 /nfs/dbraw/zinc/60/42/76/529604276.db2.gz DUUXUSXIXJKWSW-SFHVURJKSA-N 0 3 298.361 3.817 20 30 CHEDHN CCc1cnccc1[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353264205 529678694 /nfs/dbraw/zinc/67/86/94/529678694.db2.gz XKXKJPNRAFSRGU-YJYMSZOUSA-N 0 3 291.398 3.854 20 30 CHEDHN CN(CCC1CC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356144274 529876486 /nfs/dbraw/zinc/87/64/86/529876486.db2.gz YRWCMALJKGFBLS-UHFFFAOYSA-N 0 3 282.309 3.809 20 30 CHEDHN C=CCCCCCNCc1ncc(CSC)s1 ZINC000573696590 334958771 /nfs/dbraw/zinc/95/87/71/334958771.db2.gz KLNQCRNWXKEHGA-UHFFFAOYSA-N 0 3 270.467 3.842 20 30 CHEDHN C=C(CC)CN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000313488404 260298433 /nfs/dbraw/zinc/29/84/33/260298433.db2.gz QIVYKHDMKBJLNL-AWEZNQCLSA-N 0 3 263.381 3.711 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@H](C)c1ccncc1OC ZINC000449267762 260334177 /nfs/dbraw/zinc/33/41/77/260334177.db2.gz BGTLGVLCXAJUKW-ZIAGYGMSSA-N 0 3 262.397 3.876 20 30 CHEDHN C=CCOc1ccc(CNCC2(OC)CCC2)cc1Cl ZINC000181087066 260561612 /nfs/dbraw/zinc/56/16/12/260561612.db2.gz PZCKSYGRJXWXJI-UHFFFAOYSA-N 0 3 295.810 3.564 20 30 CHEDHN C[C@@H](NCCC(C)(C)C#N)c1cnn(Cc2ccccc2)c1 ZINC000347255858 533373518 /nfs/dbraw/zinc/37/35/18/533373518.db2.gz VIVYFHMHKJUHOM-OAHLLOKOSA-N 0 3 296.418 3.522 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccccc1 ZINC000347303861 533494539 /nfs/dbraw/zinc/49/45/39/533494539.db2.gz IYAGWEBRAOGHSK-GOSISDBHSA-N 0 3 292.382 3.904 20 30 CHEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000347295768 533495128 /nfs/dbraw/zinc/49/51/28/533495128.db2.gz CHKPUUPYSBNMPP-CJNGLKHVSA-N 0 3 272.392 3.577 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(F)c1 ZINC000341758238 130025646 /nfs/dbraw/zinc/02/56/46/130025646.db2.gz OUIULHFSPFULLG-SFHVURJKSA-N 0 3 280.346 3.865 20 30 CHEDHN C[C@@H](NCc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000020473425 171217402 /nfs/dbraw/zinc/21/74/02/171217402.db2.gz MCPMGTGHHCQBEY-GFCCVEGCSA-N 0 3 254.308 3.548 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000035175656 172028534 /nfs/dbraw/zinc/02/85/34/172028534.db2.gz JRUKQVQFJSOXHL-HUUCEWRRSA-N 0 3 272.367 3.709 20 30 CHEDHN C=CCN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000037373632 173163434 /nfs/dbraw/zinc/16/34/34/173163434.db2.gz XPDJERGXOLGOPL-KRWDZBQOSA-N 0 3 253.345 3.560 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C(F)F)CC1 ZINC000334662776 225268188 /nfs/dbraw/zinc/26/81/88/225268188.db2.gz DILRTAAURBUEHA-LLVKDONJSA-N 0 3 264.319 3.596 20 30 CHEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000334773863 225317188 /nfs/dbraw/zinc/31/71/88/225317188.db2.gz SUYPYTCLOSXNOX-FZMZJTMJSA-N 0 3 276.767 3.553 20 30 CHEDHN Cc1cccc(Oc2ccccc2CNC(=O)C(C)C#N)c1 ZINC000347144583 226059601 /nfs/dbraw/zinc/05/96/01/226059601.db2.gz XSEDXYKWFSKLAH-CQSZACIVSA-N 0 3 294.354 3.563 20 30 CHEDHN N#Cc1ccc(C2=CCN(CC[C@H]3CCCCO3)CC2)cc1 ZINC000347565518 226194401 /nfs/dbraw/zinc/19/44/01/226194401.db2.gz HZLHMKUOJSNIEJ-LJQANCHMSA-N 0 3 296.414 3.607 20 30 CHEDHN N#C[C@H]1CC[C@H](N2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000336630915 227222149 /nfs/dbraw/zinc/22/21/49/227222149.db2.gz QTTYNQBWYYMNCS-GUYCJALGSA-N 0 3 270.351 3.607 20 30 CHEDHN CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353262774 228076043 /nfs/dbraw/zinc/07/60/43/228076043.db2.gz IXUYPCNYZJBNOG-RTBURBONSA-N 0 3 292.382 3.523 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCC1(C(F)(F)F)CCC1)CC2 ZINC000353669246 228142298 /nfs/dbraw/zinc/14/22/98/228142298.db2.gz UANKRZPIINXSPD-CQSZACIVSA-N 0 3 294.320 3.868 20 30 CHEDHN N#Cc1csc(CN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000353843616 228158262 /nfs/dbraw/zinc/15/82/62/228158262.db2.gz IZCXBLOEOSLDGV-DZGCQCFKSA-N 0 3 260.406 3.774 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2Cc3ccccc3C3(CCC3)C2)C1 ZINC000336131097 228193475 /nfs/dbraw/zinc/19/34/75/228193475.db2.gz VLJSNOCTFOTOCR-GDBMZVCRSA-N 0 3 266.388 3.616 20 30 CHEDHN CC[C@H](C)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000179695215 260064545 /nfs/dbraw/zinc/06/45/45/260064545.db2.gz YUSJZKAZMHNDPE-AWEZNQCLSA-N 0 3 268.360 3.952 20 30 CHEDHN C=C(C)CCN(C)Cc1csc(Br)c1 ZINC000404202277 260068950 /nfs/dbraw/zinc/06/89/50/260068950.db2.gz KXNMDIVLQOWGEN-UHFFFAOYSA-N 0 3 274.227 3.909 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000179916077 260080055 /nfs/dbraw/zinc/08/00/55/260080055.db2.gz FPKZHWQVROOCHW-SFHVURJKSA-N 0 3 280.346 3.865 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)s1 ZINC000309506172 260172256 /nfs/dbraw/zinc/17/22/56/260172256.db2.gz BZAHBMZNMBKTHN-IVZWLZJFSA-N 0 3 254.786 3.744 20 30 CHEDHN CC1(C)CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000079678719 260177098 /nfs/dbraw/zinc/17/70/98/260177098.db2.gz KVRGJJZGJBIHID-UHFFFAOYSA-N 0 3 260.356 3.756 20 30 CHEDHN C=CCCN[C@H](C)c1ccccc1Br ZINC000088162662 260278685 /nfs/dbraw/zinc/27/86/85/260278685.db2.gz LTFXCKINZNAOME-SNVBAGLBSA-N 0 3 254.171 3.676 20 30 CHEDHN N#CCCCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000057620327 260225239 /nfs/dbraw/zinc/22/52/39/260225239.db2.gz KCSBIXHGHYLURK-SFHVURJKSA-N 0 3 264.372 3.864 20 30 CHEDHN C=CCCCCN[C@H](C)c1cc(OC)ccc1OC ZINC000311610805 260255450 /nfs/dbraw/zinc/25/54/50/260255450.db2.gz JFHREZKBBWTDBL-CYBMUJFWSA-N 0 3 263.381 3.711 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H](CO)c1cccc(F)c1 ZINC000449145268 260256377 /nfs/dbraw/zinc/25/63/77/260256377.db2.gz WQSDKIGTAXWSDS-XJKSGUPXSA-N 0 3 265.372 3.584 20 30 CHEDHN CC(C)(C#N)CCN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000363468736 260274956 /nfs/dbraw/zinc/27/49/56/260274956.db2.gz MHYIJVZUGHCXGN-IAGOWNOFSA-N 0 3 286.419 3.514 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N(Cc2cccc(F)c2C#N)C1 ZINC000428229455 260904387 /nfs/dbraw/zinc/90/43/87/260904387.db2.gz FTFYSOJQVVDNKG-CHWSQXEVSA-N 0 3 260.356 3.708 20 30 CHEDHN CCCN(CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000448381894 261137173 /nfs/dbraw/zinc/13/71/73/261137173.db2.gz LPENAFKYVZNLDR-UHFFFAOYSA-N 0 3 261.796 3.814 20 30 CHEDHN C=CCC[C@@H](N[C@H]1CCc2nc(C)ncc2C1)c1ccco1 ZINC000367603292 261305153 /nfs/dbraw/zinc/30/51/53/261305153.db2.gz YWPQVSOXNZZBEV-DOTOQJQBSA-N 0 3 297.402 3.532 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CCc2nc(C)ncc2C1)c1ccco1 ZINC000367603295 261306493 /nfs/dbraw/zinc/30/64/93/261306493.db2.gz YWPQVSOXNZZBEV-WBVHZDCISA-N 0 3 297.402 3.532 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OCCCC)c(OC)c1 ZINC000497201712 262104086 /nfs/dbraw/zinc/10/40/86/262104086.db2.gz WOWNHWZHFQFWKY-UHFFFAOYSA-N 0 3 277.408 3.882 20 30 CHEDHN CC(C)c1cccc2c1CCN(CCCCC#N)C2 ZINC000191894134 262196446 /nfs/dbraw/zinc/19/64/46/262196446.db2.gz UTRQXOLFELTBRQ-UHFFFAOYSA-N 0 3 256.393 3.862 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCCc3sccc32)C1 ZINC000193295609 262220226 /nfs/dbraw/zinc/22/02/26/262220226.db2.gz HIZNBTUJCKCVQQ-OUCADQQQSA-N 0 3 260.406 3.797 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000364671633 262256684 /nfs/dbraw/zinc/25/66/84/262256684.db2.gz HYGBPHMDENOVDT-HZPDHXFCSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000364671633 262256685 /nfs/dbraw/zinc/25/66/85/262256685.db2.gz HYGBPHMDENOVDT-HZPDHXFCSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364671633 262256686 /nfs/dbraw/zinc/25/66/86/262256686.db2.gz HYGBPHMDENOVDT-HZPDHXFCSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000186716752 262320399 /nfs/dbraw/zinc/32/03/99/262320399.db2.gz CAAUBBYWCJJHIF-GXSJLCMTSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CCSCCN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000221936355 262333482 /nfs/dbraw/zinc/33/34/82/262333482.db2.gz XCXNTMAEAYDWBH-HNNXBMFYSA-N 0 3 294.420 3.945 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC000228719671 262343387 /nfs/dbraw/zinc/34/33/87/262343387.db2.gz XWXSNPHPHBKFAR-XJKSGUPXSA-N 0 3 274.795 3.976 20 30 CHEDHN COc1ccccc1[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000365234089 262353131 /nfs/dbraw/zinc/35/31/31/262353131.db2.gz MKFYGVVJOGSPOW-SFHVURJKSA-N 0 3 291.394 3.536 20 30 CHEDHN CC(C)(C#N)CCCN1CC=C(C(F)(F)F)CC1 ZINC000336734019 262386105 /nfs/dbraw/zinc/38/61/05/262386105.db2.gz UZFSOPCOBOEOGM-UHFFFAOYSA-N 0 3 260.303 3.511 20 30 CHEDHN CCC[C@@H](NCC(C)(C)CC#N)c1cccc([N+](=O)[O-])c1 ZINC000414170570 262813358 /nfs/dbraw/zinc/81/33/58/262813358.db2.gz SUVWVNPUDSWNDU-OAHLLOKOSA-N 0 3 289.379 3.965 20 30 CHEDHN CC(C)(CC#N)CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000414170932 262813439 /nfs/dbraw/zinc/81/34/39/262813439.db2.gz UBHVWMGBCVWCTF-HNNXBMFYSA-N 0 3 260.356 3.806 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@@H](c2ccccc2F)C1 ZINC000271998964 263001115 /nfs/dbraw/zinc/00/11/15/263001115.db2.gz GWVIAJLGFYBKEF-CYBMUJFWSA-N 0 3 260.356 3.555 20 30 CHEDHN C[C@@H](NCCC(C)(C)C#N)c1ccccc1OC(F)F ZINC000272049175 263001805 /nfs/dbraw/zinc/00/18/05/263001805.db2.gz SZTXQLBZBAIQAD-LLVKDONJSA-N 0 3 282.334 3.878 20 30 CHEDHN CCc1cc(N2CCC(C)(C#N)CC2)c2ccccc2n1 ZINC000272590525 263007347 /nfs/dbraw/zinc/00/73/47/263007347.db2.gz ZSZPHBRMHXZVPU-UHFFFAOYSA-N 0 3 279.387 3.927 20 30 CHEDHN N#CCCCNCc1cccc(OCc2ccc(F)cc2)c1 ZINC000273039133 263011430 /nfs/dbraw/zinc/01/14/30/263011430.db2.gz IALGUYIRLWGNPF-UHFFFAOYSA-N 0 3 298.361 3.798 20 30 CHEDHN Cc1nc(C(C)C)sc1[C@H](C)NCCCC#N ZINC000273254255 263014308 /nfs/dbraw/zinc/01/43/08/263014308.db2.gz LLVXHIIIPMUFJD-JTQLQIEISA-N 0 3 251.399 3.529 20 30 CHEDHN N#CCCCN[C@H]1CCSc2ccc(Cl)cc21 ZINC000273257520 263014312 /nfs/dbraw/zinc/01/43/12/263014312.db2.gz MDPRSTIKXWWEDS-LBPRGKRZSA-N 0 3 266.797 3.770 20 30 CHEDHN CC(C#N)C(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000437471103 263016963 /nfs/dbraw/zinc/01/69/63/263016963.db2.gz HWBZVZPHNSOQGA-CYBMUJFWSA-N 0 3 296.395 3.614 20 30 CHEDHN Cc1cccc2c1ncc(C)c2N1CCC(C)(C#N)CC1 ZINC000274175062 263021639 /nfs/dbraw/zinc/02/16/39/263021639.db2.gz NQUUPXXQUKGBDO-UHFFFAOYSA-N 0 3 279.387 3.982 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(OC(F)F)cc1 ZINC000274416583 263023875 /nfs/dbraw/zinc/02/38/75/263023875.db2.gz HZZRQXAAHRWNIG-DMDPSCGWSA-N 0 3 280.318 3.631 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(OC(F)F)cc1 ZINC000274416587 263023984 /nfs/dbraw/zinc/02/39/84/263023984.db2.gz HZZRQXAAHRWNIG-GVXVVHGQSA-N 0 3 280.318 3.631 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc2ccccc2o1 ZINC000274628947 263028151 /nfs/dbraw/zinc/02/81/51/263028151.db2.gz OKPWAGVGGRQWBK-OUCADQQQSA-N 0 3 254.333 3.776 20 30 CHEDHN Cc1ccc2cc(CN3CCC(C)(C#N)CC3)ccc2n1 ZINC000276279781 263035743 /nfs/dbraw/zinc/03/57/43/263035743.db2.gz RWNLAXKGTCZCOE-UHFFFAOYSA-N 0 3 279.387 3.669 20 30 CHEDHN Cc1cccc(NC2CCN([C@H](C)CCC#N)CC2)c1 ZINC000276339038 263036494 /nfs/dbraw/zinc/03/64/94/263036494.db2.gz SUNCZGJHOYNOBG-OAHLLOKOSA-N 0 3 271.408 3.564 20 30 CHEDHN COC1(C[C@H](C)N[C@H](CCC#N)c2ccccc2)CCC1 ZINC000277176547 263039856 /nfs/dbraw/zinc/03/98/56/263039856.db2.gz SOGFXFMZKCBXBA-DOTOQJQBSA-N 0 3 286.419 3.969 20 30 CHEDHN CC[C@H](N[C@H](C)CCC#N)c1ccc(F)cc1F ZINC000278526719 263048583 /nfs/dbraw/zinc/04/85/83/263048583.db2.gz DHRDMDSUYLJFBQ-YGRLFVJLSA-N 0 3 252.308 3.698 20 30 CHEDHN CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278701804 263049807 /nfs/dbraw/zinc/04/98/07/263049807.db2.gz SZUMINKAPCOPNS-QWHCGFSZSA-N 0 3 298.308 3.709 20 30 CHEDHN CC1(C#N)CCN(CCSCc2ccccc2)CC1 ZINC000279025712 263052367 /nfs/dbraw/zinc/05/23/67/263052367.db2.gz CPVOSWAVFKSZDN-UHFFFAOYSA-N 0 3 274.433 3.545 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000281968252 263073204 /nfs/dbraw/zinc/07/32/04/263073204.db2.gz JVRVOASDLCTRNZ-LBPRGKRZSA-N 0 3 282.309 3.612 20 30 CHEDHN Cc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)c([O-])c1C ZINC000282258151 263075321 /nfs/dbraw/zinc/07/53/21/263075321.db2.gz JUCZQINDFGKQFA-QQFBHYJXSA-N 0 3 286.419 3.990 20 30 CHEDHN Cc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)c([O-])c1 ZINC000282286775 263075606 /nfs/dbraw/zinc/07/56/06/263075606.db2.gz LISQWEFKQHSXQM-NFOMZHRRSA-N 0 3 272.392 3.681 20 30 CHEDHN N#CCC[C@H](N[C@@H]1CCC12CCC2)c1ccccc1 ZINC000282406354 263076468 /nfs/dbraw/zinc/07/64/68/263076468.db2.gz YBICAUVZMJPIJY-JKSUJKDBSA-N 0 3 254.377 3.954 20 30 CHEDHN Cc1cc2cc(CN[C@H]3CCC[C@H](C#N)C3)ccc2[nH]1 ZINC000285544544 263094054 /nfs/dbraw/zinc/09/40/54/263094054.db2.gz DMFCSCKJAVVYAW-BBRMVZONSA-N 0 3 267.376 3.648 20 30 CHEDHN CC1(C)CN(CCCSCC#N)[C@H]1c1cccs1 ZINC000287016494 263100661 /nfs/dbraw/zinc/10/06/61/263100661.db2.gz RARLWOIHJBGVFQ-ZDUSSCGKSA-N 0 3 280.462 3.778 20 30 CHEDHN N#CCCCCN1CCCN(c2ccccc2Cl)CC1 ZINC000289368244 263109843 /nfs/dbraw/zinc/10/98/43/263109843.db2.gz OUOHEMXWBHMSOX-UHFFFAOYSA-N 0 3 291.826 3.546 20 30 CHEDHN COc1ccc2c(c1)C1(CC1)CN(CCCC(C)(C)C#N)C2 ZINC000289442186 263110224 /nfs/dbraw/zinc/11/02/24/263110224.db2.gz DUGDKBGWXVOGSQ-UHFFFAOYSA-N 0 3 298.430 3.872 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CCCSC1)c1ccco1 ZINC000353519937 263111062 /nfs/dbraw/zinc/11/10/62/263111062.db2.gz NYHYWLGXLCCJJU-OLZOCXBDSA-N 0 3 251.395 3.772 20 30 CHEDHN C=CCC[C@H](N[C@H]1CCCSC1)c1ccco1 ZINC000353519939 263111102 /nfs/dbraw/zinc/11/11/02/263111102.db2.gz NYHYWLGXLCCJJU-STQMWFEESA-N 0 3 251.395 3.772 20 30 CHEDHN N#CCCOCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000292868974 263135939 /nfs/dbraw/zinc/13/59/39/263135939.db2.gz SDDDQYLAQLQKRO-SFHVURJKSA-N 0 3 297.402 3.625 20 30 CHEDHN Cc1ccccc1C(C)(C)NCc1ccc(OCC#N)cc1 ZINC000293106979 263137883 /nfs/dbraw/zinc/13/78/83/263137883.db2.gz YECJBUWHUGLNNE-UHFFFAOYSA-N 0 3 294.398 3.922 20 30 CHEDHN CN(Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000293347753 263139458 /nfs/dbraw/zinc/13/94/58/263139458.db2.gz DLVVMSIZGHISFB-FZMZJTMJSA-N 0 3 282.309 3.829 20 30 CHEDHN C[C@H](CCC#N)N(C)Cc1cccc(Br)c1 ZINC000298054006 263214554 /nfs/dbraw/zinc/21/45/54/263214554.db2.gz ICRAPBGYYZULDC-LLVKDONJSA-N 0 3 281.197 3.573 20 30 CHEDHN C[C@H](CCC#N)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000298605473 263222991 /nfs/dbraw/zinc/22/29/91/263222991.db2.gz SRBHQXZNDINMKW-ONERCXAPSA-N 0 3 296.773 3.591 20 30 CHEDHN C[C@@H](CCC#N)N(C)CCc1ccc(Cl)cc1 ZINC000299447286 263242421 /nfs/dbraw/zinc/24/24/21/263242421.db2.gz YTKQSHAPCIPRDP-LBPRGKRZSA-N 0 3 250.773 3.507 20 30 CHEDHN C=CCC[C@@H](CO)N[C@H](C)c1sc(C(C)C)nc1C ZINC000453360725 263251032 /nfs/dbraw/zinc/25/10/32/263251032.db2.gz PQBLIYAYVPRFQO-YPMHNXCESA-N 0 3 282.453 3.553 20 30 CHEDHN C[C@H](CCC#N)N[C@@H](C)c1ccccc1OC(F)F ZINC000299696321 263252097 /nfs/dbraw/zinc/25/20/97/263252097.db2.gz OKRPTLPPHHLCRM-MNOVXSKESA-N 0 3 268.307 3.631 20 30 CHEDHN C=CC[C@H](CO)CN[C@@H](CC)c1ccccc1OC(F)F ZINC000341879446 263362514 /nfs/dbraw/zinc/36/25/14/263362514.db2.gz UVWIGYMFVNHNFV-JSGCOSHPSA-N 0 3 299.361 3.513 20 30 CHEDHN C[C@@H]1Cc2ccccc2[C@H]1NCc1cc(C#N)cs1 ZINC000334261648 263540486 /nfs/dbraw/zinc/54/04/86/263540486.db2.gz YDRHYZNNWVHDON-BZNIZROVSA-N 0 3 268.385 3.643 20 30 CHEDHN C=CCC[C@H](CC)NCC(=O)Nc1ccc(C)cc1Cl ZINC000425371350 264202231 /nfs/dbraw/zinc/20/22/31/264202231.db2.gz QARPUCRHPUWMCO-ZDUSSCGKSA-N 0 3 294.826 3.921 20 30 CHEDHN N#Cc1ccc(CNC23CCC(C(F)(F)F)(CC2)CC3)o1 ZINC000425987964 264259477 /nfs/dbraw/zinc/25/94/77/264259477.db2.gz LTEOJPZCTXMUQD-UHFFFAOYSA-N 0 3 298.308 3.896 20 30 CHEDHN N#CCCN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000426003178 264300185 /nfs/dbraw/zinc/30/01/85/264300185.db2.gz REYNAPHRILOYMK-UONOGXRCSA-N 0 3 282.309 3.845 20 30 CHEDHN CSCc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000189474070 264302205 /nfs/dbraw/zinc/30/22/05/264302205.db2.gz UFCYCUYSDSJFPG-UHFFFAOYSA-N 0 3 288.441 3.773 20 30 CHEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1cccc(Cl)c1 ZINC000189581541 264309805 /nfs/dbraw/zinc/30/98/05/264309805.db2.gz BWYOYLVHHQNLFP-INIZCTEOSA-N 0 3 287.794 3.791 20 30 CHEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(Cl)c1 ZINC000189581564 264309886 /nfs/dbraw/zinc/30/98/86/264309886.db2.gz BWYOYLVHHQNLFP-MRXNPFEDSA-N 0 3 287.794 3.791 20 30 CHEDHN CC(C)Oc1cccc([C@@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000189583618 264309959 /nfs/dbraw/zinc/30/99/59/264309959.db2.gz PNBNXBMAUAYYQI-CQSZACIVSA-N 0 3 297.402 3.535 20 30 CHEDHN CC(C)C[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000189584101 264310197 /nfs/dbraw/zinc/31/01/97/264310197.db2.gz OSUORAOHWSYEAX-GOSISDBHSA-N 0 3 281.403 3.774 20 30 CHEDHN CCC[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000189584455 264311241 /nfs/dbraw/zinc/31/12/41/264311241.db2.gz MCZREIZMTIWVLM-KRWDZBQOSA-N 0 3 267.376 3.528 20 30 CHEDHN C=CCC[C@@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1ccccc1 ZINC000192159917 264561224 /nfs/dbraw/zinc/56/12/24/264561224.db2.gz PCJRKLSWZWSPEW-IAGOWNOFSA-N 0 3 299.414 3.769 20 30 CHEDHN C=C(C)CN1CCC(Nc2ccnc(C(F)(F)F)c2)CC1 ZINC000286666301 264603032 /nfs/dbraw/zinc/60/30/32/264603032.db2.gz FGUYTEPJVDXXBL-UHFFFAOYSA-N 0 3 299.340 3.553 20 30 CHEDHN C#Cc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000289164775 264707575 /nfs/dbraw/zinc/70/75/75/264707575.db2.gz DWCWEZRODNXQEX-SFHVURJKSA-N 0 3 277.367 3.671 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000358358402 266457321 /nfs/dbraw/zinc/45/73/21/266457321.db2.gz SDBWQZZYZCTDSU-INIZCTEOSA-N 0 3 296.414 3.992 20 30 CHEDHN C=CCCCCCN(C)C(=O)c1ccccc1CN(C)C ZINC000362819965 267051415 /nfs/dbraw/zinc/05/14/15/267051415.db2.gz IYXYRBBIKMKRDB-UHFFFAOYSA-N 0 3 288.435 3.567 20 30 CHEDHN Cc1ccccc1[C@H]1C[C@H](NCc2ccc(C#N)s2)C1 ZINC000369587383 267252774 /nfs/dbraw/zinc/25/27/74/267252774.db2.gz JLCMSKPYMNSNDD-HDJSIYSDSA-N 0 3 282.412 3.964 20 30 CHEDHN C=CCCCN1CCC(C(=O)c2cccs2)CC1 ZINC000370073383 267289420 /nfs/dbraw/zinc/28/94/20/267289420.db2.gz FLDQAVOFVCCVKL-UHFFFAOYSA-N 0 3 263.406 3.609 20 30 CHEDHN C[C@H](Cc1coc2ccccc12)NCC1(C#N)CCC1 ZINC000418144994 267366141 /nfs/dbraw/zinc/36/61/41/267366141.db2.gz WGSVNPMHUIQHJC-CYBMUJFWSA-N 0 3 268.360 3.647 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccccn2)CC1 ZINC000371320161 267388976 /nfs/dbraw/zinc/38/89/76/267388976.db2.gz ZQKLAUQUQNEQHY-HNNXBMFYSA-N 0 3 291.398 3.894 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCCOc3ccccc32)C1 ZINC000185809450 327845786 /nfs/dbraw/zinc/84/57/86/327845786.db2.gz PUXSIKXMMQYGPA-LZWOXQAQSA-N 0 3 270.376 3.572 20 30 CHEDHN C=CCOCCN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000388537656 327885860 /nfs/dbraw/zinc/88/58/60/327885860.db2.gz MQTGHBISZMIJOU-AWEZNQCLSA-N 0 3 261.409 3.837 20 30 CHEDHN C=C(CNCc1cccc(OCC)c1)c1ccccc1 ZINC000110057537 328031250 /nfs/dbraw/zinc/03/12/50/328031250.db2.gz FISCBAANNLCFJY-UHFFFAOYSA-N 0 3 267.372 3.888 20 30 CHEDHN CCCN(Cc1ccc(C#N)o1)Cc1ccc(C)cc1 ZINC000534332947 328045248 /nfs/dbraw/zinc/04/52/48/328045248.db2.gz UTVLKZBGJUNFOO-UHFFFAOYSA-N 0 3 268.360 3.872 20 30 CHEDHN CC1(C)CC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000310302880 328074127 /nfs/dbraw/zinc/07/41/27/328074127.db2.gz QTNVQMKEUSRRSC-ZDUSSCGKSA-N 0 3 293.208 3.599 20 30 CHEDHN Cc1ccc(CN2CCC(CC#N)CC2)cc1Cl ZINC000563592741 328075467 /nfs/dbraw/zinc/07/54/67/328075467.db2.gz NAYUGBZGSTUNQX-UHFFFAOYSA-N 0 3 262.784 3.774 20 30 CHEDHN Cc1ccc(C)c(N2CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000164637273 328132408 /nfs/dbraw/zinc/13/24/08/328132408.db2.gz SOKZJNDFSZPUAQ-UHFFFAOYSA-N 0 3 299.462 3.755 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1cc(Br)cs1 ZINC000226397166 328167346 /nfs/dbraw/zinc/16/73/46/328167346.db2.gz NVZAZFLRHVQOGA-JGVFFNPUSA-N 0 3 260.200 3.736 20 30 CHEDHN C=C(Cl)CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000271547871 328196716 /nfs/dbraw/zinc/19/67/16/328196716.db2.gz VEFDWTMNOHULQB-UHFFFAOYSA-N 0 3 274.795 3.733 20 30 CHEDHN C[C@H](C#N)CN(C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437596528 328209354 /nfs/dbraw/zinc/20/93/54/328209354.db2.gz YXQUSVHONXGTNS-HYVNUMGLSA-N 0 3 256.393 3.588 20 30 CHEDHN C[C@@H]1C[C@@H]1c1ccc(CNCC2CCC(C#N)CC2)o1 ZINC000282410542 328242314 /nfs/dbraw/zinc/24/23/14/328242314.db2.gz QFOWDRDXGSKLGS-WOICTCIZSA-N 0 3 272.392 3.823 20 30 CHEDHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cccc(C#N)c1 ZINC000224399264 329243349 /nfs/dbraw/zinc/24/33/49/329243349.db2.gz SUMWSWMTGMJKIL-VHSXEESVSA-N 0 3 256.271 3.550 20 30 CHEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cnn(C)c1 ZINC000340430916 328276650 /nfs/dbraw/zinc/27/66/50/328276650.db2.gz AHJXASMVCQSYSS-PBHICJAKSA-N 0 3 282.391 3.506 20 30 CHEDHN CC[C@H](N[C@@H](C)c1cnn(CC)c1)c1ccc(C#N)cc1 ZINC000295896265 328287792 /nfs/dbraw/zinc/28/77/92/328287792.db2.gz IEIOLVZZHDUHPL-GUYCJALGSA-N 0 3 282.391 3.577 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000187668486 328301301 /nfs/dbraw/zinc/30/13/01/328301301.db2.gz LDGPGDIHIYBXLW-KXBFYZLASA-N 0 3 291.398 3.806 20 30 CHEDHN Cc1cc(NCC(C)(C)CCC#N)c2ccccc2n1 ZINC000340886948 328402079 /nfs/dbraw/zinc/40/20/79/328402079.db2.gz DAGCQQVZVOQZOU-UHFFFAOYSA-N 0 3 267.376 3.707 20 30 CHEDHN C=CCOc1ccccc1CNCCOC1CCCCC1 ZINC000070168142 328446211 /nfs/dbraw/zinc/44/62/11/328446211.db2.gz KHKQMXMEZQAFFS-UHFFFAOYSA-N 0 3 289.419 3.690 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@@H]1CCCCC12CCCC2 ZINC000564868666 327038619 /nfs/dbraw/zinc/03/86/19/327038619.db2.gz HSIHFWGQQIIEJU-HUUCEWRRSA-N 0 3 259.397 3.523 20 30 CHEDHN C=CCOc1ccccc1CN1CCC(CCC#N)CC1 ZINC000584114085 327040749 /nfs/dbraw/zinc/04/07/49/327040749.db2.gz BCWBWEUJJHOJKP-UHFFFAOYSA-N 0 3 284.403 3.767 20 30 CHEDHN COc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000090339738 327094366 /nfs/dbraw/zinc/09/43/66/327094366.db2.gz PUXZUOUMTHLLAY-ZIAGYGMSSA-N 0 3 280.371 3.979 20 30 CHEDHN C[C@@H](NCc1nc(C#N)cs1)[C@H](C)C1CCCCC1 ZINC000558486140 327097732 /nfs/dbraw/zinc/09/77/32/327097732.db2.gz RRHIJZIDBHANCQ-NWDGAFQWSA-N 0 3 277.437 3.709 20 30 CHEDHN C=CCN(CCc1ccco1)C[C@H]1CCC2(CCCC2)O1 ZINC000558723695 327117419 /nfs/dbraw/zinc/11/74/19/327117419.db2.gz ZCKQZXSQYCCQSB-QGZVFWFLSA-N 0 3 289.419 3.802 20 30 CHEDHN C=C(CC)CNCc1ccc(Cl)c2cccnc12 ZINC000313480125 327133264 /nfs/dbraw/zinc/13/32/64/327133264.db2.gz IDUUFYBBRDZZFB-UHFFFAOYSA-N 0 3 260.768 3.944 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](CC3CC3)C2)c(Cl)c1 ZINC000559416694 327244092 /nfs/dbraw/zinc/24/40/92/327244092.db2.gz RZCBSJDMXIKBMN-CQSZACIVSA-N 0 3 274.795 3.834 20 30 CHEDHN N#Cc1ccc(CNCCCCc2ccc(Cl)s2)o1 ZINC000560077755 327282584 /nfs/dbraw/zinc/28/25/84/327282584.db2.gz ZCBVZCGPVIZHEJ-UHFFFAOYSA-N 0 3 294.807 3.979 20 30 CHEDHN C=CCC[C@H](NC[C@@H](CO)Cc1ccccc1)c1ccco1 ZINC000560527839 327318813 /nfs/dbraw/zinc/31/88/13/327318813.db2.gz FUVQYJMRSZUCAM-ROUUACIJSA-N 0 3 299.414 3.728 20 30 CHEDHN C[C@@H](NCc1cccc(C#N)c1)c1cc2c(s1)CCC2 ZINC000151383701 327468240 /nfs/dbraw/zinc/46/82/40/327468240.db2.gz KJDNQHJFHVWPBX-GFCCVEGCSA-N 0 3 282.412 3.959 20 30 CHEDHN CC(C)(C)C1CCC(CNC[C@H](C#N)CCC#N)CC1 ZINC000563952704 328841269 /nfs/dbraw/zinc/84/12/69/328841269.db2.gz QOJGGNPJXABNQV-PCKAHOCUSA-N 0 3 275.440 3.872 20 30 CHEDHN C[C@@H](NCC1(C2CC2)CC1)c1ccc(C#N)cc1F ZINC000358577757 328887407 /nfs/dbraw/zinc/88/74/07/328887407.db2.gz VAHFKBFIXJRNKL-LLVKDONJSA-N 0 3 258.340 3.538 20 30 CHEDHN C#CCCN1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000378307035 329045514 /nfs/dbraw/zinc/04/55/14/329045514.db2.gz BIHXAFKAFJOURG-UHFFFAOYSA-N 0 3 276.449 3.643 20 30 CHEDHN Cc1ccc(CNCc2cccc(C#N)c2)cc1Cl ZINC000193733677 329061599 /nfs/dbraw/zinc/06/15/99/329061599.db2.gz MCQYGAFLDULAGW-UHFFFAOYSA-N 0 3 270.763 3.810 20 30 CHEDHN C=CCSCCN[C@H](CC)c1ccccc1F ZINC000226616174 329262331 /nfs/dbraw/zinc/26/23/31/329262331.db2.gz LPJUXZUHFVTGPN-CQSZACIVSA-N 0 3 253.386 3.786 20 30 CHEDHN Cc1cc(F)c(CN[C@H]2CC[C@@H](CC#N)C2)c(Cl)c1 ZINC000459591067 329340362 /nfs/dbraw/zinc/34/03/62/329340362.db2.gz ZOMQLEHXBQADKV-RYUDHWBXSA-N 0 3 280.774 3.960 20 30 CHEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000459774164 329390140 /nfs/dbraw/zinc/39/01/40/329390140.db2.gz VUANYKDTOVRYKL-ZIAGYGMSSA-N 0 3 292.448 3.692 20 30 CHEDHN CC(C)(C)N(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000583240319 329391768 /nfs/dbraw/zinc/39/17/68/329391768.db2.gz XKSHLDJXFAAMJM-UHFFFAOYSA-N 0 3 279.387 3.754 20 30 CHEDHN C=CCCC[C@H](C)NCc1nccn1-c1ccccc1 ZINC000191561936 329417650 /nfs/dbraw/zinc/41/76/50/329417650.db2.gz GNRYOQPGYGJVQH-HNNXBMFYSA-N 0 3 269.392 3.707 20 30 CHEDHN N#CCCC1CCN(CCSc2ccccc2)CC1 ZINC000399357691 329451623 /nfs/dbraw/zinc/45/16/23/329451623.db2.gz DYJXITNVFCGMKF-UHFFFAOYSA-N 0 3 274.433 3.794 20 30 CHEDHN CC(C)(C#N)CCN[C@H](CC(F)F)c1ccccc1 ZINC000421002976 329797553 /nfs/dbraw/zinc/79/75/53/329797553.db2.gz YLYNEDSOMMCANW-CYBMUJFWSA-N 0 3 266.335 3.912 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCSc3ccccc32)C1 ZINC000248835546 329900463 /nfs/dbraw/zinc/90/04/63/329900463.db2.gz NACJMVGYJKKVHQ-UMVBOHGHSA-N 0 3 272.417 3.895 20 30 CHEDHN C=C1CCN(CCCC(=O)Nc2c(C)cccc2C)CC1 ZINC000268898464 330066712 /nfs/dbraw/zinc/06/67/12/330066712.db2.gz LBWKJPNYUVEMPY-UHFFFAOYSA-N 0 3 286.419 3.674 20 30 CHEDHN C#CC[C@@H](NCc1cc(C)c(C)cc1O)c1ccccc1 ZINC000270167273 330073533 /nfs/dbraw/zinc/07/35/33/330073533.db2.gz GYUALOSBMRMYIV-GOSISDBHSA-N 0 3 279.383 3.863 20 30 CHEDHN C#CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1[O-])c1ccccc1 ZINC000270167273 330073534 /nfs/dbraw/zinc/07/35/34/330073534.db2.gz GYUALOSBMRMYIV-GOSISDBHSA-N 0 3 279.383 3.863 20 30 CHEDHN C#CCCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000271035965 330077747 /nfs/dbraw/zinc/07/77/47/330077747.db2.gz LWVNPLFBCNGXAS-UHFFFAOYSA-N 0 3 289.806 3.648 20 30 CHEDHN C#CC[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000271524840 330081364 /nfs/dbraw/zinc/08/13/64/330081364.db2.gz OXNWUKHRIDVWTP-RHSMWYFYSA-N 0 3 293.366 3.831 20 30 CHEDHN C#CC[C@@H](N[C@@H](C)c1cccc(CO)c1)c1ccccc1 ZINC000271874345 330082510 /nfs/dbraw/zinc/08/25/10/330082510.db2.gz HADOGIXJZNBSJF-HNAYVOBHSA-N 0 3 279.383 3.594 20 30 CHEDHN C=CCC[C@H](N[C@H]1CCO[C@@H](CC)C1)c1ccco1 ZINC000421858236 330089914 /nfs/dbraw/zinc/08/99/14/330089914.db2.gz PIZSOZSEFCFYJS-KKUMJFAQSA-N 0 3 263.381 3.834 20 30 CHEDHN COc1ccc([C@H](NCC(C)(C)CC#N)C2CC2)c(F)c1 ZINC000421863245 330098610 /nfs/dbraw/zinc/09/86/10/330098610.db2.gz XDIXZZMTJALGTA-MRXNPFEDSA-N 0 3 290.382 3.815 20 30 CHEDHN C=CCC(C)(C)CN[C@H](C)c1ccncc1Cl ZINC000421864236 330098849 /nfs/dbraw/zinc/09/88/49/330098849.db2.gz YBMCKFBWABJIBK-LLVKDONJSA-N 0 3 252.789 3.988 20 30 CHEDHN C=CCC[C@@H](NCCc1ccccn1)c1ccco1 ZINC000276475776 330113835 /nfs/dbraw/zinc/11/38/35/330113835.db2.gz QQIWIQSJKJFKJA-OAHLLOKOSA-N 0 3 256.349 3.514 20 30 CHEDHN C=CCC[C@H](NCCc1cn2ccccc2n1)c1ccco1 ZINC000276507398 330114054 /nfs/dbraw/zinc/11/40/54/330114054.db2.gz YRLZSXHZCTUIPE-INIZCTEOSA-N 0 3 295.386 3.767 20 30 CHEDHN C=C(C)CN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278950009 330121153 /nfs/dbraw/zinc/12/11/53/330121153.db2.gz YSISGKARNCDZLR-UHFFFAOYSA-N 0 3 299.336 3.565 20 30 CHEDHN CC[C@@H](C)[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000580460956 330142024 /nfs/dbraw/zinc/14/20/24/330142024.db2.gz WPTDRFYGDHEOQN-RHSMWYFYSA-N 0 3 296.418 3.607 20 30 CHEDHN C=CCC[C@H](NC[C@@H](N)c1ccccc1)c1ccco1 ZINC000423250072 330182531 /nfs/dbraw/zinc/18/25/31/330182531.db2.gz UMPWQXXFQZJRNL-CVEARBPZSA-N 0 3 270.376 3.577 20 30 CHEDHN CC(C)C[C@H]1CCCN1Cc1cc(F)ccc1C#N ZINC000396769488 330226059 /nfs/dbraw/zinc/22/60/59/330226059.db2.gz CUCUGFVFTRQRHI-MRXNPFEDSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(C)COCCN[C@@H]1C[C@H](C)c2c1cccc2C ZINC000536843691 330245977 /nfs/dbraw/zinc/24/59/77/330245977.db2.gz FLHQCXQDHUZJOJ-GOEBONIOSA-N 0 3 259.393 3.726 20 30 CHEDHN N#Cc1ccc(CNCC[C@H]2CC=CCC2)c(F)c1 ZINC000527791303 330283474 /nfs/dbraw/zinc/28/34/74/330283474.db2.gz SXLDGELZEFFHFQ-ZDUSSCGKSA-N 0 3 258.340 3.533 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccc(OC)cc1Cl ZINC000424306465 330338148 /nfs/dbraw/zinc/33/81/48/330338148.db2.gz VJUSLFHCBFUQQE-LBPRGKRZSA-N 0 3 283.799 3.592 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2ccccc2n1 ZINC000424315563 330339223 /nfs/dbraw/zinc/33/92/23/330339223.db2.gz AEFZJDDQQOKNKN-VNHYZAJKSA-N 0 3 265.360 3.578 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000424320674 330340157 /nfs/dbraw/zinc/34/01/57/330340157.db2.gz GEFRIRDZDZEUOK-QEORTHHSSA-N 0 3 299.374 3.644 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC(F)F)c1 ZINC000424322818 330340428 /nfs/dbraw/zinc/34/04/28/330340428.db2.gz IPMYRTQTAADYRU-NTZNESFSSA-N 0 3 280.318 3.631 20 30 CHEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000424326595 330341306 /nfs/dbraw/zinc/34/13/06/330341306.db2.gz MEEMUUYYKZHAON-ZHRONYKTSA-N 0 3 272.367 3.731 20 30 CHEDHN CC1(C)C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2cc([N+](=O)[O-])ccc21 ZINC000424326491 330341338 /nfs/dbraw/zinc/34/13/38/330341338.db2.gz LVTSKIKKGZCVOP-HWWQOWPSSA-N 0 3 299.374 3.599 20 30 CHEDHN COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424330409 330342128 /nfs/dbraw/zinc/34/21/28/330342128.db2.gz QMZQRBJZEZSIQG-NTZNESFSSA-N 0 3 278.783 3.691 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC000533309344 330357011 /nfs/dbraw/zinc/35/70/11/330357011.db2.gz LENSEEYCOHWFCZ-IJEWVQPXSA-N 0 3 272.367 3.756 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000119350214 330372486 /nfs/dbraw/zinc/37/24/86/330372486.db2.gz CJUAOXGNQVEVNK-NXEZZACHSA-N 0 3 252.427 3.974 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000119366618 330373579 /nfs/dbraw/zinc/37/35/79/330373579.db2.gz HSVHYGDPDIRDBG-UWVGGRQHSA-N 0 3 259.271 3.810 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000120552743 330389402 /nfs/dbraw/zinc/38/94/02/330389402.db2.gz XVGNPEQGICIZRZ-GOSISDBHSA-N 0 3 289.419 3.642 20 30 CHEDHN C=C(C)COCCN[C@@H](CC)c1ccccc1OC(F)F ZINC000090450741 330392464 /nfs/dbraw/zinc/39/24/64/330392464.db2.gz MMYOPVPTHAIYKU-AWEZNQCLSA-N 0 3 299.361 3.921 20 30 CHEDHN C=CCCOCCN[C@H](CC)c1cc(C)ccc1OC ZINC000090883658 330396641 /nfs/dbraw/zinc/39/66/41/330396641.db2.gz ZHZPOLNWMQAAGE-MRXNPFEDSA-N 0 3 277.408 3.637 20 30 CHEDHN CCc1cc(NCC(C)(C)CCC#N)c2ccccc2n1 ZINC000514751015 330464256 /nfs/dbraw/zinc/46/42/56/330464256.db2.gz APEUTBZJKUORGU-UHFFFAOYSA-N 0 3 281.403 3.961 20 30 CHEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCC1(CC#N)CC1 ZINC000430738988 330572043 /nfs/dbraw/zinc/57/20/43/330572043.db2.gz CAJKWACLZVYDOC-MLGOLLRUSA-N 0 3 272.367 3.733 20 30 CHEDHN CC[C@H](NCC1(CC#N)CC1)c1cc(C)ccc1OC ZINC000430744063 330572375 /nfs/dbraw/zinc/57/23/75/330572375.db2.gz TYYZFUYBRRLKKY-HNNXBMFYSA-N 0 3 272.392 3.738 20 30 CHEDHN C=C(C)[C@@H](NCC[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000437985942 330712860 /nfs/dbraw/zinc/71/28/60/330712860.db2.gz LESGADCIXPCOQG-BLLLJJGKSA-N 0 3 281.346 3.598 20 30 CHEDHN COc1cc(CNCc2cccc(C(C)C)c2)ccc1C#N ZINC000440621419 330752701 /nfs/dbraw/zinc/75/27/01/330752701.db2.gz CVTYNKVMMARKCL-UHFFFAOYSA-N 0 3 294.398 3.980 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OCC2CC2)CC1 ZINC000442680393 330779143 /nfs/dbraw/zinc/77/91/43/330779143.db2.gz QSNMYXHFOGKILK-CQSZACIVSA-N 0 3 284.403 3.510 20 30 CHEDHN CC[C@H](NCCOCc1ccccc1)c1ccc(C#N)cc1 ZINC000447528786 330867933 /nfs/dbraw/zinc/86/79/33/330867933.db2.gz IMCXMCLNQAWJQU-IBGZPJMESA-N 0 3 294.398 3.816 20 30 CHEDHN CN(C)Cc1cccc(NC2CCC(C)(C#N)CC2)c1 ZINC000449041724 330894682 /nfs/dbraw/zinc/89/46/82/330894682.db2.gz OFIBINTYVCBARF-UHFFFAOYSA-N 0 3 271.408 3.633 20 30 CHEDHN Cc1ccc(NC2CCC(C)(C#N)CC2)c(CN(C)C)c1 ZINC000449054689 330895662 /nfs/dbraw/zinc/89/56/62/330895662.db2.gz QWJHQEZLJBADCY-UHFFFAOYSA-N 0 3 285.435 3.941 20 30 CHEDHN C=CCCCC[C@H](C)NCC(=O)Nc1c(C)cccc1C ZINC000449222346 330907174 /nfs/dbraw/zinc/90/71/74/330907174.db2.gz WHAGBUQRXBAWLQ-INIZCTEOSA-N 0 3 288.435 3.966 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCc3c(F)cccc32)C1 ZINC000449351724 330917602 /nfs/dbraw/zinc/91/76/02/330917602.db2.gz QYURASZBWZAAKE-PBFPGSCMSA-N 0 3 272.367 3.875 20 30 CHEDHN N#Cc1csc(CNC[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000449401408 330922633 /nfs/dbraw/zinc/92/26/33/330922633.db2.gz MUCKMIUTJKTVMF-GDBMZVCRSA-N 0 3 297.427 3.688 20 30 CHEDHN C=CCCCCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451289140 331023359 /nfs/dbraw/zinc/02/33/59/331023359.db2.gz WRRGKSSCLJQITF-MSOLQXFVSA-N 0 3 291.410 3.533 20 30 CHEDHN C=CCCC[C@H](C)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451882063 331046031 /nfs/dbraw/zinc/04/60/31/331046031.db2.gz QQKCDBRTSLIULL-KBPBESRZSA-N 0 3 292.389 3.547 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cc2c(s1)CCCC2 ZINC000163522070 331051345 /nfs/dbraw/zinc/05/13/45/331051345.db2.gz UCCPQFRVKOJICD-ZDUSSCGKSA-N 0 3 279.449 3.870 20 30 CHEDHN C=CCC[C@@H](NCC1(OC)CCCC1)c1ccco1 ZINC000453218008 331102653 /nfs/dbraw/zinc/10/26/53/331102653.db2.gz FZFNQNRCABLWQC-CQSZACIVSA-N 0 3 263.381 3.836 20 30 CHEDHN C=C(C)CCN[C@@H](COC)c1cccc(Cl)c1F ZINC000453316301 331115541 /nfs/dbraw/zinc/11/55/41/331115541.db2.gz KAOSACGJLZNLRW-ZDUSSCGKSA-N 0 3 271.763 3.722 20 30 CHEDHN C=C(CC)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453349002 331120442 /nfs/dbraw/zinc/12/04/42/331120442.db2.gz HBSBDRJJWOLPLV-HNNXBMFYSA-N 0 3 260.337 3.528 20 30 CHEDHN C=C(CC)CN[C@H]1CCSc2ccc(F)cc21 ZINC000453373326 331124478 /nfs/dbraw/zinc/12/44/78/331124478.db2.gz SLWSQLPESCRNDG-ZDUSSCGKSA-N 0 3 251.370 3.918 20 30 CHEDHN COCC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000453373897 331124480 /nfs/dbraw/zinc/12/44/80/331124480.db2.gz HGMFRJQGWKZDMM-ZDUSSCGKSA-N 0 3 290.382 3.555 20 30 CHEDHN CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000453374218 331124539 /nfs/dbraw/zinc/12/45/39/331124539.db2.gz XDXRZCXEVBWACD-WHOFXGATSA-N 0 3 260.356 3.640 20 30 CHEDHN CCn1cc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000453376891 331124895 /nfs/dbraw/zinc/12/48/95/331124895.db2.gz PLIPNILQLZDCJT-ACJLOTCBSA-N 0 3 294.402 3.503 20 30 CHEDHN CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1cccnc1 ZINC000453376423 331124995 /nfs/dbraw/zinc/12/49/95/331124995.db2.gz IFNTWFMKWSKBRN-QGZVFWFLSA-N 0 3 283.350 3.579 20 30 CHEDHN C=C(C)CNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459499424 331285037 /nfs/dbraw/zinc/28/50/37/331285037.db2.gz ARIOLVTXAKQVSO-UHFFFAOYSA-N 0 3 296.418 3.726 20 30 CHEDHN C=CCCCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459532864 331286376 /nfs/dbraw/zinc/28/63/76/331286376.db2.gz OFBVEWUROVVUBA-UHFFFAOYSA-N 0 3 283.799 3.890 20 30 CHEDHN C=CCC[C@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000459628118 331291041 /nfs/dbraw/zinc/29/10/41/331291041.db2.gz CORNVZJOLUSNGI-QWRGUYRKSA-N 0 3 250.411 3.637 20 30 CHEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000459727209 331296186 /nfs/dbraw/zinc/29/61/86/331296186.db2.gz FXPLLMZAVVSNFG-CQSZACIVSA-N 0 3 296.418 3.771 20 30 CHEDHN CC(C)(CC#N)CNC/C=C\c1ccc(F)cc1F ZINC000459728928 331296275 /nfs/dbraw/zinc/29/62/75/331296275.db2.gz JOSXFEQUFSVONJ-ARJAWSKDSA-N 0 3 264.319 3.507 20 30 CHEDHN CC(C)(CC#N)CNCc1cccc(-c2ccncc2)c1 ZINC000459736975 331296964 /nfs/dbraw/zinc/29/69/64/331296964.db2.gz VJKLTHGFBVFTTR-UHFFFAOYSA-N 0 3 279.387 3.778 20 30 CHEDHN C[C@H](Cc1cccc(F)c1)N(C)Cc1ccc(C#N)s1 ZINC000459746222 331297959 /nfs/dbraw/zinc/29/79/59/331297959.db2.gz IRBRCWSBWHQCJO-GFCCVEGCSA-N 0 3 288.391 3.822 20 30 CHEDHN C[C@@H](Cc1cccc(F)c1)N(C)CCC(C)(C)C#N ZINC000459773924 331300161 /nfs/dbraw/zinc/30/01/61/331300161.db2.gz VLTNIYUHUGDRTC-ZDUSSCGKSA-N 0 3 262.372 3.628 20 30 CHEDHN C=CCC[C@H](CC)N[C@H](COC)c1ccc(CC)o1 ZINC000462114144 331317310 /nfs/dbraw/zinc/31/73/10/331317310.db2.gz ZNDACFLNJDCPDC-DZGCQCFKSA-N 0 3 265.397 3.864 20 30 CHEDHN C=CCN(CCCC1CCOCC1)Cc1cccc(C#N)c1 ZINC000463296856 331345723 /nfs/dbraw/zinc/34/57/23/331345723.db2.gz XGRFHXOGDXBVFB-UHFFFAOYSA-N 0 3 298.430 3.753 20 30 CHEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000464582669 331363191 /nfs/dbraw/zinc/36/31/91/331363191.db2.gz WYSUYKGIBIDTGY-UHFFFAOYSA-N 0 3 281.321 3.789 20 30 CHEDHN CCOc1ccccc1[C@@H](C)NCCc1cccc(C#N)c1 ZINC000467449124 331419915 /nfs/dbraw/zinc/41/99/15/331419915.db2.gz NVKXVEQCESLUKF-OAHLLOKOSA-N 0 3 294.398 3.850 20 30 CHEDHN CC[C@H](C)[C@@H](C)NCc1ccc(Cl)cc1C#N ZINC000480901088 331790976 /nfs/dbraw/zinc/79/09/76/331790976.db2.gz RTIXTCXEXNZJMM-WDEREUQCSA-N 0 3 250.773 3.736 20 30 CHEDHN CC1(C)CCCC[C@H]1NCc1ccc(F)cc1C#N ZINC000481187539 331800602 /nfs/dbraw/zinc/80/06/02/331800602.db2.gz ZUWJLQUWSMZNGD-OAHLLOKOSA-N 0 3 260.356 3.756 20 30 CHEDHN C[C@H](NCC#Cc1ccccc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000483694038 331882016 /nfs/dbraw/zinc/88/20/16/331882016.db2.gz QNOOJADXJXWSCL-FTRWYGJKSA-N 0 3 291.394 3.581 20 30 CHEDHN C=C(C)[C@H](NC[C@H]1C[C@H]1C)c1ccc(F)c(F)c1 ZINC000488561022 332017634 /nfs/dbraw/zinc/01/76/34/332017634.db2.gz PZQSGOHMOZGQTA-HCKVZZMMSA-N 0 3 251.320 3.828 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cccc2cccnc21 ZINC000489400127 332050271 /nfs/dbraw/zinc/05/02/71/332050271.db2.gz JIBLXMWMGFFFJY-MRXNPFEDSA-N 0 3 252.361 3.775 20 30 CHEDHN CN(CC#Cc1ccccc1Cl)C1(C)CCCC1 ZINC000489835805 332069500 /nfs/dbraw/zinc/06/95/00/332069500.db2.gz CHKXCOKCBJYMSU-UHFFFAOYSA-N 0 3 261.796 3.956 20 30 CHEDHN C=C(CN[C@@H](CC)c1ccc(F)cn1)c1ccccc1 ZINC000490144889 332082750 /nfs/dbraw/zinc/08/27/50/332082750.db2.gz QZMWAPAAVJIHHD-INIZCTEOSA-N 0 3 270.351 3.975 20 30 CHEDHN C=CC[C@@H](CC)N[C@@H]1CCc2c1c(F)ccc2F ZINC000500813734 332618763 /nfs/dbraw/zinc/61/87/63/332618763.db2.gz IIFJMWYXSHLYMX-QMTHXVAHSA-N 0 3 251.320 3.896 20 30 CHEDHN CCCCOCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512658889 332978303 /nfs/dbraw/zinc/97/83/03/332978303.db2.gz ASUZJIPBHHSJAF-ZDUSSCGKSA-N 0 3 278.371 3.555 20 30 CHEDHN C[C@@H](CCc1ccco1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512659556 332978370 /nfs/dbraw/zinc/97/83/70/332978370.db2.gz HXKMVHFTIFGUND-STQMWFEESA-N 0 3 286.350 3.962 20 30 CHEDHN Cc1ccccc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512659600 332978378 /nfs/dbraw/zinc/97/83/78/332978378.db2.gz IKZOIFPYXYSMDN-CQSZACIVSA-N 0 3 282.362 3.899 20 30 CHEDHN N#Cc1ccc(CNCc2ccc(C3CC3)cc2)cc1F ZINC000404760539 333025702 /nfs/dbraw/zinc/02/57/02/333025702.db2.gz NNLAKAWWTAZRRE-UHFFFAOYSA-N 0 3 280.346 3.865 20 30 CHEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000176801512 333047659 /nfs/dbraw/zinc/04/76/59/333047659.db2.gz JRSAHURDUCPKCR-GOSISDBHSA-N 0 3 280.346 3.817 20 30 CHEDHN C=CCOCCN[C@H](C)c1ccc2ccccc2c1 ZINC000311641378 333070789 /nfs/dbraw/zinc/07/07/89/333070789.db2.gz PTZLZTRYXFVICK-CQSZACIVSA-N 0 3 255.361 3.693 20 30 CHEDHN C[C@H]1CCCC[C@H]1N(C)Cc1cccc(C#N)c1F ZINC000218075322 333126680 /nfs/dbraw/zinc/12/66/80/333126680.db2.gz IVWQHIDWNLIEND-SWLSCSKDSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OCC2CC2)c1 ZINC000185863345 333150450 /nfs/dbraw/zinc/15/04/50/333150450.db2.gz HIGYDGDLZDZJDQ-AEFFLSMTSA-N 0 3 298.430 3.956 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(OC3CCCCC3)c2)C1 ZINC000521531462 333177093 /nfs/dbraw/zinc/17/70/93/333177093.db2.gz KAWVYBLUADGSHL-GDBMZVCRSA-N 0 3 299.418 3.575 20 30 CHEDHN C=CCCOCCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000223199355 333205563 /nfs/dbraw/zinc/20/55/63/333205563.db2.gz OACOXYPMMWUNHK-INIZCTEOSA-N 0 3 279.811 3.973 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000223627692 333210295 /nfs/dbraw/zinc/21/02/95/333210295.db2.gz PMHNQDQLCOOHRP-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN CCS[C@H]1CC[C@H](N(C)CC#Cc2ccccc2)C1 ZINC000192049130 333228826 /nfs/dbraw/zinc/22/88/26/333228826.db2.gz IMEUOYUWSWALDT-IRXDYDNUSA-N 0 3 273.445 3.644 20 30 CHEDHN CCSCC[C@H](C)N(C)CC#Cc1ccccc1 ZINC000192112678 333229817 /nfs/dbraw/zinc/22/98/17/333229817.db2.gz JBHFEYZDXVNYRW-HNNXBMFYSA-N 0 3 261.434 3.502 20 30 CHEDHN C=CC[C@@H](C)N[C@H](COC)c1ccc(Cl)cc1 ZINC000194102493 333265584 /nfs/dbraw/zinc/26/55/84/333265584.db2.gz MELCFFJZRXCMDE-BXUZGUMPSA-N 0 3 253.773 3.582 20 30 CHEDHN C=CCCCN(C)Cc1cc(Br)ccc1OC ZINC000523011353 333304566 /nfs/dbraw/zinc/30/45/66/333304566.db2.gz NKVSGCUBOBKXQE-UHFFFAOYSA-N 0 3 298.224 3.856 20 30 CHEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000229274293 333302972 /nfs/dbraw/zinc/30/29/72/333302972.db2.gz QXMYEFDFZYLGIU-KRWDZBQOSA-N 0 3 284.403 3.530 20 30 CHEDHN C=CCOc1ccccc1CNC[C@@H](C)c1nccs1 ZINC000230693650 333321022 /nfs/dbraw/zinc/32/10/22/333321022.db2.gz DWDBYCBBFIJFRG-CYBMUJFWSA-N 0 3 288.416 3.601 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC(C(F)(F)F)CC1 ZINC000232527532 333337963 /nfs/dbraw/zinc/33/79/63/333337963.db2.gz VQEGBECMCUNIDQ-UHFFFAOYSA-N 0 3 276.346 3.981 20 30 CHEDHN N#Cc1ccccc1OCCN1CCC[C@]2(CC=CCC2)C1 ZINC000303520280 333343227 /nfs/dbraw/zinc/34/32/27/333343227.db2.gz CWSYOQJRQMGSGL-LJQANCHMSA-N 0 3 296.414 3.759 20 30 CHEDHN COc1cc(CN(C)Cc2ccccc2C)ccc1C#N ZINC000234929474 333363007 /nfs/dbraw/zinc/36/30/07/333363007.db2.gz DOJAXVLPIDQSMF-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN N#CCCCCNCc1ccc(Cl)cc1Cl ZINC000237823249 333381770 /nfs/dbraw/zinc/38/17/70/333381770.db2.gz HIBHRJVWTBPXJP-UHFFFAOYSA-N 0 3 257.164 3.777 20 30 CHEDHN CCCN(Cc1ccccc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000524892970 333392402 /nfs/dbraw/zinc/39/24/02/333392402.db2.gz VJPMJZUJFQUZNS-KURKYZTESA-N 0 3 298.430 3.584 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncccc1Cl ZINC000528546965 333445771 /nfs/dbraw/zinc/44/57/71/333445771.db2.gz WPWDOFPKZHHJHW-JSGCOSHPSA-N 0 3 264.800 3.960 20 30 CHEDHN COc1cccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000037771487 333538375 /nfs/dbraw/zinc/53/83/75/333538375.db2.gz YVRSGFGOESRNLF-KBPBESRZSA-N 0 3 280.371 3.979 20 30 CHEDHN CC(C)(CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000037935076 333543280 /nfs/dbraw/zinc/54/32/80/333543280.db2.gz GTMGIWXGBOAWLK-UHFFFAOYSA-N 0 3 282.362 3.765 20 30 CHEDHN Cc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000539229664 333662390 /nfs/dbraw/zinc/66/23/90/333662390.db2.gz SKKXKJRPCSKQBJ-OAHLLOKOSA-N 0 3 267.347 3.836 20 30 CHEDHN C=CCCCNC1(c2ccc(F)cc2F)CCC1 ZINC000540455464 333730633 /nfs/dbraw/zinc/73/06/33/333730633.db2.gz KHHSFNRQAHWCRG-UHFFFAOYSA-N 0 3 251.320 3.900 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)CC2)nc1 ZINC000576177714 335165753 /nfs/dbraw/zinc/16/57/53/335165753.db2.gz XSTGPGYJVQXTIW-GOSISDBHSA-N 0 3 291.398 3.723 20 30 CHEDHN CC(C)(NCc1ccc(F)c(C#N)c1)c1cccs1 ZINC000544461156 333932550 /nfs/dbraw/zinc/93/25/50/333932550.db2.gz AZXPTLYMLXIGDL-UHFFFAOYSA-N 0 3 274.364 3.784 20 30 CHEDHN C=CCOc1ccccc1CNC[C@@](C)(O)CCC(C)C ZINC000236630509 334060588 /nfs/dbraw/zinc/06/05/88/334060588.db2.gz DQIYOFBXBLPQRY-SFHVURJKSA-N 0 3 291.435 3.528 20 30 CHEDHN C=CC[C@H](CO)NCc1ccc(-c2ccccc2)cc1F ZINC000547406082 334086105 /nfs/dbraw/zinc/08/61/05/334086105.db2.gz RLNCIALJPVDQFG-QGZVFWFLSA-N 0 3 285.362 3.519 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000076737947 334088297 /nfs/dbraw/zinc/08/82/97/334088297.db2.gz KLKWBZVFKBZHBU-CYBMUJFWSA-N 0 3 294.826 3.873 20 30 CHEDHN C[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)C[C@@H](c2ccccc2)C1 ZINC000576220243 335172200 /nfs/dbraw/zinc/17/22/00/335172200.db2.gz IEMGOAOBFLMZAF-CAMMJAKZSA-N 0 3 295.430 3.992 20 30 CHEDHN CSc1ccc(CNCc2ccc(CC#N)cc2)s1 ZINC000564328257 334109457 /nfs/dbraw/zinc/10/94/57/334109457.db2.gz LWJAWZWVCCFBQE-UHFFFAOYSA-N 0 3 288.441 3.826 20 30 CHEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000079054623 334146800 /nfs/dbraw/zinc/14/68/00/334146800.db2.gz AUOUTHGTZCQPCL-CYBMUJFWSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCOCCCN1CCC(c2ccccc2F)CC1 ZINC000548752090 334169467 /nfs/dbraw/zinc/16/94/67/334169467.db2.gz QPCJBQCZTJSOFA-UHFFFAOYSA-N 0 3 277.383 3.598 20 30 CHEDHN CC(C)Oc1ccccc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000549536218 334196703 /nfs/dbraw/zinc/19/67/03/334196703.db2.gz PJLZHLSPQPFJOZ-ZNMIVQPWSA-N 0 3 272.392 3.817 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CCCC2 ZINC000549552546 334197819 /nfs/dbraw/zinc/19/78/19/334197819.db2.gz BCRLIZVCVIXACX-LBTNJELSSA-N 0 3 268.404 3.908 20 30 CHEDHN C=CCOCCNC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000549928740 334209376 /nfs/dbraw/zinc/20/93/76/334209376.db2.gz ZQONAYBLEXXIAW-UHFFFAOYSA-N 0 3 291.435 3.749 20 30 CHEDHN C=CCOCCN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000550068737 334212526 /nfs/dbraw/zinc/21/25/26/334212526.db2.gz ZNSKESDKPUINEE-UHFFFAOYSA-N 0 3 297.801 3.803 20 30 CHEDHN N#CCc1ccc(CN2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000550210606 334215899 /nfs/dbraw/zinc/21/58/99/334215899.db2.gz IHPRIPRJHHPFAI-QGZVFWFLSA-N 0 3 294.373 3.881 20 30 CHEDHN N#Cc1ccc(CN2CCCC[C@H]2Cc2ccccc2)nc1 ZINC000551063610 334237625 /nfs/dbraw/zinc/23/76/25/334237625.db2.gz WTQZLYNIFBWNQT-IBGZPJMESA-N 0 3 291.398 3.550 20 30 CHEDHN C=CCC[C@H](NC[C@@](C)(O)[C@H](C)CC)c1ccco1 ZINC000552043764 334280670 /nfs/dbraw/zinc/28/06/70/334280670.db2.gz BDSDASUEANMPTP-IJEWVQPXSA-N 0 3 265.397 3.674 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CCN(C2CCCC2)C1)c1ccco1 ZINC000552045793 334281148 /nfs/dbraw/zinc/28/11/48/334281148.db2.gz PBWVELAZOVMXBQ-WBVHZDCISA-N 0 3 288.435 3.893 20 30 CHEDHN C=CCC[C@H](N[C@H]1CCN(C2CCCC2)C1)c1ccco1 ZINC000552045792 334281160 /nfs/dbraw/zinc/28/11/60/334281160.db2.gz PBWVELAZOVMXBQ-RDJZCZTQSA-N 0 3 288.435 3.893 20 30 CHEDHN CN(CC(C)(C)C#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000552316442 334316338 /nfs/dbraw/zinc/31/63/38/334316338.db2.gz AXHGGJXFADJRSC-AEFFLSMTSA-N 0 3 270.420 3.978 20 30 CHEDHN CC(C)[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCS1 ZINC000249416302 334333638 /nfs/dbraw/zinc/33/36/38/334333638.db2.gz ZKYLHTKZXXRCKJ-CJNGLKHVSA-N 0 3 274.433 3.693 20 30 CHEDHN CCC[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000552827969 334347032 /nfs/dbraw/zinc/34/70/32/334347032.db2.gz APJRITOWMFRYBZ-CYBMUJFWSA-N 0 3 260.356 3.709 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000552875312 334348838 /nfs/dbraw/zinc/34/88/38/334348838.db2.gz MTOUNIIOUXNRGD-LLVKDONJSA-N 0 3 285.334 3.913 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000554432852 334430206 /nfs/dbraw/zinc/43/02/06/334430206.db2.gz IHGDDLYKMLSBNZ-RDTXWAMCSA-N 0 3 297.377 3.795 20 30 CHEDHN N#Cc1ccc(CNCCc2cc3ccccc3s2)o1 ZINC000555616223 334485008 /nfs/dbraw/zinc/48/50/08/334485008.db2.gz OYDLQPDMKKEAFI-UHFFFAOYSA-N 0 3 282.368 3.698 20 30 CHEDHN C=CCOc1ccc(CNC[C@]2(C)CCCO2)cc1Cl ZINC000152893157 334522335 /nfs/dbraw/zinc/52/23/35/334522335.db2.gz VWNQIBHNMZEUGM-INIZCTEOSA-N 0 3 295.810 3.564 20 30 CHEDHN C=CCCCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000567609310 334740033 /nfs/dbraw/zinc/74/00/33/334740033.db2.gz ZRLNNXDIQDBXBT-UHFFFAOYSA-N 0 3 297.324 3.648 20 30 CHEDHN CC[C@H](NCCCC#N)c1cccc(Br)c1 ZINC000273298746 334763997 /nfs/dbraw/zinc/76/39/97/334763997.db2.gz UJHLZVCFBKIGBX-ZDUSSCGKSA-N 0 3 281.197 3.794 20 30 CHEDHN Cc1c(Br)cccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000568239590 334807611 /nfs/dbraw/zinc/80/76/11/334807611.db2.gz PJVLWIXKNCHZHN-YPMHNXCESA-N 0 3 293.208 3.539 20 30 CHEDHN CCN(Cc1cccs1)Cc1ccc(CC#N)cc1 ZINC000342691322 335185724 /nfs/dbraw/zinc/18/57/24/335185724.db2.gz COQUQMHNTVCCQW-UHFFFAOYSA-N 0 3 270.401 3.836 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 ZINC000576885495 335260541 /nfs/dbraw/zinc/26/05/41/335260541.db2.gz QDASSHASIUVJTG-KSSFIOAISA-N 0 3 277.371 3.536 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000576894263 335261704 /nfs/dbraw/zinc/26/17/04/335261704.db2.gz NEEGOBXTWXVCBR-HIFRSBDPSA-N 0 3 274.795 3.869 20 30 CHEDHN C=CCCCCCNCc1ccnn1C1CCCC1 ZINC000577124052 335304795 /nfs/dbraw/zinc/30/47/95/335304795.db2.gz FDTVFDLLJPJJTG-UHFFFAOYSA-N 0 3 261.413 3.834 20 30 CHEDHN C=CCCCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000577648938 335385935 /nfs/dbraw/zinc/38/59/35/335385935.db2.gz OILAWVGEBKQMDF-KRWDZBQOSA-N 0 3 284.403 3.622 20 30 CHEDHN C[C@H](C1CC1)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000581111817 336009919 /nfs/dbraw/zinc/00/99/19/336009919.db2.gz DWVBUQXYMFLYAD-GFCCVEGCSA-N 0 3 297.320 3.667 20 30 CHEDHN N#Cc1cccc(C2(NC[C@@H]3CCC4(CCCC4)O3)CC2)c1 ZINC000581203703 336024341 /nfs/dbraw/zinc/02/43/41/336024341.db2.gz YPBYFLXQRIVCNP-KRWDZBQOSA-N 0 3 296.414 3.629 20 30 CHEDHN C=CCCCCN[C@@H](C)c1ccc(Br)cn1 ZINC000381300972 336058575 /nfs/dbraw/zinc/05/85/75/336058575.db2.gz IFZSCNJDTWMOJF-NSHDSACASA-N 0 3 283.213 3.851 20 30 CHEDHN C=CC(C)(C)CNCc1sccc1Br ZINC000385039763 336136441 /nfs/dbraw/zinc/13/64/41/336136441.db2.gz NIVHRKXUZKCJKX-UHFFFAOYSA-N 0 3 274.227 3.812 20 30 CHEDHN N#CC(CCc1ccccc1)C(=O)NC12CCC(CC1)CC2 ZINC000581868387 336154801 /nfs/dbraw/zinc/15/48/01/336154801.db2.gz JDXDWTJMLLNIAP-HFCFLWKCSA-N 0 3 296.414 3.598 20 30 CHEDHN C=CCOc1ccccc1CNCC1(OCC)CCCC1 ZINC000386669169 336177008 /nfs/dbraw/zinc/17/70/08/336177008.db2.gz BXVHDMFZFBCTEV-UHFFFAOYSA-N 0 3 289.419 3.690 20 30 CHEDHN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(C#N)s1 ZINC000334831765 534064025 /nfs/dbraw/zinc/06/40/25/534064025.db2.gz RQKNMOCMAGZINH-QLJPJBMISA-N 0 3 286.375 3.782 20 30 CHEDHN C=CCC[C@@H](C)N[C@H](C)c1ccc(Br)cn1 ZINC000279650534 518709947 /nfs/dbraw/zinc/70/99/47/518709947.db2.gz FADXBGPPEZRGQE-GHMZBOCLSA-N 0 3 283.213 3.849 20 30 CHEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000080933240 521338818 /nfs/dbraw/zinc/33/88/18/521338818.db2.gz OKERUXAQKOFNAD-CQSZACIVSA-N 0 3 280.371 3.847 20 30 CHEDHN CCN(Cc1cccs1)Cc1ccc(C#N)cc1 ZINC000042211381 521407556 /nfs/dbraw/zinc/40/75/56/521407556.db2.gz FKCZRTIEAFABMU-UHFFFAOYSA-N 0 3 256.374 3.642 20 30 CHEDHN COc1cc(CN[C@@H](C)c2ccccc2C)ccc1C#N ZINC000234938806 522475246 /nfs/dbraw/zinc/47/52/46/522475246.db2.gz YFHBBWOHEIGVNW-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN CC[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(C#N)cc1 ZINC000278358926 522927865 /nfs/dbraw/zinc/92/78/65/522927865.db2.gz BHNHSVPQDCCLRH-QZTJIDSGSA-N 0 3 292.382 3.992 20 30 CHEDHN CC[C@@H](c1ccncc1)N(C)Cc1cccc(C#N)c1 ZINC000130260331 523121907 /nfs/dbraw/zinc/12/19/07/523121907.db2.gz XLUKSXQUXFCXKS-KRWDZBQOSA-N 0 3 265.360 3.536 20 30 CHEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H](C)C1 ZINC000340924314 524514979 /nfs/dbraw/zinc/51/49/79/524514979.db2.gz WTFKMXSZWLODAE-OLZOCXBDSA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C#N)o1 ZINC000127568182 524828766 /nfs/dbraw/zinc/82/87/66/524828766.db2.gz SVNMNYXNYMRTOW-DZGCQCFKSA-N 0 3 266.344 3.529 20 30 CHEDHN C[C@H](NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000052338266 525430589 /nfs/dbraw/zinc/43/05/89/525430589.db2.gz LPXIZDMIVJNPKG-LBPRGKRZSA-N 0 3 260.356 3.756 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2ccccc21)c1cccc(C#N)c1 ZINC000037230000 525652842 /nfs/dbraw/zinc/65/28/42/525652842.db2.gz UMFLNPBJRSVWOP-FZKQIMNGSA-N 0 3 262.356 3.896 20 30 CHEDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000036991778 525933864 /nfs/dbraw/zinc/93/38/64/525933864.db2.gz XDIVXJDJJYLSKI-KBPBESRZSA-N 0 3 280.371 3.984 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccncc2)CC1 ZINC000191603733 526036505 /nfs/dbraw/zinc/03/65/05/526036505.db2.gz SDBOSPWEDDEAMS-HNNXBMFYSA-N 0 3 291.398 3.894 20 30 CHEDHN N#Cc1cccc(CN[C@H](c2cccnc2)C2CCC2)c1 ZINC000280220269 526709428 /nfs/dbraw/zinc/70/94/28/526709428.db2.gz GISRPNZJWDQLHJ-SFHVURJKSA-N 0 3 277.371 3.584 20 30 CHEDHN C=CCOc1cccc(CN[C@H]2CCc3c2cccc3O)c1 ZINC000105487338 526905024 /nfs/dbraw/zinc/90/50/24/526905024.db2.gz AZYORHVIGKWKCH-SFHVURJKSA-N 0 3 295.382 3.734 20 30 CHEDHN C=CCC[C@@H](NCCCOC(F)F)c1ccco1 ZINC000353597489 527448251 /nfs/dbraw/zinc/44/82/51/527448251.db2.gz SUKRVOBEIWBFQZ-LLVKDONJSA-N 0 3 259.296 3.506 20 30 CHEDHN C=CCC[C@H](NCc1c[nH]c2nccnc12)c1ccccc1 ZINC000356109107 527485353 /nfs/dbraw/zinc/48/53/53/527485353.db2.gz QCZAABFQNVPXEE-INIZCTEOSA-N 0 3 292.386 3.707 20 30 CHEDHN CC1(C2CC2)CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000352175232 527904736 /nfs/dbraw/zinc/90/47/36/527904736.db2.gz FTDZAOUTKSQQRN-UHFFFAOYSA-N 0 3 272.367 3.709 20 30 CHEDHN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341756187 536897498 /nfs/dbraw/zinc/89/74/98/536897498.db2.gz CWJZFJLOUHAACV-LJQANCHMSA-N 0 3 292.382 3.734 20 30 CHEDHN CC[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccncc1 ZINC000127372360 1125460815 /nfs/dbraw/zinc/46/08/15/1125460815.db2.gz NGJKYDWOYJUTGZ-JLAWEPINSA-N 0 3 291.398 3.746 20 30 CHEDHN C=C(C)[C@@H](N[C@H](C)COC(C)C)c1ccc(F)c(F)c1 ZINC000500405247 1120614199 /nfs/dbraw/zinc/61/41/99/1120614199.db2.gz SLWKRFGYMLZUHV-MLGOLLRUSA-N 0 3 283.362 3.985 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2nc(C(F)(F)F)cs2)C1 ZINC000651719697 1120724529 /nfs/dbraw/zinc/72/45/29/1120724529.db2.gz BESPTOLBIQNZIA-ZJUUUORDSA-N 0 3 290.354 3.996 20 30 CHEDHN C=C(C)CCN(Cc1ccc(F)cc1F)C1CC1 ZINC000509325580 1121530268 /nfs/dbraw/zinc/53/02/68/1121530268.db2.gz CFRWXUUKBPIJCB-UHFFFAOYSA-N 0 3 251.320 3.895 20 30 CHEDHN C#CCN(Cc1cccn1C(F)F)C1CCCCC1 ZINC001180029529 1121939896 /nfs/dbraw/zinc/93/98/96/1121939896.db2.gz ACVCUCGVJVAWRS-UHFFFAOYSA-N 0 3 266.335 3.651 20 30 CHEDHN CC(C)COc1cccc(CNCC2(CC#N)CC2)c1 ZINC000430036793 1121969575 /nfs/dbraw/zinc/96/95/75/1121969575.db2.gz FYEFXDCEAHFUPU-UHFFFAOYSA-N 0 3 272.392 3.505 20 30 CHEDHN CC(C)(C)CCNN=C1CCCNc2ccccc21 ZINC000774411897 1122162209 /nfs/dbraw/zinc/16/22/09/1122162209.db2.gz ZAXUCVIWNNAZNY-UHFFFAOYSA-N 0 3 259.397 3.622 20 30 CHEDHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1ccc(C#N)o1 ZINC000516514027 1122606772 /nfs/dbraw/zinc/60/67/72/1122606772.db2.gz CNCQOAOQZMXFNK-QWHCGFSZSA-N 0 3 260.381 3.798 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)s2)C1 ZINC000872108672 1124685104 /nfs/dbraw/zinc/68/51/04/1124685104.db2.gz WQODAOJKZPJMRA-NXEZZACHSA-N 0 3 288.338 3.939 20 30 CHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000876992590 1124995440 /nfs/dbraw/zinc/99/54/40/1124995440.db2.gz HFHWQNGUVRNPFV-HZMBPMFUSA-N 0 3 280.799 3.609 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@H](C)C[C@@H]2C)c1[O-] ZINC001138628673 1131529350 /nfs/dbraw/zinc/52/93/50/1131529350.db2.gz ZLPALQUIWWOXMB-KBPBESRZSA-N 0 3 259.393 3.741 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c1[O-] ZINC001138628673 1131529356 /nfs/dbraw/zinc/52/93/56/1131529356.db2.gz ZLPALQUIWWOXMB-KBPBESRZSA-N 0 3 259.393 3.741 20 30 CHEDHN CCCCCCC[C@H](CC)NCC(=O)c1cccnc1 ZINC001172349462 1132181720 /nfs/dbraw/zinc/18/17/20/1132181720.db2.gz CIDHPBBSKORGMR-INIZCTEOSA-N 0 3 276.424 3.993 20 30 CHEDHN CCCCCCC[C@@H](CC)N1CCN(C(=O)CC)CC1 ZINC001172357949 1132186419 /nfs/dbraw/zinc/18/64/19/1132186419.db2.gz NLOFHGYWLPMACN-MRXNPFEDSA-N 0 3 282.472 3.680 20 30 CHEDHN C[C@@H](CCCC#N)N(C)Cc1ncccc1C(F)(F)F ZINC001172493973 1132248641 /nfs/dbraw/zinc/24/86/41/1132248641.db2.gz PRXKEJKSXBVMDC-NSHDSACASA-N 0 3 285.313 3.615 20 30 CHEDHN CCCCCCCC[C@H](CC)N1CCN(C(C)=O)CC1 ZINC001172504863 1132254200 /nfs/dbraw/zinc/25/42/00/1132254200.db2.gz HRDDFUCPHTWDLY-KRWDZBQOSA-N 0 3 282.472 3.680 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC2(C1)CCCCC2 ZINC001233082588 1132572935 /nfs/dbraw/zinc/57/29/35/1132572935.db2.gz SAVWDYHWTCNADN-UHFFFAOYSA-N 0 3 254.377 3.633 20 30 CHEDHN CCCCN(CCC#N)CC[C@@H](C)CCCC(C)(C)O ZINC001207671291 1133837825 /nfs/dbraw/zinc/83/78/25/1133837825.db2.gz VKKVUFFLDZRRJE-INIZCTEOSA-N 0 3 282.472 3.970 20 30 CHEDHN CCCCN(CCC#N)CC[C@H](C)CCCC(C)(C)O ZINC001207671292 1133838340 /nfs/dbraw/zinc/83/83/40/1133838340.db2.gz VKKVUFFLDZRRJE-MRXNPFEDSA-N 0 3 282.472 3.970 20 30 CHEDHN C#CCN1CCN(CCCCCCCCCC=C)CC1 ZINC001207899949 1133860297 /nfs/dbraw/zinc/86/02/97/1133860297.db2.gz QSJSINNVNIKCTF-UHFFFAOYSA-N 0 3 276.468 3.544 20 30 CHEDHN CCCCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224387333 1135444501 /nfs/dbraw/zinc/44/45/01/1135444501.db2.gz RWLYYFRDEDRHFT-UAGQMJEPSA-N 0 3 281.440 3.558 20 30 CHEDHN C#C[C@@H](CCCCC)Oc1ccccc1CN(C)C ZINC001229699034 1125654496 /nfs/dbraw/zinc/65/44/96/1125654496.db2.gz JPJYYYJWYWPOKI-INIZCTEOSA-N 0 3 259.393 3.709 20 30 CHEDHN C=CCCOCCN[C@H]1CCSc2ccc(F)cc21 ZINC000090884016 1125747509 /nfs/dbraw/zinc/74/75/09/1125747509.db2.gz DPYHTDBJQYNJEK-AWEZNQCLSA-N 0 3 281.396 3.545 20 30 CHEDHN CC(C)(C#N)CCN1Cc2ccccc2OC2(CCC2)C1 ZINC000887150071 1125756147 /nfs/dbraw/zinc/75/61/47/1125756147.db2.gz VXFLDFRCPULLCP-UHFFFAOYSA-N 0 3 284.403 3.744 20 30 CHEDHN CCN(Cc1ncccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000093159761 1125766800 /nfs/dbraw/zinc/76/68/00/1125766800.db2.gz LGJHPPJEYIQNDR-OAHLLOKOSA-N 0 3 279.387 3.845 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2c(F)cncc2F)C1 ZINC000651806598 1129748738 /nfs/dbraw/zinc/74/87/38/1129748738.db2.gz QBKXQYJRYYTGTC-QJPTWQEYSA-N 0 3 266.335 3.755 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H](c2ccccc2F)C2CC2)C1 ZINC001254646030 1130270858 /nfs/dbraw/zinc/27/08/58/1130270858.db2.gz JDNMWVFJPBCWBE-NORZTCDRSA-N 0 3 258.340 3.559 20 30 CHEDHN Cc1csc(C(C)(C)NCCCC(C)(C)C#N)n1 ZINC000174866443 1126774186 /nfs/dbraw/zinc/77/41/86/1126774186.db2.gz PPZUIBYULZQPOW-UHFFFAOYSA-N 0 3 265.426 3.606 20 30 CHEDHN Cc1ccccc1OCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000483543975 1126791756 /nfs/dbraw/zinc/79/17/56/1126791756.db2.gz NETGAGYMVJZOAK-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN CCN(CC#Cc1ccccc1)CCc1ccccc1 ZINC000483520624 1126791875 /nfs/dbraw/zinc/79/18/75/1126791875.db2.gz VZGSEAFNDALQAP-UHFFFAOYSA-N 0 3 263.384 3.603 20 30 CHEDHN Fc1ccc(C[C@H]2CCN(CC#Cc3ccccc3)C2)cc1 ZINC000483966295 1126806924 /nfs/dbraw/zinc/80/69/24/1126806924.db2.gz SWORQDAUZBJELS-LJQANCHMSA-N 0 3 293.385 3.742 20 30 CHEDHN CCS[C@@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000483950646 1126806711 /nfs/dbraw/zinc/80/67/11/1126806711.db2.gz DYPAHHDRVARZGS-QGZVFWFLSA-N 0 3 273.445 3.646 20 30 CHEDHN C(#Cc1ccccc1)CN[C@H](c1cccs1)C1CC1 ZINC000484070455 1126809902 /nfs/dbraw/zinc/80/99/02/1126809902.db2.gz LVEQWLQOGVQISD-KRWDZBQOSA-N 0 3 267.397 3.841 20 30 CHEDHN C#C[C@H](NC1CC(C(F)F)C1)c1ccc(Cl)cc1 ZINC000811517466 1130615952 /nfs/dbraw/zinc/61/59/52/1130615952.db2.gz TVOJVDOTBKOYND-GDKBPFBDSA-N 0 3 269.722 3.648 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000180947539 1126850405 /nfs/dbraw/zinc/85/04/05/1126850405.db2.gz IXACQYVXUOZLRP-MNOVXSKESA-N 0 3 250.411 3.637 20 30 CHEDHN CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000181806687 1126861671 /nfs/dbraw/zinc/86/16/71/1126861671.db2.gz DYGWXVRIPWUGGN-DYVFJYSZSA-N 0 3 265.360 3.755 20 30 CHEDHN Cc1ccc(OC(F)F)c(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185856655 1126903968 /nfs/dbraw/zinc/90/39/68/1126903968.db2.gz RTQDXNQDMVXILV-GXTWGEPZSA-N 0 3 294.345 3.768 20 30 CHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(F)c(Cl)c1 ZINC000190863234 1126945227 /nfs/dbraw/zinc/94/52/27/1126945227.db2.gz IICWBBBLMZGOJD-JTQLQIEISA-N 0 3 291.757 3.540 20 30 CHEDHN CC(C)c1ccc2c(c1)[C@H](NCc1cc(C#N)n(C)c1)CC2 ZINC000191618463 1126953752 /nfs/dbraw/zinc/95/37/52/1126953752.db2.gz DTGWFTHRFBLKQO-LJQANCHMSA-N 0 3 293.414 3.797 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1ccc(C#N)cc1 ZINC000192353523 1126960917 /nfs/dbraw/zinc/96/09/17/1126960917.db2.gz ZMOXDZQIZLGDQQ-FZKQIMNGSA-N 0 3 292.382 3.992 20 30 CHEDHN Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)s1 ZINC000267235451 1126995741 /nfs/dbraw/zinc/99/57/41/1126995741.db2.gz WMPNLGOLFNJCFC-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN N#CCC[C@H](NC/C=C\c1ccncc1)c1ccccc1 ZINC000487576214 1127036770 /nfs/dbraw/zinc/03/67/70/1127036770.db2.gz SVVUQXCOQNZDKG-XFHJGTJQSA-N 0 3 277.371 3.729 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)o1)Cc1ccc(N(C)C)cc1 ZINC000271052913 1127067756 /nfs/dbraw/zinc/06/77/56/1127067756.db2.gz BOFHMVULPWPDHT-UHFFFAOYSA-N 0 3 297.402 3.628 20 30 CHEDHN C=C(CN[C@@H](C)c1cnn(C2CCC2)c1)c1ccccc1 ZINC000924840300 1127082920 /nfs/dbraw/zinc/08/29/20/1127082920.db2.gz CWJNXTFKBWLHKA-HNNXBMFYSA-N 0 3 281.403 3.972 20 30 CHEDHN C=CCCC[C@@H](N)C(=O)Nc1c(C)cccc1C(C)C ZINC000911937859 1127090715 /nfs/dbraw/zinc/09/07/15/1127090715.db2.gz YVOSCQCUHVGMDE-OAHLLOKOSA-N 0 3 274.408 3.741 20 30 CHEDHN C=CCCOCCN[C@H](c1ccc(C)o1)C1CCC1 ZINC000349774715 1127160048 /nfs/dbraw/zinc/16/00/48/1127160048.db2.gz ISYAKFSZURQUFM-INIZCTEOSA-N 0 3 263.381 3.612 20 30 CHEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000588204776 1127181118 /nfs/dbraw/zinc/18/11/18/1127181118.db2.gz OCIRGUNKRBERJC-IFXJQAMLSA-N 0 3 291.398 3.845 20 30 CHEDHN CCCc1cc(C(=O)C(C#N)c2ccncn2)ccc1Cl ZINC000351600424 1127197154 /nfs/dbraw/zinc/19/71/54/1127197154.db2.gz YJOWZKKZKIOHJM-ZDUSSCGKSA-N 0 3 299.761 3.573 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](C3CC3)C2)c(Cl)c1 ZINC000588978284 1127209149 /nfs/dbraw/zinc/20/91/49/1127209149.db2.gz UYSCQJLMADUWCN-AWEZNQCLSA-N 0 3 274.795 3.834 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000589342233 1127218322 /nfs/dbraw/zinc/21/83/22/1127218322.db2.gz WHSKTNVNJPKXOG-UGSOOPFHSA-N 0 3 277.371 3.600 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(F)cc31)CC2 ZINC000589342413 1127218439 /nfs/dbraw/zinc/21/84/39/1127218439.db2.gz QRVDRTKXKQHPPX-RTBURBONSA-N 0 3 292.357 3.962 20 30 CHEDHN CC(C)[C@H]1CCC[C@H](NCc2nc(C#N)cs2)CC1 ZINC000589317787 1127218686 /nfs/dbraw/zinc/21/86/86/1127218686.db2.gz FEEQRRAHRJUNTR-STQMWFEESA-N 0 3 277.437 3.709 20 30 CHEDHN CC(C)[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)CC1 ZINC000589317786 1127218764 /nfs/dbraw/zinc/21/87/64/1127218764.db2.gz FEEQRRAHRJUNTR-QWHCGFSZSA-N 0 3 277.437 3.709 20 30 CHEDHN Cc1n[nH]cc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000590257843 1127253234 /nfs/dbraw/zinc/25/32/34/1127253234.db2.gz KVNQRGHETDLQBM-DYVFJYSZSA-N 0 3 282.391 3.804 20 30 CHEDHN CC1=CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000353918181 1127278463 /nfs/dbraw/zinc/27/84/63/1127278463.db2.gz JAABXCLKSXRTBT-UHFFFAOYSA-N 0 3 270.376 3.521 20 30 CHEDHN Cc1ccncc1[C@H](C)NCCC1(C#N)CCCCC1 ZINC000591026641 1127284486 /nfs/dbraw/zinc/28/44/86/1127284486.db2.gz PSMAVJOZMKGALD-HNNXBMFYSA-N 0 3 271.408 3.905 20 30 CHEDHN C#CCCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000760818958 1127294793 /nfs/dbraw/zinc/29/47/93/1127294793.db2.gz QWGZAJFQBUMSSL-UHFFFAOYSA-N 0 3 268.187 3.981 20 30 CHEDHN N#CCc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000573682069 1127323069 /nfs/dbraw/zinc/32/30/69/1127323069.db2.gz NGMGJCSJGDSFJB-IBGZPJMESA-N 0 3 291.398 3.779 20 30 CHEDHN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2ccncc2C#N)C1 ZINC000592069300 1127334533 /nfs/dbraw/zinc/33/45/33/1127334533.db2.gz OJVSNYKFTNOPAD-WBVHZDCISA-N 0 3 291.398 3.640 20 30 CHEDHN N#Cc1cccc(CNC2(c3cccc(F)c3)CCC2)c1 ZINC000592144323 1127338923 /nfs/dbraw/zinc/33/89/23/1127338923.db2.gz DROCBIDWNVKMQR-UHFFFAOYSA-N 0 3 280.346 3.866 20 30 CHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000289680159 1127384660 /nfs/dbraw/zinc/38/46/60/1127384660.db2.gz HQOAGRVWECXRTE-WMLDXEAASA-N 0 3 297.398 3.560 20 30 CHEDHN C#Cc1ccc(CN(CC)[C@@H](C)c2cccnc2)cc1 ZINC000290436463 1127390586 /nfs/dbraw/zinc/39/05/86/1127390586.db2.gz LOYGOFQDEGEFDJ-HNNXBMFYSA-N 0 3 264.372 3.646 20 30 CHEDHN N#CC1(CN[C@H]2CC[C@H](c3ccccc3)C2)CCCC1 ZINC000593654351 1127394405 /nfs/dbraw/zinc/39/44/05/1127394405.db2.gz BDVQBYVSKAXJIF-IRXDYDNUSA-N 0 3 268.404 3.996 20 30 CHEDHN C[C@H](CCC#N)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000593966421 1127404294 /nfs/dbraw/zinc/40/42/94/1127404294.db2.gz CSHWUTOXUBMPID-CQSZACIVSA-N 0 3 272.367 3.997 20 30 CHEDHN C=CCC[C@@H](NC[C@H](C)C(=O)OC(C)(C)C)c1ccco1 ZINC000594508377 1127419483 /nfs/dbraw/zinc/41/94/83/1127419483.db2.gz BNMKSYMNXAICAG-UONOGXRCSA-N 0 3 293.407 3.854 20 30 CHEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000594518655 1127421194 /nfs/dbraw/zinc/42/11/94/1127421194.db2.gz IVOHXEDBIHYNHU-AFAVFJNCSA-N 0 3 290.382 3.696 20 30 CHEDHN C=C(CC)CN(C)[C@@H](C)c1sc(CC)nc1C ZINC000358509940 1127424398 /nfs/dbraw/zinc/42/43/98/1127424398.db2.gz NVIFIVSOJHTKJY-LBPRGKRZSA-N 0 3 252.427 3.973 20 30 CHEDHN CC(C)(C#N)c1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000594606900 1127425636 /nfs/dbraw/zinc/42/56/36/1127425636.db2.gz NJFWOOPYPMDOIJ-UHFFFAOYSA-N 0 3 268.404 3.864 20 30 CHEDHN C=C(CC)CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000358620874 1127428856 /nfs/dbraw/zinc/42/88/56/1127428856.db2.gz PTTMCHYOUDVEOB-ZDUSSCGKSA-N 0 3 250.411 3.727 20 30 CHEDHN COCc1csc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000594725382 1127429925 /nfs/dbraw/zinc/42/99/25/1127429925.db2.gz JTVIGMFRJTUZOR-GFCCVEGCSA-N 0 3 286.400 3.617 20 30 CHEDHN C[C@H]1CC[C@@](C)(CNCc2nc(C#N)cs2)C1(C)C ZINC000594968549 1127441384 /nfs/dbraw/zinc/44/13/84/1127441384.db2.gz RVWFSYPCITZMFD-NHYWBVRUSA-N 0 3 277.437 3.567 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc2scnc2c1 ZINC001308726438 1127442378 /nfs/dbraw/zinc/44/23/78/1127442378.db2.gz HKBHBVHINFXEDK-CYBMUJFWSA-N 0 3 258.390 3.837 20 30 CHEDHN C=CCCSCCN[C@H](C)c1ccc(C#N)cc1F ZINC000595058309 1127446712 /nfs/dbraw/zinc/44/67/12/1127446712.db2.gz HEDQFRZRILQWOV-GFCCVEGCSA-N 0 3 278.396 3.657 20 30 CHEDHN COCc1csc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000595077870 1127453105 /nfs/dbraw/zinc/45/31/05/1127453105.db2.gz QTAXBSSKWSDSPW-KRWDZBQOSA-N 0 3 298.411 3.543 20 30 CHEDHN N#CC1(CN[C@H]2Cc3[nH]c4ccccc4c3C2)CCCCC1 ZINC000595092193 1127454908 /nfs/dbraw/zinc/45/49/08/1127454908.db2.gz YSAGDELCOUFNTN-CQSZACIVSA-N 0 3 293.414 3.699 20 30 CHEDHN Cc1cccc(C)c1[C@H]1CCCN1CC1(C#N)CC1 ZINC000595603039 1127470274 /nfs/dbraw/zinc/47/02/74/1127470274.db2.gz WYWJEQMAMQIYBD-OAHLLOKOSA-N 0 3 254.377 3.744 20 30 CHEDHN CC(C)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595614322 1127470477 /nfs/dbraw/zinc/47/04/77/1127470477.db2.gz KGIRQCVTJVLFPO-HNNXBMFYSA-N 0 3 272.392 3.599 20 30 CHEDHN CC(C)Oc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595610722 1127470566 /nfs/dbraw/zinc/47/05/66/1127470566.db2.gz ANIVKNFXCRUFOD-HNNXBMFYSA-N 0 3 272.392 3.599 20 30 CHEDHN N#Cc1ccc(CN2CCC(C3CCC3)CC2)s1 ZINC000595658644 1127471967 /nfs/dbraw/zinc/47/19/67/1127471967.db2.gz GOKNGEZXBMOTGC-UHFFFAOYSA-N 0 3 260.406 3.632 20 30 CHEDHN CC(C)c1ccc2c(c1)CN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000595656748 1127471974 /nfs/dbraw/zinc/47/19/74/1127471974.db2.gz DVNGJBOKZUSWKS-KDOFPFPSSA-N 0 3 268.404 3.860 20 30 CHEDHN CC(C)c1ccc2c(c1)CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000595656749 1127472123 /nfs/dbraw/zinc/47/21/23/1127472123.db2.gz DVNGJBOKZUSWKS-KSSFIOAISA-N 0 3 268.404 3.860 20 30 CHEDHN CC1(C)CCN(C[C@@H](C#N)CCC#N)CC(C)(C)C1 ZINC000595748828 1127475157 /nfs/dbraw/zinc/47/51/57/1127475157.db2.gz IDBZQHHNIFRORI-CQSZACIVSA-N 0 3 261.413 3.578 20 30 CHEDHN CCCN(Cc1ccccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000595781185 1127476665 /nfs/dbraw/zinc/47/66/65/1127476665.db2.gz ACBGQRKTQSMQDB-ZFWWWQNUSA-N 0 3 260.356 3.730 20 30 CHEDHN CC[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595867400 1127479161 /nfs/dbraw/zinc/47/91/61/1127479161.db2.gz MPBWIAITMHLQMB-SWLSCSKDSA-N 0 3 287.363 3.619 20 30 CHEDHN CC(C)Oc1ccccc1CN1CCC(CC#N)CC1 ZINC000543780275 1127510876 /nfs/dbraw/zinc/51/08/76/1127510876.db2.gz MBEOYQVBKMIKBJ-UHFFFAOYSA-N 0 3 272.392 3.599 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCC1(F)F ZINC000597133221 1127528659 /nfs/dbraw/zinc/52/86/59/1127528659.db2.gz QPASACKYIRQUPH-ZDUSSCGKSA-N 0 3 290.357 3.719 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCC1(F)F ZINC000597133220 1127528881 /nfs/dbraw/zinc/52/88/81/1127528881.db2.gz QPASACKYIRQUPH-CYBMUJFWSA-N 0 3 290.357 3.719 20 30 CHEDHN CC[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@H](C)C#N ZINC000597081530 1127527369 /nfs/dbraw/zinc/52/73/69/1127527369.db2.gz BTLDZIMKCOHRKS-SMDDNHRTSA-N 0 3 284.325 3.776 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2cccc(C3CC3)c2)C1 ZINC000597177544 1127532302 /nfs/dbraw/zinc/53/23/02/1127532302.db2.gz OUPCTHQZNBPQPG-AWEZNQCLSA-N 0 3 254.377 3.690 20 30 CHEDHN CC(C)C[C@@H](CN1CC(CC#N)C1)c1ccccc1 ZINC000597204483 1127534913 /nfs/dbraw/zinc/53/49/13/1127534913.db2.gz XFIOPTJMRNAKHM-KRWDZBQOSA-N 0 3 256.393 3.662 20 30 CHEDHN CC[C@@H](CNCc1cccc(F)c1C#N)CC(F)(F)F ZINC000602020252 1127556326 /nfs/dbraw/zinc/55/63/26/1127556326.db2.gz OFOTVTASGKYHGK-SNVBAGLBSA-N 0 3 288.288 3.766 20 30 CHEDHN CSc1ccc(F)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000361441903 1127563838 /nfs/dbraw/zinc/56/38/38/1127563838.db2.gz XJYOQIJZOBUPHN-RISCZKNCSA-N 0 3 278.396 3.720 20 30 CHEDHN Cc1ccc([C@H](C)N(C)Cc2cc(C#N)n(C)c2)c(C)c1 ZINC000361508689 1127568243 /nfs/dbraw/zinc/56/82/43/1127568243.db2.gz ONKBXCAOXHOCMK-HNNXBMFYSA-N 0 3 281.403 3.707 20 30 CHEDHN Cn1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)cc1C#N ZINC000361605183 1127576217 /nfs/dbraw/zinc/57/62/17/1127576217.db2.gz XIZHKPPIAAYKTL-QZEKMECESA-N 0 3 291.398 3.575 20 30 CHEDHN CCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccc(F)cc1 ZINC000361550076 1127571723 /nfs/dbraw/zinc/57/17/23/1127571723.db2.gz DBMHIVRIJJOVGY-ZDUSSCGKSA-N 0 3 285.366 3.619 20 30 CHEDHN CC[C@H](c1ccccc1)N(CC)Cc1cccc(C#N)n1 ZINC000602444480 1127579976 /nfs/dbraw/zinc/57/99/76/1127579976.db2.gz NTWQZPKRGWCJCD-GOSISDBHSA-N 0 3 279.387 3.926 20 30 CHEDHN N#CC1CCC(NCc2c(F)cccc2Cl)CC1 ZINC000602524671 1127591056 /nfs/dbraw/zinc/59/10/56/1127591056.db2.gz OPVYVALVPPIRPV-UHFFFAOYSA-N 0 3 266.747 3.651 20 30 CHEDHN N#CC1CCC(NCc2coc(-c3cccs3)n2)CC1 ZINC000602532491 1127591662 /nfs/dbraw/zinc/59/16/62/1127591662.db2.gz GCENZLYKFZFSLX-UHFFFAOYSA-N 0 3 287.388 3.575 20 30 CHEDHN C[C@@H](CCC#N)CN[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000602578344 1127596324 /nfs/dbraw/zinc/59/63/24/1127596324.db2.gz DGYSHQKCKQEKLA-KSSFIOAISA-N 0 3 297.377 3.840 20 30 CHEDHN Cc1nc([C@H]2CCCN2C[C@H](C)CCC#N)cs1 ZINC000602615168 1127597502 /nfs/dbraw/zinc/59/75/02/1127597502.db2.gz IKWGQNYEGZUEKP-BXUZGUMPSA-N 0 3 263.410 3.528 20 30 CHEDHN C[C@H](CCC#N)CNC1(c2c(F)cccc2F)CCC1 ZINC000602729973 1127610139 /nfs/dbraw/zinc/61/01/39/1127610139.db2.gz LFASHXNPSDMKRG-GFCCVEGCSA-N 0 3 278.346 3.873 20 30 CHEDHN N#CCC1(CN(Cc2ccco2)C2CCCC2)CC1 ZINC000602764677 1127611543 /nfs/dbraw/zinc/61/15/43/1127611543.db2.gz HEMXAANQGCWFJR-UHFFFAOYSA-N 0 3 258.365 3.718 20 30 CHEDHN CCOc1ccc(C2=CCN(CC3(CC#N)CC3)CC2)cc1 ZINC000602796118 1127614746 /nfs/dbraw/zinc/61/47/46/1127614746.db2.gz CVPBQNLNMGVVTK-UHFFFAOYSA-N 0 3 296.414 3.868 20 30 CHEDHN CCCc1ccc(CN2CCC[C@H](CC#N)C2)s1 ZINC000598674196 1127632629 /nfs/dbraw/zinc/63/26/29/1127632629.db2.gz NHWUMSUDPPNZHD-CYBMUJFWSA-N 0 3 262.422 3.826 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599060794 1127654589 /nfs/dbraw/zinc/65/45/89/1127654589.db2.gz ZHVTUQBKYSGSML-RWMBFGLXSA-N 0 3 278.346 3.842 20 30 CHEDHN Cc1ccc(CN2CCC(c3ccccn3)CC2)cc1C#N ZINC000599335644 1127667357 /nfs/dbraw/zinc/66/73/57/1127667357.db2.gz BPSUCLXEOMTBCB-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN N#CCC1(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000366815837 1127747752 /nfs/dbraw/zinc/74/77/52/1127747752.db2.gz BIALJKWDDDULAQ-QGZVFWFLSA-N 0 3 296.414 3.672 20 30 CHEDHN CC(C)(CCC#N)CN1CC[C@](F)(c2ccccc2)C1 ZINC000367166387 1127750993 /nfs/dbraw/zinc/75/09/93/1127750993.db2.gz ZPGCBMIBXQKFCX-QGZVFWFLSA-N 0 3 274.383 3.887 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](OC2CCC2)C1 ZINC000594027705 1127771486 /nfs/dbraw/zinc/77/14/86/1127771486.db2.gz YPFLTZFWUCXRQE-KDOFPFPSSA-N 0 3 284.403 3.653 20 30 CHEDHN C[C@@H]1CCC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000174014582 1127866177 /nfs/dbraw/zinc/86/61/77/1127866177.db2.gz QJUSMPXEIAFHEY-FRRDWIJNSA-N 0 3 282.343 3.830 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC000411984073 1127884433 /nfs/dbraw/zinc/88/44/33/1127884433.db2.gz MUXQLTPXPKDRRU-IBGZPJMESA-N 0 3 292.382 3.602 20 30 CHEDHN CC(C)(C#N)CCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412017267 1127887989 /nfs/dbraw/zinc/88/79/89/1127887989.db2.gz XZDPBOVKECBFHR-QGZVFWFLSA-N 0 3 298.430 3.780 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000412018075 1127889874 /nfs/dbraw/zinc/88/98/74/1127889874.db2.gz ZIIBRBMTQPFIEC-NJAFHUGGSA-N 0 3 296.414 3.532 20 30 CHEDHN CCN(Cc1occc1C)Cc1ccc(CC#N)cc1 ZINC000412027642 1127892035 /nfs/dbraw/zinc/89/20/35/1127892035.db2.gz QCXQQYUNDXMLOT-UHFFFAOYSA-N 0 3 268.360 3.676 20 30 CHEDHN C=CCCC1(C(=O)Nc2ccc(CN(C)C)cc2F)CC1 ZINC000412559277 1127915535 /nfs/dbraw/zinc/91/55/35/1127915535.db2.gz NBFYKPBRXJRFOO-UHFFFAOYSA-N 0 3 290.382 3.572 20 30 CHEDHN C=CCC[C@@H](C)NCc1ccsc1Br ZINC000308657680 1127919064 /nfs/dbraw/zinc/91/90/64/1127919064.db2.gz OTQLGPMBIRXKRS-SECBINFHSA-N 0 3 274.227 3.955 20 30 CHEDHN Cc1n[nH]cc1C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000375363356 1127942690 /nfs/dbraw/zinc/94/26/90/1127942690.db2.gz SKEMFDAAFHNJOK-CQSZACIVSA-N 0 3 294.402 3.530 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000468474440 1128009730 /nfs/dbraw/zinc/00/97/30/1128009730.db2.gz FWSCJLCLBQZSIO-IXDOHACOSA-N 0 3 256.393 3.913 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(F)ccc1C#N ZINC000468952388 1128029464 /nfs/dbraw/zinc/02/94/64/1128029464.db2.gz LIXQAEFLLVGUJV-IIYDPXPESA-N 0 3 272.367 3.850 20 30 CHEDHN C=C(CC)CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000469451853 1128043912 /nfs/dbraw/zinc/04/39/12/1128043912.db2.gz GMNGBZZQSVPKMG-LBPRGKRZSA-N 0 3 251.320 3.720 20 30 CHEDHN C=CCN(CC=C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470175035 1128064975 /nfs/dbraw/zinc/06/49/75/1128064975.db2.gz OMKFXBWSTYSFDJ-KAMYIIQDSA-N 0 3 272.348 3.672 20 30 CHEDHN COCc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271910678 1128076952 /nfs/dbraw/zinc/07/69/52/1128076952.db2.gz DOXZTLXGUUWARN-CYBMUJFWSA-N 0 3 298.361 3.695 20 30 CHEDHN C=C(C)CN(CCOC(C)(C)C)Cc1ccccc1 ZINC000470908488 1128079465 /nfs/dbraw/zinc/07/94/65/1128079465.db2.gz ITHDYTYUIYTIAM-UHFFFAOYSA-N 0 3 261.409 3.880 20 30 CHEDHN C[C@H](O)c1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271938460 1128082042 /nfs/dbraw/zinc/08/20/42/1128082042.db2.gz NVOHSYWFEBAQAV-STQMWFEESA-N 0 3 298.361 3.601 20 30 CHEDHN C[C@@H](O)c1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271938454 1128082295 /nfs/dbraw/zinc/08/22/95/1128082295.db2.gz NVOHSYWFEBAQAV-CHWSQXEVSA-N 0 3 298.361 3.601 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470953420 1128084096 /nfs/dbraw/zinc/08/40/96/1128084096.db2.gz ONAFVAZLNLPIET-GYSYKLTISA-N 0 3 282.309 3.892 20 30 CHEDHN C[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000471022400 1128085187 /nfs/dbraw/zinc/08/51/87/1128085187.db2.gz MZFSNLTUDDWHRN-BEFAXECRSA-N 0 3 292.382 3.630 20 30 CHEDHN COc1ccc(F)cc1[C@@H](C)N[C@H](C)CC(C)(C)C#N ZINC000924705813 1128110478 /nfs/dbraw/zinc/11/04/78/1128110478.db2.gz MNQRZDCDZDHDJV-VXGBXAGGSA-N 0 3 278.371 3.813 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(CF)cc1 ZINC000777541290 1128117915 /nfs/dbraw/zinc/11/79/15/1128117915.db2.gz VVFBKJVCWWYGOT-UHFFFAOYSA-N 0 3 268.335 3.660 20 30 CHEDHN COc1cc(Cl)ccc1CN[C@H](C)CC(C)(C)C#N ZINC000924997003 1128118501 /nfs/dbraw/zinc/11/85/01/1128118501.db2.gz DRSUGTSLTDZANI-LLVKDONJSA-N 0 3 280.799 3.767 20 30 CHEDHN C=CCSCCN[C@H]1CCCc2c(Cl)ccnc21 ZINC000925353172 1128127908 /nfs/dbraw/zinc/12/79/08/1128127908.db2.gz QRNXUDXNAPBFEA-ZDUSSCGKSA-N 0 3 282.840 3.621 20 30 CHEDHN Cc1cscc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000094877209 1128249401 /nfs/dbraw/zinc/24/94/01/1128249401.db2.gz PYXKHMHTWRBLHB-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN N#Cc1cccc(C2(NCc3ccc(CF)cc3)CC2)c1 ZINC000777721536 1128254292 /nfs/dbraw/zinc/25/42/92/1128254292.db2.gz OEXJHLPSLWOYKK-UHFFFAOYSA-N 0 3 280.346 3.807 20 30 CHEDHN C=CCCCN(CC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000929564080 1128277533 /nfs/dbraw/zinc/27/75/33/1128277533.db2.gz UUQGHIKMOLBMJF-UHFFFAOYSA-N 0 3 289.423 3.568 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CC[C@H](c3ccco3)C2)c1 ZINC000929618390 1128279238 /nfs/dbraw/zinc/27/92/38/1128279238.db2.gz HUQRYGIYVBEAMG-AWEZNQCLSA-N 0 3 286.762 3.794 20 30 CHEDHN N#Cc1cc(F)ccc1CN[C@@H](Cc1ccccc1)C1CC1 ZINC000495485477 1128289532 /nfs/dbraw/zinc/28/95/32/1128289532.db2.gz WFLGJSURXVGVBF-IBGZPJMESA-N 0 3 294.373 3.808 20 30 CHEDHN CC(C)(C)[C@@H](NCc1cncc(C#N)c1)c1ccccc1 ZINC000929892128 1128293123 /nfs/dbraw/zinc/29/31/23/1128293123.db2.gz YTOPHGBBJQAPFL-KRWDZBQOSA-N 0 3 279.387 3.830 20 30 CHEDHN C=CCc1cc(C[N@H+](CC2CC2)C(C)C)c([O-])c(OC)c1 ZINC000754725748 1128299361 /nfs/dbraw/zinc/29/93/61/1128299361.db2.gz BUAVAERBRGBGQE-UHFFFAOYSA-N 0 3 289.419 3.750 20 30 CHEDHN C=CCc1cc(C[N@@H+](CC2CC2)C(C)C)c([O-])c(OC)c1 ZINC000754725748 1128299363 /nfs/dbraw/zinc/29/93/63/1128299363.db2.gz BUAVAERBRGBGQE-UHFFFAOYSA-N 0 3 289.419 3.750 20 30 CHEDHN CC(C)CC[C@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930205870 1128307411 /nfs/dbraw/zinc/30/74/11/1128307411.db2.gz OYXMVJVFLVQKHF-CVEARBPZSA-N 0 3 294.826 3.681 20 30 CHEDHN C[C@H]1CCN(CCCCC2(C#N)CCC2)C[C@H]1F ZINC000930244792 1128310460 /nfs/dbraw/zinc/31/04/60/1128310460.db2.gz PLNYVCKYULBZMD-UONOGXRCSA-N 0 3 252.377 3.530 20 30 CHEDHN CCCCC/C(C=Nn1cnnc1)=C\c1ccccc1 ZINC000916242405 1128412830 /nfs/dbraw/zinc/41/28/30/1128412830.db2.gz OURDIHCGMCYDEL-OPSCFLETSA-N 0 3 268.364 3.776 20 30 CHEDHN CC[C@H](NCCC(C)(C)C#N)c1cc(F)ccc1OC ZINC000932469371 1128411705 /nfs/dbraw/zinc/41/17/05/1128411705.db2.gz PWBDUIDMHQZWKB-AWEZNQCLSA-N 0 3 278.371 3.815 20 30 CHEDHN C=CCCCN(CC)CC(=O)Nc1c(C)cccc1CC ZINC000934648797 1128465725 /nfs/dbraw/zinc/46/57/25/1128465725.db2.gz FDNPGHDFTNRSGK-UHFFFAOYSA-N 0 3 288.435 3.784 20 30 CHEDHN CCCC[C@H](CCC)CNCc1nc(C#N)cs1 ZINC000563755021 1128477100 /nfs/dbraw/zinc/47/71/00/1128477100.db2.gz KVNNMCXUJWUDCZ-LBPRGKRZSA-N 0 3 265.426 3.711 20 30 CHEDHN N#CCCC1CCN(Cc2scnc2C2CC2)CC1 ZINC000566248123 1128540416 /nfs/dbraw/zinc/54/04/16/1128540416.db2.gz OBVGPOAWWWGNQZ-UHFFFAOYSA-N 0 3 275.421 3.536 20 30 CHEDHN C=CCCCCN[C@@H](C)c1c(F)cccc1OC ZINC000310922503 1128546538 /nfs/dbraw/zinc/54/65/38/1128546538.db2.gz RNBSJVFGLUCUTA-LBPRGKRZSA-N 0 3 251.345 3.841 20 30 CHEDHN C#CCCN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000920416066 1128680795 /nfs/dbraw/zinc/68/07/95/1128680795.db2.gz QSEIYLVBEUIOOF-OAHLLOKOSA-N 0 3 259.349 3.590 20 30 CHEDHN Cc1cc(C2CC[NH2+]CC2)ccc1-c1ccc([O-])c(C#N)c1 ZINC000600779641 1128680960 /nfs/dbraw/zinc/68/09/60/1128680960.db2.gz HXHNSGYFKCGGCV-UHFFFAOYSA-N 0 3 292.382 3.706 20 30 CHEDHN CCCCCCC[C@H](C)N1CCc2nn(C)cc2C1 ZINC001258050721 1128695095 /nfs/dbraw/zinc/69/50/95/1128695095.db2.gz WWXJBDVLLVGYRX-AWEZNQCLSA-N 0 3 263.429 3.527 20 30 CHEDHN Cc1ccccc1[C@@H](C)NCc1csc(C#N)c1 ZINC000921477793 1128711047 /nfs/dbraw/zinc/71/10/47/1128711047.db2.gz RDKUIACKQAJPRL-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC=C(c2ccccn2)C1 ZINC000578481444 1128719304 /nfs/dbraw/zinc/71/93/04/1128719304.db2.gz SBTILRYGZBPUHL-OAHLLOKOSA-N 0 3 289.382 3.804 20 30 CHEDHN C=CCCC1(c2nc(-c3ccc(CN(C)C)cc3)no2)CC1 ZINC000578937335 1128733397 /nfs/dbraw/zinc/73/33/97/1128733397.db2.gz XMAUWEMKWKVGBG-UHFFFAOYSA-N 0 3 297.402 3.796 20 30 CHEDHN C=CCOc1c(Cl)cc(CN[C@H](C)C=C)cc1OC ZINC000623445625 1117858803 /nfs/dbraw/zinc/85/88/03/1117858803.db2.gz YPNWZVDHXMWXLA-LLVKDONJSA-N 0 3 281.783 3.578 20 30 CHEDHN C=CCCCCCCCN1CCCC[C@H]1C(C)=O ZINC001209441837 1118061215 /nfs/dbraw/zinc/06/12/15/1118061215.db2.gz KUHBHNMIRGQVJT-INIZCTEOSA-N 0 3 251.414 3.957 20 30 CHEDHN CCOc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921539094 1118176366 /nfs/dbraw/zinc/17/63/66/1118176366.db2.gz MPSJZBNHULMGDH-UHFFFAOYSA-N 0 3 294.398 3.864 20 30 CHEDHN CC[C@@H](N[C@H](C)c1ccnc(OC)c1)c1ccc(C#N)cc1 ZINC000348642781 1118373277 /nfs/dbraw/zinc/37/32/77/1118373277.db2.gz NQZIYYFWVSCKCY-CXAGYDPISA-N 0 3 295.386 3.764 20 30 CHEDHN C=CC[C@H](C)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001167360237 1118390318 /nfs/dbraw/zinc/39/03/18/1118390318.db2.gz KKCSORGTYAQKLD-KBPBESRZSA-N 0 3 294.389 3.608 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1cc2ccccc2[nH]1 ZINC000684022829 1118490753 /nfs/dbraw/zinc/49/07/53/1118490753.db2.gz JZWPWQVDRCCDET-UHFFFAOYSA-N 0 3 280.371 3.992 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334523235 1118554432 /nfs/dbraw/zinc/55/44/32/1118554432.db2.gz PNPFQXKLHPCYLQ-AUUYWEPGSA-N 0 3 291.398 3.990 20 30 CHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccccc2)s1 ZINC000430588244 1118576622 /nfs/dbraw/zinc/57/66/22/1118576622.db2.gz CLCFTOURZHPLAV-GFCCVEGCSA-N 0 3 284.384 3.931 20 30 CHEDHN CCC#C[C@@H](C)N1CCC(OC2CCCCC2)CC1 ZINC000656569008 1118597653 /nfs/dbraw/zinc/59/76/53/1118597653.db2.gz QNGBHBHEGYIMKF-OAHLLOKOSA-N 0 3 263.425 3.602 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(OCC)cc2)c1 ZINC000834904322 1118622166 /nfs/dbraw/zinc/62/21/66/1118622166.db2.gz WTYOKQPYBWYWIK-HNNXBMFYSA-N 0 3 279.383 3.917 20 30 CHEDHN C=CCOc1ccc(CN(C)[C@H]2CCCOC2)cc1Cl ZINC000348675068 1118632239 /nfs/dbraw/zinc/63/22/39/1118632239.db2.gz QANQZWKJYHZFBH-AWEZNQCLSA-N 0 3 295.810 3.516 20 30 CHEDHN N#Cc1cccc(CNCc2cccc(-c3ccccn3)c2)c1 ZINC000126683326 1118642759 /nfs/dbraw/zinc/64/27/59/1118642759.db2.gz MDDITVJFGQGPEM-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(O)c1 ZINC000335785678 1118648807 /nfs/dbraw/zinc/64/88/07/1118648807.db2.gz OYVQPXHDVUGHSO-IBGZPJMESA-N 0 3 292.382 3.821 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@@]1(C)CCOc2ccccc21 ZINC000933372137 1118670403 /nfs/dbraw/zinc/67/04/03/1118670403.db2.gz VOCOEBDUDIAMRY-IBGZPJMESA-N 0 3 292.382 3.654 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000037748596 1128797924 /nfs/dbraw/zinc/79/79/24/1128797924.db2.gz PZVVOPCYFQCDEY-CQSZACIVSA-N 0 3 250.345 3.718 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1cnc2ccsc2c1 ZINC000430733512 1118764820 /nfs/dbraw/zinc/76/48/20/1118764820.db2.gz FZUAGABWYHLCFH-LLVKDONJSA-N 0 3 271.389 3.641 20 30 CHEDHN C=CC1CCN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181106546 1118903281 /nfs/dbraw/zinc/90/32/81/1118903281.db2.gz UOGOAICBHGXCAK-LBPRGKRZSA-N 0 3 256.349 3.787 20 30 CHEDHN CCC1(CC)[C@H](N(C)Cc2ccc(C#N)s2)C[C@@H]1OC ZINC000538797739 1118951995 /nfs/dbraw/zinc/95/19/95/1118951995.db2.gz WUXIJYHKASKFKD-CABCVRRESA-N 0 3 292.448 3.645 20 30 CHEDHN CCN(Cc1cccc(O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119873535 1119018976 /nfs/dbraw/zinc/01/89/76/1119018976.db2.gz MNJVBCMVHKVXMB-AWEZNQCLSA-N 0 3 280.371 3.847 20 30 CHEDHN N#Cc1ccc(CNC2(Cc3ccccc3)CC2)c(F)c1 ZINC000479425502 1119116463 /nfs/dbraw/zinc/11/64/63/1119116463.db2.gz PPCOSPSTWLWBBZ-UHFFFAOYSA-N 0 3 280.346 3.562 20 30 CHEDHN C=CCCNCc1csc(-c2ccsc2)n1 ZINC000657582732 1119196918 /nfs/dbraw/zinc/19/69/18/1119196918.db2.gz CDUOKFHPFZEMEQ-UHFFFAOYSA-N 0 3 250.392 3.537 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)s1 ZINC000135674120 1119208233 /nfs/dbraw/zinc/20/82/33/1119208233.db2.gz PAJRVNURDKDKMA-INIZCTEOSA-N 0 3 268.385 3.861 20 30 CHEDHN C=CCCC[C@@H](C)N(C)Cc1nc2ccccc2n1C ZINC000091514743 1119263828 /nfs/dbraw/zinc/26/38/28/1119263828.db2.gz UQYGMLUWAFUYMR-CQSZACIVSA-N 0 3 271.408 3.750 20 30 CHEDHN C[C@]1(Cc2cccc(F)c2)CCCN1Cc1ccc(C#N)o1 ZINC000572962245 1119348625 /nfs/dbraw/zinc/34/86/25/1119348625.db2.gz YHFBDQFENVQSPL-GOSISDBHSA-N 0 3 298.361 3.888 20 30 CHEDHN C=CCCC[C@H](C)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647295963 1119367402 /nfs/dbraw/zinc/36/74/02/1119367402.db2.gz ZNHSLFARFAEUEE-UONOGXRCSA-N 0 3 261.413 3.615 20 30 CHEDHN C=CCCC(C)(C)NCc1ncc(C(F)(F)F)s1 ZINC000657805692 1119432103 /nfs/dbraw/zinc/43/21/03/1119432103.db2.gz TXWNCFWSZWEWJF-UHFFFAOYSA-N 0 3 278.343 3.996 20 30 CHEDHN C=CCCN(C)Cc1cnc(C2CCCC2)s1 ZINC000343490760 1119433577 /nfs/dbraw/zinc/43/35/77/1119433577.db2.gz LUNCRUFJLIYATE-UHFFFAOYSA-N 0 3 250.411 3.809 20 30 CHEDHN C=CC[C@H](CC)N[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000343511160 1119438670 /nfs/dbraw/zinc/43/86/70/1119438670.db2.gz SUKBYJPXFXBMEZ-HIFRSBDPSA-N 0 3 284.407 3.581 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(Cl)c(C)c2)n1 ZINC000151527166 1119464616 /nfs/dbraw/zinc/46/46/16/1119464616.db2.gz KQDZCAUPLFXDQR-NSHDSACASA-N 0 3 290.775 3.903 20 30 CHEDHN C[C@H]1CCC[C@H](N(C)Cc2ccc(F)cc2C#N)C1 ZINC000343731035 1119496728 /nfs/dbraw/zinc/49/67/28/1119496728.db2.gz YRTDQWGWTHVWNG-LRDDRELGSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000309567259 1119509437 /nfs/dbraw/zinc/50/94/37/1119509437.db2.gz MMNKKMXFTJDUJQ-ZJUUUORDSA-N 0 3 284.197 3.688 20 30 CHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000658334988 1119725585 /nfs/dbraw/zinc/72/55/85/1119725585.db2.gz GZUJHOHLQGEHLS-SMDDNHRTSA-N 0 3 291.391 3.752 20 30 CHEDHN CCCCCCCCC[C@@H](C)OC[C@@H]1CNCCO1 ZINC001217897719 1119739167 /nfs/dbraw/zinc/73/91/67/1119739167.db2.gz ZTIWBXFTQTYWPI-CVEARBPZSA-N 0 3 271.445 3.521 20 30 CHEDHN N#Cc1cc(CN[C@H](c2ccccc2)C2CC2)ccc1F ZINC000179699383 1119758074 /nfs/dbraw/zinc/75/80/74/1119758074.db2.gz UKCRDXVANOGHCQ-GOSISDBHSA-N 0 3 280.346 3.938 20 30 CHEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000612580692 1119801604 /nfs/dbraw/zinc/80/16/04/1119801604.db2.gz WFFGGONXMJGXRL-CYBMUJFWSA-N 0 3 295.342 3.626 20 30 CHEDHN Cc1ccc([C@@H](NCC(C)(C)CC#N)C2CCC2)o1 ZINC000414161275 1119921166 /nfs/dbraw/zinc/92/11/66/1119921166.db2.gz FCEAYYJSJUVADV-HNNXBMFYSA-N 0 3 260.381 3.959 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000414172553 1119925609 /nfs/dbraw/zinc/92/56/09/1119925609.db2.gz WDFLHXGSHFFALD-HNNXBMFYSA-N 0 3 284.403 3.962 20 30 CHEDHN C[C@@H](NCC(C)(C)OCC1CC1)c1ccc(C#N)cc1F ZINC000414274284 1119961723 /nfs/dbraw/zinc/96/17/23/1119961723.db2.gz ROLXRPMOJVYTOK-GFCCVEGCSA-N 0 3 290.382 3.553 20 30 CHEDHN C=CCCC1(CNC(=O)c2ccc3c(c2)CNC3)CCCC1 ZINC000659334045 1120061434 /nfs/dbraw/zinc/06/14/34/1120061434.db2.gz BZHGQRHWFZEUTM-UHFFFAOYSA-N 0 3 298.430 3.546 20 30 CHEDHN COc1cccc([C@@H](C)N(C)Cc2ccc(C#N)cc2)c1 ZINC000123027150 1120106165 /nfs/dbraw/zinc/10/61/65/1120106165.db2.gz YTPIPCGEUZOIMW-CQSZACIVSA-N 0 3 280.371 3.760 20 30 CHEDHN Cc1cccc2c1CC[C@@H]2NCc1csc(C#N)c1 ZINC000921697014 1120136784 /nfs/dbraw/zinc/13/67/84/1120136784.db2.gz FJEGJRFBAIWJQX-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN C=CC[C@@H](C)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343842842 1120160534 /nfs/dbraw/zinc/16/05/34/1120160534.db2.gz RZJGQFGFIOXISV-HTQZYQBOSA-N 0 3 264.316 3.777 20 30 CHEDHN C=CCC[C@H](O)CN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000472782674 1120175347 /nfs/dbraw/zinc/17/53/47/1120175347.db2.gz CNENCDBBTOIKSE-AWEZNQCLSA-N 0 3 288.218 3.752 20 30 CHEDHN N#CCCCCNCc1csc(Cl)c1Cl ZINC000308853532 1120215305 /nfs/dbraw/zinc/21/53/05/1120215305.db2.gz IOSPOKOFDUOBMY-UHFFFAOYSA-N 0 3 263.193 3.838 20 30 CHEDHN CCC#C[C@@H](C)N(C)Cc1ccc(OC(F)F)cc1 ZINC000677047338 1120239921 /nfs/dbraw/zinc/23/99/21/1120239921.db2.gz WLOWYDRXMUUJNO-GFCCVEGCSA-N 0 3 267.319 3.522 20 30 CHEDHN CC(C)C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000307773320 1120247547 /nfs/dbraw/zinc/24/75/47/1120247547.db2.gz JPWJSYBYJHVHQJ-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@@H](NCCCCC#N)c1c(F)cccc1Cl ZINC000181748691 1128902590 /nfs/dbraw/zinc/90/25/90/1128902590.db2.gz SQECYWHMFQGQIO-SNVBAGLBSA-N 0 3 254.736 3.824 20 30 CHEDHN C#CC[C@@H](NCc1ccc(OC)cc1C)c1ccccc1 ZINC000921935207 1120289326 /nfs/dbraw/zinc/28/93/26/1120289326.db2.gz JOIRSPWJSVTWCR-LJQANCHMSA-N 0 3 279.383 3.858 20 30 CHEDHN CC(C)N(Cc1cn2ccccc2c1C#N)C1CCC1 ZINC000077358388 1120328747 /nfs/dbraw/zinc/32/87/47/1120328747.db2.gz TYHDEBHAZWXUJL-UHFFFAOYSA-N 0 3 267.376 3.574 20 30 CHEDHN C[C@H](NCc1csc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000922015248 1120334912 /nfs/dbraw/zinc/33/49/12/1120334912.db2.gz OBUZSJHWORXYRF-LBPRGKRZSA-N 0 3 285.416 3.537 20 30 CHEDHN C[C@@H](NCc1csc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000922015247 1120335533 /nfs/dbraw/zinc/33/55/33/1120335533.db2.gz OBUZSJHWORXYRF-GFCCVEGCSA-N 0 3 285.416 3.537 20 30 CHEDHN Cc1ccc([C@@H]2CCC[C@H]2NCC2(C#N)CC2)cc1 ZINC000584876000 1120475632 /nfs/dbraw/zinc/47/56/32/1120475632.db2.gz LUYGCTZADQVQRM-JKSUJKDBSA-N 0 3 254.377 3.525 20 30 CHEDHN N#Cc1cc(CNC[C@H]2CC[C@H](c3ccccc3)O2)cs1 ZINC000922222747 1120477078 /nfs/dbraw/zinc/47/70/78/1120477078.db2.gz STDNMRILZHABFL-NVXWUHKLSA-N 0 3 298.411 3.630 20 30 CHEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)c(C)c1 ZINC000922239062 1120480310 /nfs/dbraw/zinc/48/03/10/1120480310.db2.gz NAAKVWZUTGWDEV-UHFFFAOYSA-N 0 3 294.398 3.900 20 30 CHEDHN Cc1cc([C@H]2CCCN2CCCCC2(C#N)CCC2)on1 ZINC000929286965 1120488133 /nfs/dbraw/zinc/48/81/33/1120488133.db2.gz ADVLJBROALUJBV-OAHLLOKOSA-N 0 3 287.407 3.984 20 30 CHEDHN CC1(C)Cc2cccc(CN3CCC(CCC#N)CC3)c2O1 ZINC000563067221 1120496696 /nfs/dbraw/zinc/49/66/96/1120496696.db2.gz FFQCNEJVKLDKDM-UHFFFAOYSA-N 0 3 298.430 3.916 20 30 CHEDHN CC[C@@H](N[C@@H](CO)c1ccccc1C)c1ccc(C#N)cc1 ZINC000618571605 1128920474 /nfs/dbraw/zinc/92/04/74/1128920474.db2.gz XLMZSOSTAFLRFO-MOPGFXCFSA-N 0 3 294.398 3.641 20 30 CHEDHN CCCCCCCCCN1CCOC2(CCOCC2)C1 ZINC000192078261 1120534102 /nfs/dbraw/zinc/53/41/02/1120534102.db2.gz SDGLXTGLRKQKHU-UHFFFAOYSA-N 0 3 283.456 3.618 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCCCC1 ZINC000123442603 1120546856 /nfs/dbraw/zinc/54/68/56/1120546856.db2.gz CVPPROFYSURGNO-AWEZNQCLSA-N 0 3 295.386 3.720 20 30 CHEDHN C=C(C)CCNCc1ccsc1Br ZINC000388411261 1120565471 /nfs/dbraw/zinc/56/54/71/1120565471.db2.gz XUXUKFVOCLRXTH-UHFFFAOYSA-N 0 3 260.200 3.566 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000155072564 1120570728 /nfs/dbraw/zinc/57/07/28/1120570728.db2.gz BOFSDBMMFYAPST-LJQANCHMSA-N 0 3 291.398 3.635 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CNC(C)(C)/C=C\Cl)cc1 ZINC000922649822 1120572624 /nfs/dbraw/zinc/57/26/24/1120572624.db2.gz YTOCTRDGZKOHIY-LAUAKBEESA-N 0 3 278.783 3.598 20 30 CHEDHN C[C@H]1CCCCCN1Cc1ccc(C#N)cc1Cl ZINC000162911872 1120696824 /nfs/dbraw/zinc/69/68/24/1120696824.db2.gz QFZUHYGRQUTFJA-LBPRGKRZSA-N 0 3 262.784 3.976 20 30 CHEDHN C=CC[C@H]1CC[C@H](NCc2csc(CC)n2)C1 ZINC000651702240 1120716293 /nfs/dbraw/zinc/71/62/93/1120716293.db2.gz NGHMRRXXKBMRFW-RYUDHWBXSA-N 0 3 250.411 3.540 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(F)c(F)c1 ZINC000618743097 1128935495 /nfs/dbraw/zinc/93/54/95/1128935495.db2.gz WMCVQKFHDFIUDC-QGZVFWFLSA-N 0 3 284.309 3.614 20 30 CHEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1C#N ZINC000618741306 1128935842 /nfs/dbraw/zinc/93/58/42/1128935842.db2.gz DRLNRRHHBZDBRM-LJQANCHMSA-N 0 3 287.366 3.515 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](COC)c2ccc(C)o2)C1 ZINC000651728568 1120728939 /nfs/dbraw/zinc/72/89/39/1120728939.db2.gz CPMPJRPPRPIHLB-KFWWJZLASA-N 0 3 263.381 3.610 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000651736762 1120730862 /nfs/dbraw/zinc/73/08/62/1120730862.db2.gz HVQCZYCDCAQLLE-HUUCEWRRSA-N 0 3 273.424 3.833 20 30 CHEDHN COc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802447 1128938206 /nfs/dbraw/zinc/93/82/06/1128938206.db2.gz KMOOJVNFRSABHP-DJJJIMSYSA-N 0 3 292.382 3.905 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2occc21 ZINC000618803945 1128939814 /nfs/dbraw/zinc/93/98/14/1128939814.db2.gz JJYBEUTZESECRL-DLBZAZTESA-N 0 3 278.355 3.806 20 30 CHEDHN COc1cc(C#N)ccc1CN(C)C(C)(C)c1ccccc1 ZINC000585754341 1121028829 /nfs/dbraw/zinc/02/88/29/1121028829.db2.gz INHDQCYFRJXSFX-UHFFFAOYSA-N 0 3 294.398 3.934 20 30 CHEDHN C=CC[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC001174890174 1121065530 /nfs/dbraw/zinc/06/55/30/1121065530.db2.gz CVMAECSPGUUTGW-HNNXBMFYSA-N 0 3 259.780 3.590 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000625705249 1121065611 /nfs/dbraw/zinc/06/56/11/1121065611.db2.gz ZHQQOVCCJRAMLY-CYBMUJFWSA-N 0 3 286.350 3.879 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ccc(Br)cc2)C1 ZINC001174890262 1121069867 /nfs/dbraw/zinc/06/98/67/1121069867.db2.gz GPKHJDYZDIJYHP-GFCCVEGCSA-N 0 3 280.209 3.847 20 30 CHEDHN C[C@@H]1CCCCN1c1cccc(N[C@H]2CC[C@H](C#N)CC2)n1 ZINC001167842801 1121070886 /nfs/dbraw/zinc/07/08/86/1121070886.db2.gz RCXJQUNVLJLPKL-BZUAXINKSA-N 0 3 298.434 3.955 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ccc(Cl)cc2OC)C1 ZINC001174890760 1121081860 /nfs/dbraw/zinc/08/18/60/1121081860.db2.gz KVEBMGPUDBNCSB-GFCCVEGCSA-N 0 3 265.784 3.747 20 30 CHEDHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000344101463 1121082356 /nfs/dbraw/zinc/08/23/56/1121082356.db2.gz HRFXGZHJDYGAMP-IUCAKERBSA-N 0 3 274.261 3.689 20 30 CHEDHN COc1cc(C)cc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000182058904 1121084018 /nfs/dbraw/zinc/08/40/18/1121084018.db2.gz DUPITQICJCQVOG-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C=C(C)CN(CCCC(C)(C)C)Cc1ccc(CO)o1 ZINC000512176354 1121140824 /nfs/dbraw/zinc/14/08/24/1121140824.db2.gz CGWUJIWTBRHCMM-UHFFFAOYSA-N 0 3 279.424 3.976 20 30 CHEDHN C=C(C)CN(CCCC(C)C)Cc1ccc(CO)o1 ZINC000512191724 1121163551 /nfs/dbraw/zinc/16/35/51/1121163551.db2.gz ARCHCTXZXCASOW-UHFFFAOYSA-N 0 3 265.397 3.586 20 30 CHEDHN C#C[C@@H](NCc1cc2cccc(OC)c2o1)C(C)(C)C ZINC000702248011 1121186342 /nfs/dbraw/zinc/18/63/42/1121186342.db2.gz VHJKMUKYMWCMIZ-OAHLLOKOSA-N 0 3 271.360 3.579 20 30 CHEDHN Cc1cscc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000094877938 1121238199 /nfs/dbraw/zinc/23/81/99/1121238199.db2.gz FNSLZTOLRQUMNO-CYBMUJFWSA-N 0 3 286.400 3.810 20 30 CHEDHN CN(CCCCc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC001175249626 1121246868 /nfs/dbraw/zinc/24/68/68/1121246868.db2.gz HIWVACQOVCMBGD-IAGOWNOFSA-N 0 3 256.393 3.633 20 30 CHEDHN CN(CCCCc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC001175249627 1121247604 /nfs/dbraw/zinc/24/76/04/1121247604.db2.gz HIWVACQOVCMBGD-IRXDYDNUSA-N 0 3 256.393 3.633 20 30 CHEDHN C=CCc1cccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1[O-] ZINC001138625950 1128976261 /nfs/dbraw/zinc/97/62/61/1128976261.db2.gz YBDFGKGSZHEJGG-HIFRSBDPSA-N 0 3 293.357 3.598 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1[O-] ZINC001138625950 1128976266 /nfs/dbraw/zinc/97/62/66/1128976266.db2.gz YBDFGKGSZHEJGG-HIFRSBDPSA-N 0 3 293.357 3.598 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1ccccc1OC(F)(F)F ZINC000675933413 1121388302 /nfs/dbraw/zinc/38/83/02/1121388302.db2.gz DNRWFCBQFOEVLE-NXEZZACHSA-N 0 3 259.271 3.810 20 30 CHEDHN C#C[C@@H](NC1CCC(F)(F)CC1)c1ccc(F)cc1 ZINC000843408627 1121449353 /nfs/dbraw/zinc/44/93/53/1121449353.db2.gz FLHATMRGKSGLJQ-CQSZACIVSA-N 0 3 267.294 3.668 20 30 CHEDHN C=CCCC[C@@H](C)NCc1ccncc1Br ZINC000631107790 1128985511 /nfs/dbraw/zinc/98/55/11/1128985511.db2.gz GTGDJVDHECPAHO-LLVKDONJSA-N 0 3 283.213 3.679 20 30 CHEDHN C#CCC1(NCc2cccnc2Cl)CCCCC1 ZINC000922983572 1121503356 /nfs/dbraw/zinc/50/33/56/1121503356.db2.gz LKOJZSQOBJTUGC-UHFFFAOYSA-N 0 3 262.784 3.551 20 30 CHEDHN C#CCN(Cc1cc(=O)oc2cc(C)c(C)cc12)C(C)(C)C ZINC001176282428 1121585279 /nfs/dbraw/zinc/58/52/79/1121585279.db2.gz XORIWWYEDZPWGE-UHFFFAOYSA-N 0 3 297.398 3.644 20 30 CHEDHN C#CCN(Cc1cc(O)cc(C(F)(F)F)c1)C(C)(C)C ZINC001176288812 1121589670 /nfs/dbraw/zinc/58/96/70/1121589670.db2.gz STLNFVGGPKKLFG-UHFFFAOYSA-N 0 3 285.309 3.645 20 30 CHEDHN C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC(C)(C)C#N ZINC000619612195 1128998115 /nfs/dbraw/zinc/99/81/15/1128998115.db2.gz CREWESCEUYVJPX-NSHDSACASA-N 0 3 284.325 3.776 20 30 CHEDHN CN(CC1(C#N)CC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412004003 1121636268 /nfs/dbraw/zinc/63/62/68/1121636268.db2.gz BSHWEIGZSJIEOG-DLBZAZTESA-N 0 3 268.404 3.948 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000611438809 1121647452 /nfs/dbraw/zinc/64/74/52/1121647452.db2.gz WDWGUZYCNRVXBR-OKILXGFUSA-N 0 3 275.355 3.842 20 30 CHEDHN C=CCC[C@H]1CCCN1Cc1cn2c(cccc2C)n1 ZINC001176767858 1121694069 /nfs/dbraw/zinc/69/40/69/1121694069.db2.gz WMXXHFHSEMJLMY-INIZCTEOSA-N 0 3 269.392 3.573 20 30 CHEDHN C#C[C@@H]1CCCCN1C[C@@H](OC(C)C)c1ccccc1 ZINC001176832835 1121697766 /nfs/dbraw/zinc/69/77/66/1121697766.db2.gz KJBODHYUZHEMBG-QZTJIDSGSA-N 0 3 271.404 3.640 20 30 CHEDHN Cc1cc(C#N)ccc1CN1Cc2ccccc2C2(CC2)C1 ZINC000614406707 1121712512 /nfs/dbraw/zinc/71/25/12/1121712512.db2.gz CYTBLSLSELRKBG-UHFFFAOYSA-N 0 3 288.394 3.914 20 30 CHEDHN C=CC[C@H](NCc1ccc(C)s1)c1ccncc1 ZINC001177885011 1121755569 /nfs/dbraw/zinc/75/55/69/1121755569.db2.gz LUGMYZWGUIVEST-HNNXBMFYSA-N 0 3 258.390 3.859 20 30 CHEDHN N#CCOc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1 ZINC000729267512 1121771100 /nfs/dbraw/zinc/77/11/00/1121771100.db2.gz VHENOYOZOACVDN-QGZVFWFLSA-N 0 3 298.411 3.988 20 30 CHEDHN CCCCCCCCCCC(=O)N[C@H]1CN(C)CC1(C)C ZINC001178708836 1121809290 /nfs/dbraw/zinc/80/92/90/1121809290.db2.gz HTKRJHLRJQQLGH-INIZCTEOSA-N 0 3 296.499 3.974 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N)ncc1Cl ZINC000894233504 1121835285 /nfs/dbraw/zinc/83/52/85/1121835285.db2.gz CVGHQLCESNKRCF-AWEZNQCLSA-N 0 3 298.777 3.678 20 30 CHEDHN Cc1ccc(CNCc2ccc(F)cc2C)cc1C#N ZINC001179562911 1121887004 /nfs/dbraw/zinc/88/70/04/1121887004.db2.gz YWJNKKGQDKBEOV-UHFFFAOYSA-N 0 3 268.335 3.604 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(C(C)(C)C)s1 ZINC000280599093 1121914093 /nfs/dbraw/zinc/91/40/93/1121914093.db2.gz JCYDVMWMCKIOMP-WFASDCNBSA-N 0 3 294.464 3.511 20 30 CHEDHN C=CCO[C@H]1CCN(C/C=C/c2cc(C)c(C)cc2C)C1 ZINC001180317958 1121973214 /nfs/dbraw/zinc/97/32/14/1121973214.db2.gz SSBBBPHRSPFQJJ-GHOSXJJBSA-N 0 3 285.431 3.902 20 30 CHEDHN C=CC[N@@H+](CCc1ccccc1)Cc1ccc([O-])c(F)c1 ZINC001180280691 1121975418 /nfs/dbraw/zinc/97/54/18/1121975418.db2.gz LVPSIMSTMUGXOV-UHFFFAOYSA-N 0 3 285.362 3.762 20 30 CHEDHN C=CC[N@H+](CCc1ccccc1)Cc1ccc([O-])c(F)c1 ZINC001180280691 1121975423 /nfs/dbraw/zinc/97/54/23/1121975423.db2.gz LVPSIMSTMUGXOV-UHFFFAOYSA-N 0 3 285.362 3.762 20 30 CHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000618807255 1122056092 /nfs/dbraw/zinc/05/60/92/1122056092.db2.gz WSSVNVIHISPYSC-YJYMSZOUSA-N 0 3 287.366 3.768 20 30 CHEDHN C#C[C@H](NC1C[C@H]2CC[C@@H](C1)S2)c1ccc(F)cc1 ZINC001182020960 1122107539 /nfs/dbraw/zinc/10/75/39/1122107539.db2.gz RPFUTNRKZQGEGH-UYTSQGDYSA-N 0 3 275.392 3.516 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)NCc1csc(C)n1 ZINC000414534771 1122141964 /nfs/dbraw/zinc/14/19/64/1122141964.db2.gz KMNFREGHLSVYBU-OAHLLOKOSA-N 0 3 272.417 3.729 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncc(C)s1 ZINC000414539194 1122145598 /nfs/dbraw/zinc/14/55/98/1122145598.db2.gz RTRAWXUGXGRIAI-HNNXBMFYSA-N 0 3 272.417 3.729 20 30 CHEDHN c1ccc(CCCNN=C2CCCNc3ccccc32)cc1 ZINC000774386232 1122159279 /nfs/dbraw/zinc/15/92/79/1122159279.db2.gz VVRTVHAUNWVDKQ-UHFFFAOYSA-N 0 3 293.414 3.819 20 30 CHEDHN CSC1(CNCc2cccc(F)c2C#N)CCCCC1 ZINC001183842595 1122241468 /nfs/dbraw/zinc/24/14/68/1122241468.db2.gz CSDRKLNVFMFNTK-UHFFFAOYSA-N 0 3 292.423 3.853 20 30 CHEDHN Cc1cc(OCCC[C@H](C)NCCC#N)ccc1Cl ZINC000338959917 1122327319 /nfs/dbraw/zinc/32/73/19/1122327319.db2.gz YQXHDHGYMVACRW-ZDUSSCGKSA-N 0 3 280.799 3.699 20 30 CHEDHN COc1ccc(CN2CC3(CCC3)[C@@H]2C(C)C)cc1C#N ZINC000430108611 1122406578 /nfs/dbraw/zinc/40/65/78/1122406578.db2.gz UKGIGCKGYMMRSI-KRWDZBQOSA-N 0 3 284.403 3.577 20 30 CHEDHN C=CCCC(C)(C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000664470745 1122436052 /nfs/dbraw/zinc/43/60/52/1122436052.db2.gz GQJNPOFLHSSHKI-UHFFFAOYSA-N 0 3 289.423 3.615 20 30 CHEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(N(C)C)cc1 ZINC000775363270 1122528720 /nfs/dbraw/zinc/52/87/20/1122528720.db2.gz MAHBGDOXCBUPND-LBPRGKRZSA-N 0 3 285.416 3.537 20 30 CHEDHN C#CC[C@@H](NC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775399510 1122545388 /nfs/dbraw/zinc/54/53/88/1122545388.db2.gz RYHCIAPWDCKXIV-CHWSQXEVSA-N 0 3 268.187 3.534 20 30 CHEDHN C=CCC[C@@H](O)CN(CCCC)Cc1ccccc1F ZINC001190752571 1122553388 /nfs/dbraw/zinc/55/33/88/1122553388.db2.gz LPMQVCFLQOLMAD-MRXNPFEDSA-N 0 3 279.399 3.755 20 30 CHEDHN CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1[O-] ZINC000775413010 1122555171 /nfs/dbraw/zinc/55/51/71/1122555171.db2.gz UJYZEIANOWVHSV-MRXNPFEDSA-N 0 3 284.334 3.644 20 30 CHEDHN CC[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1O ZINC000775413010 1122555174 /nfs/dbraw/zinc/55/51/74/1122555174.db2.gz UJYZEIANOWVHSV-MRXNPFEDSA-N 0 3 284.334 3.644 20 30 CHEDHN CCCc1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000506028714 1122628162 /nfs/dbraw/zinc/62/81/62/1122628162.db2.gz XVDWPENDNXDNNG-UHFFFAOYSA-N 0 3 256.393 3.765 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000437412581 1122633212 /nfs/dbraw/zinc/63/32/12/1122633212.db2.gz PQHASNFHADQBAH-UHFFFAOYSA-N 0 3 280.318 3.532 20 30 CHEDHN C#CCN[C@@H](CCC=C)c1ccc(C(F)(F)F)cc1 ZINC000775554322 1122661224 /nfs/dbraw/zinc/66/12/24/1122661224.db2.gz WTBLSSXXEMVHSS-AWEZNQCLSA-N 0 3 267.294 3.936 20 30 CHEDHN CC(C)(C)C1=CCN(CCOc2cccc(C#N)c2)CC1 ZINC001193022316 1122671110 /nfs/dbraw/zinc/67/11/10/1122671110.db2.gz RMJSGCDABFAMDB-UHFFFAOYSA-N 0 3 284.403 3.615 20 30 CHEDHN C=C(C)[C@H](NCC[C@@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC001193574518 1122698829 /nfs/dbraw/zinc/69/88/29/1122698829.db2.gz HNTHTCOTEQTHGS-CVEARBPZSA-N 0 3 283.362 3.579 20 30 CHEDHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C1 ZINC000429594442 1122729274 /nfs/dbraw/zinc/72/92/74/1122729274.db2.gz XQBLSLMNWUXGBQ-IAQYHMDHSA-N 0 3 262.784 3.832 20 30 CHEDHN CCCCCCCOC(=O)N(CC)C1CCN(C)CC1 ZINC001194003242 1122737311 /nfs/dbraw/zinc/73/73/11/1122737311.db2.gz OMAQNILWVPHAGX-UHFFFAOYSA-N 0 3 284.444 3.510 20 30 CHEDHN CN(Cc1ccc(C#N)cc1Cl)C[C@H]1CC=CCC1 ZINC000439432864 1122778646 /nfs/dbraw/zinc/77/86/46/1122778646.db2.gz WSEIMYMADCTRHI-ZDUSSCGKSA-N 0 3 274.795 4.000 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cc2cc(OC)ccc2o1 ZINC000426541420 1122816413 /nfs/dbraw/zinc/81/64/13/1122816413.db2.gz BHUNPKGUEXIWBY-CQSZACIVSA-N 0 3 271.360 3.982 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cccc(OCCCC#N)c1 ZINC000426551834 1122819683 /nfs/dbraw/zinc/81/96/83/1122819683.db2.gz HUMSYMNEWUKBCT-QGZVFWFLSA-N 0 3 284.403 3.910 20 30 CHEDHN C#CC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC001195463897 1122869962 /nfs/dbraw/zinc/86/99/62/1122869962.db2.gz OYRGEPZZCACJHR-UHFFFAOYSA-N 0 3 267.294 3.551 20 30 CHEDHN C#Cc1ccc(CNCc2ccc(CC(C)C)nc2)cc1 ZINC000894669344 1122887735 /nfs/dbraw/zinc/88/77/35/1122887735.db2.gz ZCYXBXHGUVMWFQ-UHFFFAOYSA-N 0 3 278.399 3.551 20 30 CHEDHN C=C(C)[C@H](NCC1(O)CCCCC1)c1ccc(F)c(F)c1 ZINC000775725051 1122926115 /nfs/dbraw/zinc/92/61/15/1122926115.db2.gz SKCGQFVIVJSHDL-INIZCTEOSA-N 0 3 295.373 3.867 20 30 CHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccc(C#N)cc1 ZINC000266519951 1122938884 /nfs/dbraw/zinc/93/88/84/1122938884.db2.gz ZJMUYHKEDQFGKW-ZIAGYGMSSA-N 0 3 292.382 3.905 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](C3CCC3)CC2)o1 ZINC001197201404 1122947543 /nfs/dbraw/zinc/94/75/43/1122947543.db2.gz DBBUTUCSFKZGDE-AWEZNQCLSA-N 0 3 258.365 3.553 20 30 CHEDHN C#C[C@H]1CCCCN1Cc1ccccc1CC(C)C ZINC001198526379 1122996271 /nfs/dbraw/zinc/99/62/71/1122996271.db2.gz RSIFXNUXFRREOY-SFHVURJKSA-N 0 3 255.405 3.873 20 30 CHEDHN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cnc1F ZINC000894964494 1123093886 /nfs/dbraw/zinc/09/38/86/1123093886.db2.gz SEILGGMGKRPZKV-KRWDZBQOSA-N 0 3 295.361 3.568 20 30 CHEDHN CCc1cc(Nc2ccc(C(F)(F)F)cc2C#N)ccn1 ZINC001201691141 1123142479 /nfs/dbraw/zinc/14/24/79/1123142479.db2.gz FQCVNBLVTQDFHE-UHFFFAOYSA-N 0 3 291.276 3.700 20 30 CHEDHN C=CCCOCCN[C@H]1C[C@H](C)Sc2sccc21 ZINC000090883962 1123156514 /nfs/dbraw/zinc/15/65/14/1123156514.db2.gz OIONLBSQKNPCCB-AAEUAGOBSA-N 0 3 283.462 3.856 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(Cl)c1N ZINC001202241329 1123193383 /nfs/dbraw/zinc/19/33/83/1123193383.db2.gz AQHPZUUEJKBLOD-INIZCTEOSA-N 0 3 297.789 3.571 20 30 CHEDHN Cc1nc(C)c([C@@H](C)NCc2ccc(CC#N)cc2)s1 ZINC000399026171 1123208697 /nfs/dbraw/zinc/20/86/97/1123208697.db2.gz JHCVYAJHODPCQY-LLVKDONJSA-N 0 3 285.416 3.677 20 30 CHEDHN CCCCCCCC[C@@H](O)CNCc1ncccc1C ZINC001252120295 1123220376 /nfs/dbraw/zinc/22/03/76/1123220376.db2.gz RUEUAVMDPKZWRX-MRXNPFEDSA-N 0 3 278.440 3.591 20 30 CHEDHN C=CC[C@@H](NCc1cc(COC)cs1)c1ccncc1 ZINC000850137878 1123244084 /nfs/dbraw/zinc/24/40/84/1123244084.db2.gz UVVQYYMNIJQHQT-MRXNPFEDSA-N 0 3 288.416 3.697 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000850342003 1123254852 /nfs/dbraw/zinc/25/48/52/1123254852.db2.gz PCLUKACVIAEBNE-WFASDCNBSA-N 0 3 260.381 3.777 20 30 CHEDHN CC(C)(C)C[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930225578 1123279258 /nfs/dbraw/zinc/27/92/58/1123279258.db2.gz COXNGIUBHOMIKV-HUUCEWRRSA-N 0 3 294.826 3.681 20 30 CHEDHN C=CCC[C@H](N[C@H]1COC2(CCC2)C1)c1ccco1 ZINC000850523180 1123279652 /nfs/dbraw/zinc/27/96/52/1123279652.db2.gz BVWDOUZKUSNNMC-KGLIPLIRSA-N 0 3 261.365 3.588 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCCC2(CC2)C1)c1nc2ccccc2[nH]1 ZINC000850738533 1123297166 /nfs/dbraw/zinc/29/71/66/1123297166.db2.gz NAUGJYOSOPIXIL-CHWSQXEVSA-N 0 3 293.370 3.710 20 30 CHEDHN C/C(=C/c1ccccc1)CN1CCC(C)(C#N)CC1 ZINC000335312884 1123355680 /nfs/dbraw/zinc/35/56/80/1123355680.db2.gz DJKHJGFUWBCHRS-QINSGFPZSA-N 0 3 254.377 3.716 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852410108 1123404449 /nfs/dbraw/zinc/40/44/49/1123404449.db2.gz IADYUTVNEBECME-LBPRGKRZSA-N 0 3 278.327 3.522 20 30 CHEDHN C=CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C ZINC000852554217 1123408836 /nfs/dbraw/zinc/40/88/36/1123408836.db2.gz GWQVEEOUTILMDM-UHFFFAOYSA-N 0 3 266.316 3.520 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1csc(Cl)c1 ZINC000191380757 1123425299 /nfs/dbraw/zinc/42/52/99/1123425299.db2.gz YFEZGYXTZZUPPI-JTQLQIEISA-N 0 3 259.802 3.645 20 30 CHEDHN CC(C)[C@H](c1ccccc1Cl)N(C)CCOCCC#N ZINC000338997514 1123563569 /nfs/dbraw/zinc/56/35/69/1123563569.db2.gz NMELLSNEACMFKG-MRXNPFEDSA-N 0 3 294.826 3.899 20 30 CHEDHN C#Cc1ccc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896227844 1123563978 /nfs/dbraw/zinc/56/39/78/1123563978.db2.gz PITNAXVIUWNHEQ-CQSZACIVSA-N 0 3 297.295 3.534 20 30 CHEDHN CC[C@@H]1c2ccsc2CCN1CCC(C)(C)C#N ZINC000157674745 1129132168 /nfs/dbraw/zinc/13/21/68/1129132168.db2.gz HAAKOIZXCCVNTN-CYBMUJFWSA-N 0 3 262.422 3.997 20 30 CHEDHN C=CCCSCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000857914951 1123627126 /nfs/dbraw/zinc/62/71/26/1123627126.db2.gz RJBAJNKWHIAKOM-LBPRGKRZSA-N 0 3 282.840 3.621 20 30 CHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000192146526 1123635396 /nfs/dbraw/zinc/63/53/96/1123635396.db2.gz BZJVBZRAYRMNDB-LBPRGKRZSA-N 0 3 254.308 3.548 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000216426778 1123642484 /nfs/dbraw/zinc/64/24/84/1123642484.db2.gz PNAZKKOZFKJUGC-UHFFFAOYSA-N 0 3 281.403 3.663 20 30 CHEDHN C#CC[C@H](CCOC)NCc1cccc(Cl)c1Cl ZINC000858331505 1123645913 /nfs/dbraw/zinc/64/59/13/1123645913.db2.gz DIEANPAVFIJVGH-GFCCVEGCSA-N 0 3 286.202 3.511 20 30 CHEDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000329876830 1123656821 /nfs/dbraw/zinc/65/68/21/1123656821.db2.gz IKNVUIIHWLBOSB-STQMWFEESA-N 0 3 298.390 3.538 20 30 CHEDHN COc1cc([C@H](C)NCc2ccc(C)c(C#N)c2)ccc1F ZINC000859233085 1123692085 /nfs/dbraw/zinc/69/20/85/1123692085.db2.gz DLQVOKZTNRNKBI-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN C#CCCCN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000840725427 1123742046 /nfs/dbraw/zinc/74/20/46/1123742046.db2.gz AWSDEICPDJSXOH-ZDUSSCGKSA-N 0 3 270.401 3.874 20 30 CHEDHN C=CCC[C@H](C)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000475087086 1123791568 /nfs/dbraw/zinc/79/15/68/1123791568.db2.gz JJALSEDWJYNVCV-INIZCTEOSA-N 0 3 287.451 3.595 20 30 CHEDHN Cc1c(F)nccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000862396345 1123807779 /nfs/dbraw/zinc/80/77/79/1123807779.db2.gz MKEPECUYJFKAEK-KRWDZBQOSA-N 0 3 295.361 3.568 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCCC[C@H]1c1cccn1C ZINC000186247949 1123818943 /nfs/dbraw/zinc/81/89/43/1123818943.db2.gz XNAYLWHEYPDERL-IBGZPJMESA-N 0 3 293.414 3.932 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2occc21)c1ccc(OCC#N)cc1 ZINC000192955812 1123867835 /nfs/dbraw/zinc/86/78/35/1123867835.db2.gz WWFDKLUPKHUWLX-DYVFJYSZSA-N 0 3 296.370 3.910 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2sccc2Br)C1 ZINC000192977933 1123868312 /nfs/dbraw/zinc/86/83/12/1123868312.db2.gz GVHYKWOJUUYZDC-UWVGGRQHSA-N 0 3 299.237 3.683 20 30 CHEDHN Cc1cccc(N2CCN(CC(C)(C)CCC#N)CC2)c1C ZINC000158919197 1129154836 /nfs/dbraw/zinc/15/48/36/1129154836.db2.gz BLVXFBSBEDWZNA-UHFFFAOYSA-N 0 3 299.462 3.755 20 30 CHEDHN CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(C)cc1[O-] ZINC000794799255 1123950670 /nfs/dbraw/zinc/95/06/70/1123950670.db2.gz ZYGMFTXRRBFAAW-QGZVFWFLSA-N 0 3 280.371 3.813 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(OC)c(OC)cc1SC ZINC000158990132 1129155880 /nfs/dbraw/zinc/15/58/80/1129155880.db2.gz SQRCDMWCYJIZGZ-UHFFFAOYSA-N 0 3 295.448 3.824 20 30 CHEDHN C=CCCCCCN(C)Cc1cncc(Cl)c1 ZINC000621259320 1129157314 /nfs/dbraw/zinc/15/73/14/1129157314.db2.gz RMZZPYZARJOQCG-UHFFFAOYSA-N 0 3 252.789 3.913 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc(C(C)(C)C)cs1 ZINC000865551992 1123994265 /nfs/dbraw/zinc/99/42/65/1123994265.db2.gz BHTHXTWYNGXUHR-WFASDCNBSA-N 0 3 294.464 3.511 20 30 CHEDHN Clc1ccc([C@@H]2CCCCCC2=Nn2cnnc2)cc1 ZINC000794857732 1124004996 /nfs/dbraw/zinc/00/49/96/1124004996.db2.gz WYXRGJBOUXVXJC-AWEZNQCLSA-N 0 3 288.782 3.884 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OC(F)F)cc2F)C1 ZINC000866541734 1124080330 /nfs/dbraw/zinc/08/03/30/1124080330.db2.gz RUOWCUSEXZGAPX-JQWIXIFHSA-N 0 3 298.308 3.599 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1nn(C)cc1C(F)F ZINC000866568475 1124083980 /nfs/dbraw/zinc/08/39/80/1124083980.db2.gz VSGQAXIXIVKLOW-GFCCVEGCSA-N 0 3 285.382 3.972 20 30 CHEDHN CC(C)C[C@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428415247 1124098072 /nfs/dbraw/zinc/09/80/72/1124098072.db2.gz YTRREWRJENYSLO-CQSZACIVSA-N 0 3 260.356 3.708 20 30 CHEDHN CCS[C@H]1CCCC[C@H]1NCc1cccc(F)c1C#N ZINC000428433200 1124110296 /nfs/dbraw/zinc/11/02/96/1124110296.db2.gz GTRUJPBWGDESCP-CVEARBPZSA-N 0 3 292.423 3.851 20 30 CHEDHN C=CCN(Cc1ccc(C(F)(F)F)cc1)[C@H](C)COC ZINC000621317643 1129166931 /nfs/dbraw/zinc/16/69/31/1129166931.db2.gz PSEDNCCBUVQWPI-GFCCVEGCSA-N 0 3 287.325 3.728 20 30 CHEDHN N#Cc1ccc(F)c(CN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000525637094 1124451177 /nfs/dbraw/zinc/45/11/77/1124451177.db2.gz YULFCOINYSIOOQ-KRWDZBQOSA-N 0 3 294.373 3.762 20 30 CHEDHN C=CCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470000704 1124456698 /nfs/dbraw/zinc/45/66/98/1124456698.db2.gz SFIWVBJCIKDMPC-LLVKDONJSA-N 0 3 272.175 3.633 20 30 CHEDHN CCCCCn1cc(CN[C@@H]2CCC[C@@H](C#N)C2)c(C)n1 ZINC000447589315 1124493912 /nfs/dbraw/zinc/49/39/12/1124493912.db2.gz XMORZFFEJIGKQV-NVXWUHKLSA-N 0 3 288.439 3.554 20 30 CHEDHN C=C[C@H](C)NCc1cnc(CCc2ccccc2)s1 ZINC000449192631 1124664032 /nfs/dbraw/zinc/66/40/32/1124664032.db2.gz RHOPASMJRWNKBJ-ZDUSSCGKSA-N 0 3 272.417 3.592 20 30 CHEDHN C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc([O-])c1F ZINC000872070543 1124674699 /nfs/dbraw/zinc/67/46/99/1124674699.db2.gz FYQHMULWPSXMFT-LLVKDONJSA-N 0 3 264.344 3.512 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccco1 ZINC000872108408 1124684783 /nfs/dbraw/zinc/68/47/83/1124684783.db2.gz TZBUMFVBADDOLO-FXUDXRNXSA-N 0 3 275.392 3.834 20 30 CHEDHN C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872131005 1124691547 /nfs/dbraw/zinc/69/15/47/1124691547.db2.gz UXHNZDQNJBNJQN-NQBHXWOUSA-N 0 3 297.324 3.833 20 30 CHEDHN CN(Cc1c(O)ccc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000872680451 1124725424 /nfs/dbraw/zinc/72/54/24/1124725424.db2.gz HQIBOAOEEHSXDC-WMLDXEAASA-N 0 3 280.371 3.669 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(F)c2)cc1 ZINC000124302760 1124732476 /nfs/dbraw/zinc/73/24/76/1124732476.db2.gz IQTFQJUNDATALA-CQSZACIVSA-N 0 3 283.346 3.689 20 30 CHEDHN C=CC(C)(C)CCCNCc1nccn1CC(F)(F)F ZINC000873151636 1124743133 /nfs/dbraw/zinc/74/31/33/1124743133.db2.gz NOROZTAUZKGFSC-UHFFFAOYSA-N 0 3 289.345 3.527 20 30 CHEDHN C#C[C@H]1CC[C@H](NCc2c(Cl)cncc2Cl)CC1 ZINC000873197872 1124751601 /nfs/dbraw/zinc/75/16/01/1124751601.db2.gz HDWUZUKNQXZPEO-XYPYZODXSA-N 0 3 283.202 3.670 20 30 CHEDHN CCC[C@H](CC)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000873498358 1124773137 /nfs/dbraw/zinc/77/31/37/1124773137.db2.gz AAAFGARUPJFFHC-NWDGAFQWSA-N 0 3 270.332 3.830 20 30 CHEDHN CCC1(C(=O)C(C#N)c2ncc(F)cc2F)CCCC1 ZINC001123475282 1131315587 /nfs/dbraw/zinc/31/55/87/1131315587.db2.gz DOYHJYFVEZJFRB-NSHDSACASA-N 0 3 278.302 3.506 20 30 CHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1CCC(C)C ZINC000876630384 1124965744 /nfs/dbraw/zinc/96/57/44/1124965744.db2.gz YAWWWPYTVARMMH-AWEZNQCLSA-N 0 3 294.826 3.684 20 30 CHEDHN C#CCCCCCCNC(C)(C)c1nccs1 ZINC000877035512 1125000422 /nfs/dbraw/zinc/00/04/22/1125000422.db2.gz HOQCZKUJUXSLHM-UHFFFAOYSA-N 0 3 250.411 3.552 20 30 CHEDHN C#CCCCCCCN[C@@](C)(CC)c1nccs1 ZINC000877049356 1125003744 /nfs/dbraw/zinc/00/37/44/1125003744.db2.gz TVBXFMBLPVROFJ-HNNXBMFYSA-N 0 3 264.438 3.942 20 30 CHEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCCC2(F)F)c1 ZINC000877556052 1125045233 /nfs/dbraw/zinc/04/52/33/1125045233.db2.gz KEDNZWVKFKJKQV-LBPRGKRZSA-N 0 3 299.752 3.522 20 30 CHEDHN C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1[O-] ZINC000877755817 1125071722 /nfs/dbraw/zinc/07/17/22/1125071722.db2.gz NUUSYZAKJGOMLM-CQSZACIVSA-N 0 3 292.382 3.798 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1C[C@@H](OC)C1 ZINC000877902840 1125098438 /nfs/dbraw/zinc/09/84/38/1125098438.db2.gz GFSVQNUTDGACDQ-TXEJJXNPSA-N 0 3 285.840 3.815 20 30 CHEDHN C=CCN(C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000450770522 1125100996 /nfs/dbraw/zinc/10/09/96/1125100996.db2.gz ZAZDUXVIXZCXSN-NSHDSACASA-N 0 3 257.299 3.970 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1C[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000878154573 1125125331 /nfs/dbraw/zinc/12/53/31/1125125331.db2.gz ZDAZNUQIIIWSFI-TXPKVOOTSA-N 0 3 298.430 3.547 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878886708 1125183127 /nfs/dbraw/zinc/18/31/27/1125183127.db2.gz NYAHCIMGYSUGGC-RYQLBKOJSA-N 0 3 284.403 3.532 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878886709 1125183536 /nfs/dbraw/zinc/18/35/36/1125183536.db2.gz NYAHCIMGYSUGGC-SZMVWBNQSA-N 0 3 284.403 3.532 20 30 CHEDHN C=CCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)C(C)(C)C ZINC000878950800 1125187419 /nfs/dbraw/zinc/18/74/19/1125187419.db2.gz ZIGVRUPKNVTMJK-LJQANCHMSA-N 0 3 298.430 3.714 20 30 CHEDHN C=C(Br)CNC1CC(c2ccccc2F)C1 ZINC000127474703 1125191243 /nfs/dbraw/zinc/19/12/43/1125191243.db2.gz ZELCZLVADHNIAA-UHFFFAOYSA-N 0 3 284.172 3.570 20 30 CHEDHN CC[C@@H](NCCC(C)(C)C#N)c1cccc(OC)c1OC ZINC000879466848 1125214963 /nfs/dbraw/zinc/21/49/63/1125214963.db2.gz XQUDWSHSRWMYEK-CQSZACIVSA-N 0 3 290.407 3.684 20 30 CHEDHN Cc1ccc(CC(=O)C(C#N)c2nc3ccccc3s2)o1 ZINC000760150976 1125275615 /nfs/dbraw/zinc/27/56/15/1125275615.db2.gz IOURALYKNTUAIM-LBPRGKRZSA-N 0 3 296.351 3.617 20 30 CHEDHN C#CC[C@H](NCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000756996845 1125305535 /nfs/dbraw/zinc/30/55/35/1125305535.db2.gz SHFOOIZHAQKUPT-KRWDZBQOSA-N 0 3 295.382 3.558 20 30 CHEDHN C=C(Cl)CN[C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000163365047 1125310451 /nfs/dbraw/zinc/31/04/51/1125310451.db2.gz TVJNAGXZNBUTPB-LLVKDONJSA-N 0 3 289.753 3.951 20 30 CHEDHN CCN(Cc1cc(C#N)n(C)c1)Cc1cccc(Cl)c1 ZINC000191232444 1125347223 /nfs/dbraw/zinc/34/72/23/1125347223.db2.gz BHBNMYLRARJWNU-UHFFFAOYSA-N 0 3 287.794 3.572 20 30 CHEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nccs1 ZINC000883174741 1125375035 /nfs/dbraw/zinc/37/50/35/1125375035.db2.gz RHIQPAYECXVKHV-HNNXBMFYSA-N 0 3 272.417 3.810 20 30 CHEDHN C=CCC[C@H](NCc1ccc(C)nc1Cl)[C@@H]1CCCO1 ZINC000883301654 1125392247 /nfs/dbraw/zinc/39/22/47/1125392247.db2.gz GANRYBFIBGPKFN-GJZGRUSLSA-N 0 3 294.826 3.647 20 30 CHEDHN C=CCCCCCC[C@H](O)CNCc1ccoc1C ZINC001253252421 1125425771 /nfs/dbraw/zinc/42/57/71/1125425771.db2.gz WOMUXMTZCJGQNX-INIZCTEOSA-N 0 3 265.397 3.565 20 30 CHEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(CC#N)cc1 ZINC000348246567 1125429985 /nfs/dbraw/zinc/42/99/85/1125429985.db2.gz RDUPXKIOTRAHHQ-BXUZGUMPSA-N 0 3 282.309 3.525 20 30 CHEDHN CCS[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC000125140754 1125445041 /nfs/dbraw/zinc/44/50/41/1125445041.db2.gz RTHJMSLSANCTEK-ZDUSSCGKSA-N 0 3 280.462 3.727 20 30 CHEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccccc2Cl)o1 ZINC000184263601 1129179891 /nfs/dbraw/zinc/17/98/91/1129179891.db2.gz MVXHNIUULPUMQL-LBPRGKRZSA-N 0 3 291.778 3.627 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1C#N ZINC000087822483 1129194567 /nfs/dbraw/zinc/19/45/67/1129194567.db2.gz MXMBNKGQQCUGAF-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1C#N ZINC000087822485 1129194635 /nfs/dbraw/zinc/19/46/35/1129194635.db2.gz MXMBNKGQQCUGAF-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1cccs1 ZINC000037748780 1129263917 /nfs/dbraw/zinc/26/39/17/1129263917.db2.gz DJSGEAJGWKIEQY-CQSZACIVSA-N 0 3 256.374 3.861 20 30 CHEDHN C=C(C)CN(C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000638909014 1129275268 /nfs/dbraw/zinc/27/52/68/1129275268.db2.gz CAJAWPOQFLJIHF-UHFFFAOYSA-N 0 3 262.303 3.521 20 30 CHEDHN C=CCOc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1 ZINC000348060653 1129278628 /nfs/dbraw/zinc/27/86/28/1129278628.db2.gz UXQWKIQXVZVJDE-HNNXBMFYSA-N 0 3 282.387 3.839 20 30 CHEDHN C=C(CC)CNCc1ccc2ccc(F)c(F)c2n1 ZINC000639239395 1129296316 /nfs/dbraw/zinc/29/63/16/1129296316.db2.gz JKEORSFHTYNQCN-UHFFFAOYSA-N 0 3 262.303 3.569 20 30 CHEDHN C#CCOc1ccccc1CNCc1ccc(C)c(C)c1 ZINC000734159774 1129297273 /nfs/dbraw/zinc/29/72/73/1129297273.db2.gz XVCQMBAGGJQBIO-UHFFFAOYSA-N 0 3 279.383 3.605 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC=CCC2)c([O-])c1 ZINC000735978849 1129361345 /nfs/dbraw/zinc/36/13/45/1129361345.db2.gz MYKJPDBSDVGFAK-COYFKBPASA-N 0 3 272.392 3.766 20 30 CHEDHN C#CCOc1ccc(CN(C)[C@H](C)c2cccc(O)c2)cc1 ZINC000093315846 1129421532 /nfs/dbraw/zinc/42/15/32/1129421532.db2.gz QFPGRNOQVBKPGC-OAHLLOKOSA-N 0 3 295.382 3.597 20 30 CHEDHN CCCCCCCCN(C)Cc1cnn(CC)c1 ZINC000740878209 1129423079 /nfs/dbraw/zinc/42/30/79/1129423079.db2.gz UBROBQSGTSUNAI-UHFFFAOYSA-N 0 3 251.418 3.695 20 30 CHEDHN CCCCCCCCCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000741626562 1129446489 /nfs/dbraw/zinc/44/64/89/1129446489.db2.gz ZOCXAQUZTFKTCW-MRXNPFEDSA-N 0 3 282.472 3.680 20 30 CHEDHN C[C@@H]1Cc2ccccc2CN1Cc1ccc(OCC#N)cc1 ZINC000741797347 1129453813 /nfs/dbraw/zinc/45/38/13/1129453813.db2.gz KGNBHPGLKZMIMY-OAHLLOKOSA-N 0 3 292.382 3.536 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cccc(OC)n1 ZINC001137533413 1131376221 /nfs/dbraw/zinc/37/62/21/1131376221.db2.gz UWTSPMRFNCLGEP-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN C#CCN(CCC)Cc1ccc(OCCC)c(OCC)c1 ZINC000302844691 1129504313 /nfs/dbraw/zinc/50/43/13/1129504313.db2.gz AFRHOBLUIVIXAM-UHFFFAOYSA-N 0 3 289.419 3.719 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccccn1 ZINC000796784439 1129509546 /nfs/dbraw/zinc/50/95/46/1129509546.db2.gz UXBZBFSUTGWGBN-QXSJWSMHSA-N 0 3 282.387 3.864 20 30 CHEDHN C=CCCCCN1CCCC[C@]12CC(=O)N([C@H](C)CC)C2 ZINC001276346380 1129541521 /nfs/dbraw/zinc/54/15/21/1129541521.db2.gz TXOZIOJVUNIOEI-SJLPKXTDSA-N 0 3 292.467 3.598 20 30 CHEDHN COc1ccc(CNCc2ccc3occc3c2)cc1C#N ZINC000796338161 1129546783 /nfs/dbraw/zinc/54/67/83/1129546783.db2.gz IZCYPAIYNXGEHG-UHFFFAOYSA-N 0 3 292.338 3.603 20 30 CHEDHN C=CCN(Cc1ccc(-c2ccccn2)nc1)C(C)C ZINC000822583143 1131385772 /nfs/dbraw/zinc/38/57/72/1131385772.db2.gz JNBHVNJBTHZPKG-UHFFFAOYSA-N 0 3 267.376 3.540 20 30 CHEDHN COc1ccc(CN(C)[C@H]2CC[C@H](C)CC2)c(C#N)c1 ZINC001137706609 1131405063 /nfs/dbraw/zinc/40/50/63/1131405063.db2.gz JPDRYOCZNFAAIQ-SAZUREKKSA-N 0 3 272.392 3.577 20 30 CHEDHN C#CC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137714656 1131406157 /nfs/dbraw/zinc/40/61/57/1131406157.db2.gz SZNKJKFBSFGBPV-UHFFFAOYSA-N 0 3 272.779 3.667 20 30 CHEDHN C#CCCOc1ccc(CN[C@@H](C)c2cnccc2C)cc1 ZINC000770746787 1129958471 /nfs/dbraw/zinc/95/84/71/1129958471.db2.gz OPPLYTPMYINCOS-INIZCTEOSA-N 0 3 294.398 3.643 20 30 CHEDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2CCO[C@@H](C)C#N)o1 ZINC000801925422 1129960241 /nfs/dbraw/zinc/96/02/41/1129960241.db2.gz LXYCPECQFVZJEB-DZKIICNBSA-N 0 3 290.407 3.544 20 30 CHEDHN C=CC[C@H](N[C@@H](C)c1cnccc1C)c1ccncc1 ZINC000772456605 1130023629 /nfs/dbraw/zinc/02/36/29/1130023629.db2.gz SCCYQGNGTVXQNL-YOEHRIQHSA-N 0 3 267.376 3.753 20 30 CHEDHN Cc1cscc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000785520873 1130038256 /nfs/dbraw/zinc/03/82/56/1130038256.db2.gz CXORDGFEKXPSKC-ZDUSSCGKSA-N 0 3 286.400 3.637 20 30 CHEDHN CC[C@H](N[C@@H](C)c1cccnc1)c1cccc(C#N)c1 ZINC000902726997 1130045530 /nfs/dbraw/zinc/04/55/30/1130045530.db2.gz WAQPQEZWCNOGBS-GUYCJALGSA-N 0 3 265.360 3.755 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc2ccccc2c1 ZINC000785617620 1130045893 /nfs/dbraw/zinc/04/58/93/1130045893.db2.gz QLVHTTFIHGGWEZ-FQEVSTJZSA-N 0 3 299.377 3.884 20 30 CHEDHN CC[C@H](NCc1ccc(C)nc1)c1cccc(C#N)c1 ZINC000902750374 1130050576 /nfs/dbraw/zinc/05/05/76/1130050576.db2.gz GLBUWPSCFSYTGE-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN CC[C@H](NCc1ccnc(SC)c1)c1cccc(C#N)c1 ZINC000902849093 1130069721 /nfs/dbraw/zinc/06/97/21/1130069721.db2.gz FZKOOKQPDWAIFJ-INIZCTEOSA-N 0 3 297.427 3.916 20 30 CHEDHN CC[C@@H](NCc1ccccc1N(C)C)c1cccc(C#N)c1 ZINC000902870804 1130076346 /nfs/dbraw/zinc/07/63/46/1130076346.db2.gz GYUKSMHNVUVOHX-GOSISDBHSA-N 0 3 293.414 3.865 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1cc(C#N)ccn1 ZINC000902966695 1130093125 /nfs/dbraw/zinc/09/31/25/1130093125.db2.gz HKOYGHZQVZDKPW-MFKMUULPSA-N 0 3 285.313 3.581 20 30 CHEDHN C[C@H](NC1(Cc2ccc(F)cc2)CC1)c1cc(C#N)ccn1 ZINC000903009552 1130100150 /nfs/dbraw/zinc/10/01/50/1130100150.db2.gz BFINLQZLOHPJOK-ZDUSSCGKSA-N 0 3 295.361 3.518 20 30 CHEDHN Cc1ccccc1C[C@@H](NCC1(C#N)CCC1)C1CC1 ZINC000903035570 1130102907 /nfs/dbraw/zinc/10/29/07/1130102907.db2.gz RKQXCWKOVMVLHT-QGZVFWFLSA-N 0 3 268.404 3.600 20 30 CHEDHN C=CCC[C@H](NCc1cnn(C)c1)c1cccc(Cl)c1 ZINC000903076876 1130108344 /nfs/dbraw/zinc/10/83/44/1130108344.db2.gz VKUOOHNXYWQNBP-INIZCTEOSA-N 0 3 289.810 3.871 20 30 CHEDHN COc1ccc(Cl)c2c1CCC[C@H]2NCCCC#N ZINC000903147063 1130119859 /nfs/dbraw/zinc/11/98/59/1130119859.db2.gz DJVDBAPZHOKQIW-CYBMUJFWSA-N 0 3 278.783 3.619 20 30 CHEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1ccc(F)cc1C ZINC000746654418 1130135121 /nfs/dbraw/zinc/13/51/21/1130135121.db2.gz IDBGCLDVCNUOAV-IBGZPJMESA-N 0 3 299.389 3.856 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc(OCOCC)cc1 ZINC000787310578 1130147328 /nfs/dbraw/zinc/14/73/28/1130147328.db2.gz OXDSCAXVYBDZAM-MRXNPFEDSA-N 0 3 275.392 3.600 20 30 CHEDHN CCCCCCCCCCC(=O)N1CCN2CCC1CC2 ZINC000787514460 1130152432 /nfs/dbraw/zinc/15/24/32/1130152432.db2.gz DRMLOPILPKIANK-UHFFFAOYSA-N 0 3 294.483 3.824 20 30 CHEDHN C=CCC[C@H](CCC)N[C@@H](c1ncccn1)C1CC1 ZINC000903330681 1130157878 /nfs/dbraw/zinc/15/78/78/1130157878.db2.gz IIKVWFNJIMEAJR-LSDHHAIUSA-N 0 3 259.397 3.652 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)cc1 ZINC000751505652 1130181566 /nfs/dbraw/zinc/18/15/66/1130181566.db2.gz QZNAEXHWGVELIL-OAHLLOKOSA-N 0 3 297.373 3.997 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@H]2CCC[C@@H](CC)C2)n1 ZINC000789759204 1130275600 /nfs/dbraw/zinc/27/56/00/1130275600.db2.gz PZWOVEUSJVJDCE-SJORKVTESA-N 0 3 287.451 3.555 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000791568630 1130381843 /nfs/dbraw/zinc/38/18/43/1130381843.db2.gz PQRDKYFRLHOLLC-KRWDZBQOSA-N 0 3 299.414 3.551 20 30 CHEDHN CCCCCCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC000792198319 1130437631 /nfs/dbraw/zinc/43/76/31/1130437631.db2.gz CKTFSKQNBHMMMN-GOSISDBHSA-N 0 3 296.499 3.534 20 30 CHEDHN C=CCC1([NH2+]Cc2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000827146628 1130448562 /nfs/dbraw/zinc/44/85/62/1130448562.db2.gz IFSMCPASAMFERU-UHFFFAOYSA-N 0 3 295.810 3.569 20 30 CHEDHN COCC#CCN[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000678762156 1130449098 /nfs/dbraw/zinc/44/90/98/1130449098.db2.gz CCZFPAKDSHPBEW-HNNXBMFYSA-N 0 3 299.336 3.642 20 30 CHEDHN COCC#CCN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000678762157 1130449116 /nfs/dbraw/zinc/44/91/16/1130449116.db2.gz CCZFPAKDSHPBEW-OAHLLOKOSA-N 0 3 299.336 3.642 20 30 CHEDHN C[C@@H](Cc1ccccc1Cl)N1CCC[C@@H](C#N)CC1 ZINC001170286938 1130479204 /nfs/dbraw/zinc/47/92/04/1130479204.db2.gz FVBQXYULWUOEGH-UONOGXRCSA-N 0 3 276.811 3.897 20 30 CHEDHN CC[C@H](CC#N)NCCCc1cccc(C(F)(F)F)c1 ZINC001255156318 1130499872 /nfs/dbraw/zinc/49/98/72/1130499872.db2.gz ZSKVBXOZSACZDK-CQSZACIVSA-N 0 3 284.325 3.920 20 30 CHEDHN C=CCOCCN[C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000679576529 1130540768 /nfs/dbraw/zinc/54/07/68/1130540768.db2.gz OZKYHDJCVBSPRM-HNNXBMFYSA-N 0 3 295.810 3.654 20 30 CHEDHN C=CCN(Cc1cc(O)cc(C(F)(F)F)c1)C(C)C ZINC000811456340 1130610596 /nfs/dbraw/zinc/61/05/96/1130610596.db2.gz LUDKVUHFQYUZFL-UHFFFAOYSA-N 0 3 273.298 3.807 20 30 CHEDHN C#CCN(C/C(C)=C/c1ccccc1OC(F)F)C1CC1 ZINC000811490123 1130612727 /nfs/dbraw/zinc/61/27/27/1130612727.db2.gz NATOJNLKTGFYPZ-ACCUITESSA-N 0 3 291.341 3.789 20 30 CHEDHN C=CC[C@H](Oc1c(F)cc(CN(C)C)cc1OC)C(C)C ZINC001234241810 1130622856 /nfs/dbraw/zinc/62/28/56/1130622856.db2.gz WDXYKWJONCECIE-HNNXBMFYSA-N 0 3 295.398 3.875 20 30 CHEDHN CCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000759538999 1130662947 /nfs/dbraw/zinc/66/29/47/1130662947.db2.gz PLRCZONRBCZOEW-LBPRGKRZSA-N 0 3 282.343 3.974 20 30 CHEDHN C#C[C@@H](NC[C@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000812792517 1130712353 /nfs/dbraw/zinc/71/23/53/1130712353.db2.gz BGFAJUASFAKQCF-CRAIPNDOSA-N 0 3 295.357 3.656 20 30 CHEDHN C[C@@H](COc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000781420937 1130716449 /nfs/dbraw/zinc/71/64/49/1130716449.db2.gz NEOZGLFDZIKOSU-KBPBESRZSA-N 0 3 298.361 3.815 20 30 CHEDHN C[C@@H](N[C@@H](C)Cc1ccco1)c1ccc(C#N)cc1F ZINC000781419609 1130716645 /nfs/dbraw/zinc/71/66/45/1130716645.db2.gz AIZWFMGZVVGKAH-NWDGAFQWSA-N 0 3 272.323 3.572 20 30 CHEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CCCCC1 ZINC000781453712 1130718106 /nfs/dbraw/zinc/71/81/06/1130718106.db2.gz XLUUYKNQFGMYSX-LBPRGKRZSA-N 0 3 282.343 3.974 20 30 CHEDHN C#C[C@H](N[C@@H](C)Cc1ccsc1)c1ccc(F)cc1 ZINC000812795348 1130719075 /nfs/dbraw/zinc/71/90/75/1130719075.db2.gz RZDVNOGJJGXPMP-LRDDRELGSA-N 0 3 273.376 3.782 20 30 CHEDHN Cc1ccc2c(c1)CN(Cc1ccccc1CC#N)CC2 ZINC001235512808 1130751148 /nfs/dbraw/zinc/75/11/48/1130751148.db2.gz VRPJWYTUMUTYQG-UHFFFAOYSA-N 0 3 276.383 3.619 20 30 CHEDHN N#CCc1ccccc1CN1CC[C@H]1c1ccccc1 ZINC001235527022 1130752734 /nfs/dbraw/zinc/75/27/34/1130752734.db2.gz FXZJFIWXPSFADA-SFHVURJKSA-N 0 3 262.356 3.700 20 30 CHEDHN C#C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678836 1130768185 /nfs/dbraw/zinc/76/81/85/1130768185.db2.gz NSLLDJYXZDYCLQ-AWEZNQCLSA-N 0 3 271.404 3.535 20 30 CHEDHN C#C[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678836 1130768191 /nfs/dbraw/zinc/76/81/91/1130768191.db2.gz NSLLDJYXZDYCLQ-AWEZNQCLSA-N 0 3 271.404 3.535 20 30 CHEDHN C#CCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000783005435 1130794688 /nfs/dbraw/zinc/79/46/88/1130794688.db2.gz XAYUDMICCDIADI-KRWDZBQOSA-N 0 3 284.790 3.632 20 30 CHEDHN C=CCCSCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000696127489 1130816309 /nfs/dbraw/zinc/81/63/09/1130816309.db2.gz RVVJHWJUTBCBME-AWEZNQCLSA-N 0 3 265.422 3.742 20 30 CHEDHN C(CC1CCCCC1)=Nn1cnnc1-c1ccccc1 ZINC000814780075 1130913738 /nfs/dbraw/zinc/91/37/38/1130913738.db2.gz YLDCJVVNDSFSRK-UHFFFAOYSA-N 0 3 268.364 3.749 20 30 CHEDHN CCCCCCCN(C)Cc1cccc(C(=O)OCC)n1 ZINC001236644625 1130988987 /nfs/dbraw/zinc/98/89/87/1130988987.db2.gz JRMSEMUYBXBEES-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN Cc1c([C@H](C)NCC2(CC#N)CC2)cnn1-c1ccccc1 ZINC000797587613 1130996705 /nfs/dbraw/zinc/99/67/05/1130996705.db2.gz WGTYLANLUYBBCH-AWEZNQCLSA-N 0 3 294.402 3.525 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2cccc3occc32)C1 ZINC001236736253 1131002074 /nfs/dbraw/zinc/00/20/74/1131002074.db2.gz CNSHZPBCVFSSQR-ZDUSSCGKSA-N 0 3 254.333 3.558 20 30 CHEDHN C=CCC[C@H](CC)NCc1c(F)cc(F)cc1F ZINC000815650350 1131018710 /nfs/dbraw/zinc/01/87/10/1131018710.db2.gz PDTWWDIOLVHCHK-NSHDSACASA-N 0 3 257.299 3.938 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)C1CC1 ZINC000815898207 1131030938 /nfs/dbraw/zinc/03/09/38/1131030938.db2.gz WJDHKKCGUUCONH-ZDUSSCGKSA-N 0 3 295.386 3.576 20 30 CHEDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001237050124 1131039585 /nfs/dbraw/zinc/03/95/85/1131039585.db2.gz YPSUZHUZMBOQQS-CQSZACIVSA-N 0 3 272.392 3.641 20 30 CHEDHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001237050124 1131039588 /nfs/dbraw/zinc/03/95/88/1131039588.db2.gz YPSUZHUZMBOQQS-CQSZACIVSA-N 0 3 272.392 3.641 20 30 CHEDHN C=CCCCC[N@@H+](C)Cc1ccc(OCC)cc1[O-] ZINC001237046044 1131041113 /nfs/dbraw/zinc/04/11/13/1131041113.db2.gz LDNNZCJRRHNVNR-UHFFFAOYSA-N 0 3 263.381 3.579 20 30 CHEDHN C=CCCCC[N@H+](C)Cc1ccc(OCC)cc1[O-] ZINC001237046044 1131041119 /nfs/dbraw/zinc/04/11/19/1131041119.db2.gz LDNNZCJRRHNVNR-UHFFFAOYSA-N 0 3 263.381 3.579 20 30 CHEDHN N#CC(C(=O)CC1CC(c2ccccc2)C1)c1ccccn1 ZINC000798815588 1131051173 /nfs/dbraw/zinc/05/11/73/1131051173.db2.gz ANOYNBGOPXALMS-PREGVCBESA-N 0 3 290.366 3.842 20 30 CHEDHN C=CCN(Cc1n[nH]c2cc(OC)ccc21)C1CCCCC1 ZINC001237398925 1131094373 /nfs/dbraw/zinc/09/43/73/1131094373.db2.gz UHKFSYQCUPEJST-UHFFFAOYSA-N 0 3 299.418 3.892 20 30 CHEDHN C=C(C)CN(CC)Cc1cnc(C)c(Br)c1 ZINC001237562355 1131114543 /nfs/dbraw/zinc/11/45/43/1131114543.db2.gz RKAQMDSQZSBFAE-UHFFFAOYSA-N 0 3 283.213 3.551 20 30 CHEDHN COc1ccc(C)c(CN(C)Cc2ccc(C#N)cc2)c1 ZINC001237713648 1131132644 /nfs/dbraw/zinc/13/26/44/1131132644.db2.gz MYXXTOQSKZZMBP-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C[C@@H]1[C@@H](C)CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237757181 1131139521 /nfs/dbraw/zinc/13/95/21/1131139521.db2.gz NYTYOGUEHTWGMF-NWDGAFQWSA-N 0 3 262.784 3.832 20 30 CHEDHN COCC[C@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237757848 1131139691 /nfs/dbraw/zinc/13/96/91/1131139691.db2.gz VVLAKTXCPCBQPB-MRXNPFEDSA-N 0 3 292.810 3.603 20 30 CHEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC001116620611 1131157795 /nfs/dbraw/zinc/15/77/95/1131157795.db2.gz LBTQKJWHNYZLMP-RDJZCZTQSA-N 0 3 291.435 3.963 20 30 CHEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC001116620612 1131157832 /nfs/dbraw/zinc/15/78/32/1131157832.db2.gz LBTQKJWHNYZLMP-WBVHZDCISA-N 0 3 291.435 3.963 20 30 CHEDHN COC1([C@@H](C)NCc2cc(C#N)ccc2F)CCCCC1 ZINC000817581678 1131172656 /nfs/dbraw/zinc/17/26/56/1131172656.db2.gz RJQTZQDWBDQARD-CYBMUJFWSA-N 0 3 290.382 3.525 20 30 CHEDHN N#CCC1CCN(Cc2cccc(-c3cccs3)n2)CC1 ZINC001238219856 1131183705 /nfs/dbraw/zinc/18/37/05/1131183705.db2.gz MQIUYSKMKBUQEQ-UHFFFAOYSA-N 0 3 297.427 3.936 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCC3)CC2 ZINC001117671243 1131191906 /nfs/dbraw/zinc/19/19/06/1131191906.db2.gz CQHNTVXFHHYJPL-HXUWFJFHSA-N 0 3 288.394 3.824 20 30 CHEDHN C#CC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000830321614 1131453055 /nfs/dbraw/zinc/45/30/55/1131453055.db2.gz UBMPXJLKGJDHJR-UHFFFAOYSA-N 0 3 284.790 3.733 20 30 CHEDHN C=C(C)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824743375 1131479955 /nfs/dbraw/zinc/47/99/55/1131479955.db2.gz ACMNZGFQSZPYIE-UHFFFAOYSA-N 0 3 284.197 3.519 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000825226768 1131503774 /nfs/dbraw/zinc/50/37/74/1131503774.db2.gz LQRDETPMHJQCAS-LJQANCHMSA-N 0 3 293.435 3.788 20 30 CHEDHN N#C[C@H]1CCCN(Cc2ccccc2N2CCCCC2)CC1 ZINC001138608652 1131525627 /nfs/dbraw/zinc/52/56/27/1131525627.db2.gz MKQCLECRMUQQIV-KRWDZBQOSA-N 0 3 297.446 3.803 20 30 CHEDHN C=CCCCCN(C)Cc1cnn(-c2ccccc2)c1 ZINC001138603212 1131525708 /nfs/dbraw/zinc/52/57/08/1131525708.db2.gz JKZMUHFCVFWUET-UHFFFAOYSA-N 0 3 269.392 3.660 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@](C)(F)CC2)c1[O-] ZINC001138625958 1131528576 /nfs/dbraw/zinc/52/85/76/1131528576.db2.gz YIFCOWDZSUSIIZ-QGZVFWFLSA-N 0 3 277.383 3.835 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@](C)(F)CC2)c1[O-] ZINC001138625958 1131528579 /nfs/dbraw/zinc/52/85/79/1131528579.db2.gz YIFCOWDZSUSIIZ-QGZVFWFLSA-N 0 3 277.383 3.835 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2Cc3cccc(C)c3C2)c1[O-] ZINC001138625200 1131528719 /nfs/dbraw/zinc/52/87/19/1131528719.db2.gz HBPDQHOEAYPNHF-UHFFFAOYSA-N 0 3 279.383 3.945 20 30 CHEDHN C=CCc1cccc(C[N@H+]2Cc3cccc(C)c3C2)c1[O-] ZINC001138625200 1131528722 /nfs/dbraw/zinc/52/87/22/1131528722.db2.gz HBPDQHOEAYPNHF-UHFFFAOYSA-N 0 3 279.383 3.945 20 30 CHEDHN C=CCc1cccc(CN2Cc3cccc(C)c3C2)c1O ZINC001138625200 1131528725 /nfs/dbraw/zinc/52/87/25/1131528725.db2.gz HBPDQHOEAYPNHF-UHFFFAOYSA-N 0 3 279.383 3.945 20 30 CHEDHN C=CCc1cccc(C[NH+]2CCC(C(F)F)CC2)c1[O-] ZINC001138627627 1131528737 /nfs/dbraw/zinc/52/87/37/1131528737.db2.gz CPTJMIFYURMKPN-UHFFFAOYSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1[O-] ZINC001138628774 1131529664 /nfs/dbraw/zinc/52/96/64/1131529664.db2.gz DONFSVMFAJSWFR-KRWDZBQOSA-N 0 3 294.398 3.505 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1[O-] ZINC001138628774 1131529669 /nfs/dbraw/zinc/52/96/69/1131529669.db2.gz DONFSVMFAJSWFR-KRWDZBQOSA-N 0 3 294.398 3.505 20 30 CHEDHN C=C(C)COc1ccccc1CN1CC[C@@](C)(CF)C1 ZINC001138661935 1131533707 /nfs/dbraw/zinc/53/37/07/1131533707.db2.gz JKLQFVYNWXRYPJ-KRWDZBQOSA-N 0 3 277.383 3.823 20 30 CHEDHN C=C(C)COc1ccccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138664989 1131533833 /nfs/dbraw/zinc/53/38/33/1131533833.db2.gz DFLZJHVXSCJEFA-XGWQRUHWSA-N 0 3 296.414 3.908 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001138687669 1131537156 /nfs/dbraw/zinc/53/71/56/1131537156.db2.gz KKRSZDUTZRXBQC-GFCCVEGCSA-N 0 3 272.779 3.667 20 30 CHEDHN CCn1ccc2ccc(CN3CCC[C@@H](CC#N)C3)cc21 ZINC001139123976 1131584252 /nfs/dbraw/zinc/58/42/52/1131584252.db2.gz GXUOUCKBWWPIBY-HNNXBMFYSA-N 0 3 281.403 3.787 20 30 CHEDHN CCc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(CC)c1O ZINC001144150206 1131591625 /nfs/dbraw/zinc/59/16/25/1131591625.db2.gz DXIHQHCKKZONQJ-WVJCCSTMSA-N 0 3 298.430 3.784 20 30 CHEDHN CCc1cc(CN2CCC[C@@H](C#N)CC2)cc(CC)c1O ZINC001144151572 1131592690 /nfs/dbraw/zinc/59/26/90/1131592690.db2.gz YLOMGPISQXNJMU-CQSZACIVSA-N 0 3 286.419 3.643 20 30 CHEDHN CCCCCCCN(C)Cc1c(N)c(OC)ccc1OC ZINC001139273341 1131599751 /nfs/dbraw/zinc/59/97/51/1131599751.db2.gz VCKANXFIVAMZLR-UHFFFAOYSA-N 0 3 294.439 3.688 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(-n2cccc2)cc1 ZINC001144245944 1131605454 /nfs/dbraw/zinc/60/54/54/1131605454.db2.gz MGFYCWWPMLKZEW-UHFFFAOYSA-N 0 3 252.361 3.651 20 30 CHEDHN CCN(CC)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424619 1131608645 /nfs/dbraw/zinc/60/86/45/1131608645.db2.gz SATQQSITBGSYMS-UHFFFAOYSA-N 0 3 281.359 3.587 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc(N(C)C)nc1 ZINC001139456534 1131608863 /nfs/dbraw/zinc/60/88/63/1131608863.db2.gz GXPCKVALSPAEIH-UHFFFAOYSA-N 0 3 295.430 3.726 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(C(C)C)c2)C1 ZINC001139621123 1131624019 /nfs/dbraw/zinc/62/40/19/1131624019.db2.gz HEVQVYWPTSWNHK-HNNXBMFYSA-N 0 3 271.404 3.664 20 30 CHEDHN C[C@H]1CC[C@H](N(C)Cc2cc(C#N)ccc2F)CC1 ZINC001139650802 1131626493 /nfs/dbraw/zinc/62/64/93/1131626493.db2.gz XFHWBNPKXXDEST-NNUKFRKNSA-N 0 3 260.356 3.708 20 30 CHEDHN CC(C)N(CCCCCO)Cc1cccc(Cl)c1C#N ZINC001139693425 1131630498 /nfs/dbraw/zinc/63/04/98/1131630498.db2.gz FRAUNYRQJIHVFY-UHFFFAOYSA-N 0 3 294.826 3.585 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc(OC)cn1 ZINC001144428604 1131634092 /nfs/dbraw/zinc/63/40/92/1131634092.db2.gz RDGWRJYLOYYKCE-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN N#CC(C(=O)[C@@H]1C[C@@H]1C1CCCC1)c1nc2ccccc2[nH]1 ZINC000845436718 1131634216 /nfs/dbraw/zinc/63/42/16/1131634216.db2.gz JEBOCDAHALXTDZ-MGPQQGTHSA-N 0 3 293.370 3.565 20 30 CHEDHN C=CCn1cc(CN2CCC[C@H]2c2ccc(C)cc2)cn1 ZINC001139770763 1131636413 /nfs/dbraw/zinc/63/64/13/1131636413.db2.gz ZTSIFWZFQPQQJP-SFHVURJKSA-N 0 3 281.403 3.715 20 30 CHEDHN C=CCn1cc(CN2CCC(c3ccc(F)cc3)CC2)cn1 ZINC001139770679 1131637039 /nfs/dbraw/zinc/63/70/39/1131637039.db2.gz WNSIFQRPHSPONL-UHFFFAOYSA-N 0 3 299.393 3.588 20 30 CHEDHN CCCCCCCN(CC)Cc1cnc(Cl)nc1 ZINC001139990195 1131654881 /nfs/dbraw/zinc/65/48/81/1131654881.db2.gz KLYRLKDHOZHTMY-UHFFFAOYSA-N 0 3 269.820 3.922 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@@H](C(F)F)C3)c2c1 ZINC001140115265 1131665119 /nfs/dbraw/zinc/66/51/19/1131665119.db2.gz SIPFRZDEYSTDGT-GFCCVEGCSA-N 0 3 289.329 3.517 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CC(F)C4)CC3)c2c1 ZINC001140110919 1131665248 /nfs/dbraw/zinc/66/52/48/1131665248.db2.gz UZROCQFMXBIRGG-UHFFFAOYSA-N 0 3 297.377 3.754 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CCC4)CC3)c2c1 ZINC001140111132 1131665354 /nfs/dbraw/zinc/66/53/54/1131665354.db2.gz YXFVIEOIFQVPHK-UHFFFAOYSA-N 0 3 279.387 3.806 20 30 CHEDHN Cc1cccc(CCN(C)Cc2ccc(C#N)cc2F)c1 ZINC001140139436 1131666293 /nfs/dbraw/zinc/66/62/93/1131666293.db2.gz RNUIZAMQDUKOKV-UHFFFAOYSA-N 0 3 282.362 3.680 20 30 CHEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c(F)c1 ZINC001140140390 1131667034 /nfs/dbraw/zinc/66/70/34/1131667034.db2.gz VISQIKOOVKPKGV-IYBDPMFKSA-N 0 3 292.357 3.784 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC001171220877 1131706349 /nfs/dbraw/zinc/70/63/49/1131706349.db2.gz FGIOVQBKTDJXPL-DOMZBBRYSA-N 0 3 296.336 3.764 20 30 CHEDHN C=C(C)CCN[C@H](C)c1nc(Br)cs1 ZINC000834882099 1131717942 /nfs/dbraw/zinc/71/79/42/1131717942.db2.gz FPDODICPFHJLEV-MRVPVSSYSA-N 0 3 275.215 3.522 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2csc(C)c2)cc1 ZINC000834889846 1131719557 /nfs/dbraw/zinc/71/95/57/1131719557.db2.gz GLRMXFJWIFSDEC-AWEZNQCLSA-N 0 3 285.412 3.919 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(C)nc2C)c1 ZINC000834902683 1131725097 /nfs/dbraw/zinc/72/50/97/1131725097.db2.gz KGVMPRKMTWWWGY-AWEZNQCLSA-N 0 3 264.372 3.531 20 30 CHEDHN C[C@@H]1CCC[C@@]1(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835076428 1131767936 /nfs/dbraw/zinc/76/79/36/1131767936.db2.gz IYHPMZIQJYVFKC-BWACUDIHSA-N 0 3 282.343 3.830 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cc(Cl)nc3ccccc23)C1 ZINC000847020609 1131772252 /nfs/dbraw/zinc/77/22/52/1131772252.db2.gz CQOOIGCDFZUXAV-ZDUSSCGKSA-N 0 3 284.790 3.733 20 30 CHEDHN C#CCN(Cc1ccc(O)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001140578918 1131802951 /nfs/dbraw/zinc/80/29/51/1131802951.db2.gz FHJIJVCRPVNJJP-LJQANCHMSA-N 0 3 291.394 3.823 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001140600313 1131821188 /nfs/dbraw/zinc/82/11/88/1131821188.db2.gz HENOWFUYHQJMEY-KBPBESRZSA-N 0 3 274.795 3.834 20 30 CHEDHN C#CCOc1ccccc1CN[C@H]1CCc2ccc(C)cc21 ZINC000772989634 1131847457 /nfs/dbraw/zinc/84/74/57/1131847457.db2.gz XPRPRUKXEOMGEM-IBGZPJMESA-N 0 3 291.394 3.784 20 30 CHEDHN C#CCOc1ccccc1CN[C@H]1CCc2c1cccc2C ZINC000772987974 1131847851 /nfs/dbraw/zinc/84/78/51/1131847851.db2.gz NLICDIAEHXKUFN-IBGZPJMESA-N 0 3 291.394 3.784 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H]1CCc2ccc(C)cc21 ZINC000772989635 1131848009 /nfs/dbraw/zinc/84/80/09/1131848009.db2.gz XPRPRUKXEOMGEM-LJQANCHMSA-N 0 3 291.394 3.784 20 30 CHEDHN CC(C)CN(CCC#N)CC/C=C/c1ccccc1 ZINC000323442287 1131857640 /nfs/dbraw/zinc/85/76/40/1131857640.db2.gz SDLZGUXVUJRHGJ-IZZDOVSWSA-N 0 3 256.393 3.962 20 30 CHEDHN C=CCCCCN(C)Cc1cc(Br)ccn1 ZINC001140766239 1131909912 /nfs/dbraw/zinc/90/99/12/1131909912.db2.gz DMYKRARTBJYIDU-UHFFFAOYSA-N 0 3 283.213 3.632 20 30 CHEDHN C=C(Cl)CN[C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000773005052 1131916691 /nfs/dbraw/zinc/91/66/91/1131916691.db2.gz NNXGWMRDTCXGOR-NWDGAFQWSA-N 0 3 253.773 3.529 20 30 CHEDHN C[C@H]1CCCN(Cc2cccc(C#N)c2Cl)[C@H]1C ZINC001140811400 1131932367 /nfs/dbraw/zinc/93/23/67/1131932367.db2.gz RSXHWULNFOPHBV-RYUDHWBXSA-N 0 3 262.784 3.832 20 30 CHEDHN COc1ccc(CN[C@H](C)c2sccc2C)cc1C#N ZINC000773084614 1131940321 /nfs/dbraw/zinc/94/03/21/1131940321.db2.gz UZACHPCYXQDRFF-GFCCVEGCSA-N 0 3 286.400 3.788 20 30 CHEDHN C=C[C@@H](CCCC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228946007 1131983504 /nfs/dbraw/zinc/98/35/04/1131983504.db2.gz ZLGQIPZXYVNVOE-INIZCTEOSA-N 0 3 259.393 3.798 20 30 CHEDHN C=C[C@@H](CCCC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303536 1132050272 /nfs/dbraw/zinc/05/02/72/1132050272.db2.gz ULOBFTGLSOJVHA-INIZCTEOSA-N 0 3 289.419 3.945 20 30 CHEDHN C=CC[C@H](CCC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229302040 1132050447 /nfs/dbraw/zinc/05/04/47/1132050447.db2.gz FNAAUHCEOBAOLZ-MRXNPFEDSA-N 0 3 289.419 3.945 20 30 CHEDHN Cc1ccc(CC[C@@H](C)N2CC[C@@](C)(C#N)C2)cc1 ZINC001171681382 1132078147 /nfs/dbraw/zinc/07/81/47/1132078147.db2.gz GALZCEGAXHUIOK-WBVHZDCISA-N 0 3 256.393 3.552 20 30 CHEDHN CN(C)Cc1ccccc1O[C@H](C#N)c1ccccc1F ZINC001229702012 1132107620 /nfs/dbraw/zinc/10/76/20/1132107620.db2.gz OEKFJVJDRXYOKA-QGZVFWFLSA-N 0 3 284.334 3.531 20 30 CHEDHN C=CCN(Cc1[nH]c(CC)nc1C)C1CCCCC1 ZINC001203250112 1132115840 /nfs/dbraw/zinc/11/58/40/1132115840.db2.gz BJEKVPVQVTXDNT-UHFFFAOYSA-N 0 3 261.413 3.601 20 30 CHEDHN N#CC1CCN(Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001141577704 1132187262 /nfs/dbraw/zinc/18/72/62/1132187262.db2.gz POZRSEZHHORWPG-UHFFFAOYSA-N 0 3 273.767 3.557 20 30 CHEDHN C=CCN(CC=C)Cc1c[nH]c2cc(Cl)ccc12 ZINC001141586058 1132192090 /nfs/dbraw/zinc/19/20/90/1132192090.db2.gz PEZJHJHUENQDRY-UHFFFAOYSA-N 0 3 260.768 3.995 20 30 CHEDHN C#CC1CCN(Cc2ccc(C(F)(F)F)cc2OC)CC1 ZINC001141611858 1132206779 /nfs/dbraw/zinc/20/67/79/1132206779.db2.gz KNPNIODHAJLNLX-UHFFFAOYSA-N 0 3 297.320 3.559 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(F)ccc2n1 ZINC001141649124 1132224118 /nfs/dbraw/zinc/22/41/18/1132224118.db2.gz PHOPPIZNZYJDFI-IBEGIYRJSA-N 0 3 295.361 3.640 20 30 CHEDHN C[C@@H](CCCC#N)NCc1ccsc1Br ZINC001172483254 1132228871 /nfs/dbraw/zinc/22/88/71/1132228871.db2.gz NYXZKYWUKHFQJS-VIFPVBQESA-N 0 3 287.226 3.683 20 30 CHEDHN C[C@@H](CCCC#N)NCC(=O)c1ccc(C(F)(F)F)cc1 ZINC001172487457 1132230496 /nfs/dbraw/zinc/23/04/96/1132230496.db2.gz HIUKMSXGKKCHFR-NSHDSACASA-N 0 3 298.308 3.560 20 30 CHEDHN C[C@H](CCCC#N)n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001172484496 1132231223 /nfs/dbraw/zinc/23/12/23/1132231223.db2.gz FMRBBGUTODJHCD-KGLIPLIRSA-N 0 3 282.391 3.825 20 30 CHEDHN C[C@H](CCCC#N)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001172494456 1132247829 /nfs/dbraw/zinc/24/78/29/1132247829.db2.gz UXJIKQOVBKGPII-VQIMIIECSA-N 0 3 293.414 3.975 20 30 CHEDHN C[C@@H](CCCC#N)NCc1c(F)cccc1Br ZINC001172494016 1132248587 /nfs/dbraw/zinc/24/85/87/1132248587.db2.gz XOFKIZJMGQMZBJ-JTQLQIEISA-N 0 3 299.187 3.760 20 30 CHEDHN CCCCCCCC[C@H](CC)N1CC(N2CCOCC2)C1 ZINC001172505712 1132254037 /nfs/dbraw/zinc/25/40/37/1132254037.db2.gz SPFOWZGSIDCEKF-KRWDZBQOSA-N 0 3 296.499 3.532 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CC[C@@H](CC#N)C2)c([O-])c1 ZINC000840708526 1132273286 /nfs/dbraw/zinc/27/32/86/1132273286.db2.gz XWFJHXUNSFADLG-NTGHFPBUSA-N 0 3 299.418 3.740 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CS[C@H](C)C2)c([O-])c1 ZINC000840711878 1132275038 /nfs/dbraw/zinc/27/50/38/1132275038.db2.gz SXCRGFIRWYZVRE-STYDFJLESA-N 0 3 292.448 3.551 20 30 CHEDHN C=CCCCCCCN[C@H](C)c1cc2n(n1)CCC2 ZINC000840749494 1132280900 /nfs/dbraw/zinc/28/09/00/1132280900.db2.gz KYDHKKBUATYVLH-CQSZACIVSA-N 0 3 261.413 3.616 20 30 CHEDHN N#CCCN(C1CCCC1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172720803 1132295417 /nfs/dbraw/zinc/29/54/17/1132295417.db2.gz XUZLGYNKLHPKNJ-KRWDZBQOSA-N 0 3 288.822 3.965 20 30 CHEDHN C=C(Br)CN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000841746362 1132389647 /nfs/dbraw/zinc/38/96/47/1132389647.db2.gz FLWCXCVHJOXLJE-GARJFASQSA-N 0 3 286.238 3.738 20 30 CHEDHN CCCCCCCN(C)Cc1cnc(F)c(C)c1 ZINC001231926600 1132401076 /nfs/dbraw/zinc/40/10/76/1132401076.db2.gz AZLPYAVXVHKFJV-UHFFFAOYSA-N 0 3 252.377 3.931 20 30 CHEDHN C=C[C@@H](N[C@@H]1COc2cccc(OC)c2C1)c1ccccc1 ZINC001173161809 1132406597 /nfs/dbraw/zinc/40/65/97/1132406597.db2.gz SCPQJPVTASSTJA-DOTOQJQBSA-N 0 3 295.382 3.516 20 30 CHEDHN CC[C@H]1CCCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117043 1132426207 /nfs/dbraw/zinc/42/62/07/1132426207.db2.gz UDJXEUOOJNDENA-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCCCCN(C)Cc1cnc(-c2cccnc2)o1 ZINC001232136100 1132427085 /nfs/dbraw/zinc/42/70/85/1132427085.db2.gz RAMZDLCHEYRIDG-UHFFFAOYSA-N 0 3 271.364 3.525 20 30 CHEDHN CCCCCCCN(C)Cc1cn(C)nc1C1CC1 ZINC001232171327 1132432068 /nfs/dbraw/zinc/43/20/68/1132432068.db2.gz OICLXOMZDPSMIP-UHFFFAOYSA-N 0 3 263.429 3.700 20 30 CHEDHN C=CCOC1CCC(NCc2c(F)cccc2F)CC1 ZINC001173308939 1132449650 /nfs/dbraw/zinc/44/96/50/1132449650.db2.gz PXDKZOAVHKCHGX-UHFFFAOYSA-N 0 3 281.346 3.568 20 30 CHEDHN N#CC(C(=O)C1CC2(CCC2)C1)c1ccc2ccccc2n1 ZINC000842681397 1132450630 /nfs/dbraw/zinc/45/06/30/1132450630.db2.gz DGNHLICLNVUSAZ-OAHLLOKOSA-N 0 3 290.366 3.991 20 30 CHEDHN N#Cc1ccc(CN2CCC(c3cccc(O)c3)CC2)s1 ZINC001232845377 1132528190 /nfs/dbraw/zinc/52/81/90/1132528190.db2.gz UEYLGOPQNZYWCE-UHFFFAOYSA-N 0 3 298.411 3.705 20 30 CHEDHN C#CC1CCN(Cc2c(Cl)cccc2SC)CC1 ZINC001233353150 1132609319 /nfs/dbraw/zinc/60/93/19/1132609319.db2.gz IRYKLQTYQUZKOD-UHFFFAOYSA-N 0 3 279.836 3.907 20 30 CHEDHN CN(C)Cc1ccccc1Nc1ccc(F)c(CC#N)c1 ZINC001173932002 1132644357 /nfs/dbraw/zinc/64/43/57/1132644357.db2.gz PIDQVUQFZDRVIE-UHFFFAOYSA-N 0 3 283.350 3.697 20 30 CHEDHN Cc1ccc(Nc2ccccc2CN(C)C)cc1C#N ZINC001173930861 1132644923 /nfs/dbraw/zinc/64/49/23/1132644923.db2.gz APSRDAXAPAMVKX-UHFFFAOYSA-N 0 3 265.360 3.672 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cccc(C#N)c1F ZINC001173932370 1132646460 /nfs/dbraw/zinc/64/64/60/1132646460.db2.gz UDSOXMABTVQMDX-UHFFFAOYSA-N 0 3 269.323 3.503 20 30 CHEDHN Cc1cc(C)nc(NC(C)(C)c2ccc(C#N)cc2)c1 ZINC001156430049 1132696080 /nfs/dbraw/zinc/69/60/80/1132696080.db2.gz NKJUJTRFQGMHMW-UHFFFAOYSA-N 0 3 265.360 3.917 20 30 CHEDHN Cc1cnccc1Nc1c(Cl)cc(C#N)cc1Cl ZINC001174537605 1132897268 /nfs/dbraw/zinc/89/72/68/1132897268.db2.gz LKNPWMZTENQIGQ-UHFFFAOYSA-N 0 3 278.142 3.734 20 30 CHEDHN C#CC1(NCc2ccc(C(F)F)c(F)c2)CCCC1 ZINC001203471238 1133331534 /nfs/dbraw/zinc/33/15/34/1133331534.db2.gz LIRXCFSNJAEERJ-UHFFFAOYSA-N 0 3 267.294 3.799 20 30 CHEDHN Cc1ccccc1O[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001203760952 1133366494 /nfs/dbraw/zinc/36/64/94/1133366494.db2.gz VEXYGQWKINSYFY-GOSISDBHSA-N 0 3 292.382 3.520 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@H](C(F)F)C2)cc1 ZINC001204299835 1133432884 /nfs/dbraw/zinc/43/28/84/1133432884.db2.gz BSGHQGMGSPXLHQ-AWEZNQCLSA-N 0 3 281.346 3.729 20 30 CHEDHN Cc1c(F)cccc1CN(C)Cc1ccc(C#N)cc1 ZINC001204510882 1133455161 /nfs/dbraw/zinc/45/51/61/1133455161.db2.gz OLBFFAWODJPFSK-UHFFFAOYSA-N 0 3 268.335 3.638 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccc2c(c1)CCCC2 ZINC001205236974 1133548900 /nfs/dbraw/zinc/54/89/00/1133548900.db2.gz FGXCPUDUMURUFL-RDTXWAMCSA-N 0 3 270.420 3.778 20 30 CHEDHN C=C(CN1CCCC1)c1nc(-c2cccc3ccoc32)no1 ZINC001206100559 1133657565 /nfs/dbraw/zinc/65/75/65/1133657565.db2.gz RGXGKWNADYKAAS-UHFFFAOYSA-N 0 3 295.342 3.592 20 30 CHEDHN CC1=CCC[C@@H](C)[C@H]1CN1Cc2ccc(C#N)cc2C1 ZINC001206457838 1133705928 /nfs/dbraw/zinc/70/59/28/1133705928.db2.gz XYRKFKORDOSXRW-KDOFPFPSSA-N 0 3 266.388 3.866 20 30 CHEDHN CCCCCCCN(CC)Cc1ccncc1OC ZINC001206473728 1133706447 /nfs/dbraw/zinc/70/64/47/1133706447.db2.gz YVZGBVMCQVSNPF-UHFFFAOYSA-N 0 3 264.413 3.883 20 30 CHEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CCCC2)C12CCCCC2 ZINC001206517592 1133713277 /nfs/dbraw/zinc/71/32/77/1133713277.db2.gz XDVAGHWKGWTHIC-JKSUJKDBSA-N 0 3 290.451 3.788 20 30 CHEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@@H]1COc2ccccc2C1 ZINC001206694928 1133733585 /nfs/dbraw/zinc/73/35/85/1133733585.db2.gz ROBLKNVRTRHPQS-WBVHZDCISA-N 0 3 298.430 3.690 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cc(C)ccn1 ZINC001206854588 1133757314 /nfs/dbraw/zinc/75/73/14/1133757314.db2.gz KAQNNRVLEPHKIY-UHFFFAOYSA-N 0 3 266.388 3.968 20 30 CHEDHN C=CCN(CC=C)CCc1ccccc1Br ZINC001207531526 1133816428 /nfs/dbraw/zinc/81/64/28/1133816428.db2.gz VVGITDCEDBEKEO-UHFFFAOYSA-N 0 3 280.209 3.666 20 30 CHEDHN N#Cc1c(F)cccc1CN[C@H]1CCCc2ccccc2C1 ZINC001207707991 1133840975 /nfs/dbraw/zinc/84/09/75/1133840975.db2.gz LPCWPUXYFPTXBV-KRWDZBQOSA-N 0 3 294.373 3.735 20 30 CHEDHN C=CCCCCCCCCCN1C[C@H](CO)C[C@H](F)C1 ZINC001207895951 1133857616 /nfs/dbraw/zinc/85/76/16/1133857616.db2.gz HAOMNKHMJDBVLK-SJORKVTESA-N 0 3 285.447 3.946 20 30 CHEDHN N#Cc1ccc(CCCN2CCOC3(CCCCC3)C2)cc1 ZINC001208862258 1133954718 /nfs/dbraw/zinc/95/47/18/1133954718.db2.gz FXGYARCTNWTYDB-UHFFFAOYSA-N 0 3 298.430 3.526 20 30 CHEDHN CCCN(CCC#N)CC1CCN(c2ccccc2)CC1 ZINC001208914258 1133962498 /nfs/dbraw/zinc/96/24/98/1133962498.db2.gz LOJSBJAPNCVOLA-UHFFFAOYSA-N 0 3 285.435 3.529 20 30 CHEDHN C=CCCCCN1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001209202687 1133988093 /nfs/dbraw/zinc/98/80/93/1133988093.db2.gz NHJROGSZJPHFNH-UHFFFAOYSA-N 0 3 299.462 3.778 20 30 CHEDHN N#CCC1CCN(CCc2ccccc2C(F)(F)F)CC1 ZINC001209283987 1134001476 /nfs/dbraw/zinc/00/14/76/1134001476.db2.gz RBXYAOXBCYXQJB-UHFFFAOYSA-N 0 3 296.336 3.874 20 30 CHEDHN C=CCCCCCCCCN(C)Cc1cnn(C)c1 ZINC001209443339 1134022314 /nfs/dbraw/zinc/02/23/14/1134022314.db2.gz QVDDMKZOWDAKPQ-UHFFFAOYSA-N 0 3 263.429 3.769 20 30 CHEDHN CN(C)[C@@H]1CCOc2c(Nc3ccccc3C#N)cccc21 ZINC001210741756 1134288277 /nfs/dbraw/zinc/28/82/77/1134288277.db2.gz ADNCQVQIZMGSBQ-QGZVFWFLSA-N 0 3 293.370 3.687 20 30 CHEDHN C#Cc1cc(Nc2ccc3nc(C)[nH]c3c2)ccc1F ZINC001213074134 1134421457 /nfs/dbraw/zinc/42/14/57/1134421457.db2.gz FTZBMBGKBPAFSF-UHFFFAOYSA-N 0 3 265.291 3.735 20 30 CHEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1cccs1 ZINC000182542169 1134619134 /nfs/dbraw/zinc/61/91/34/1134619134.db2.gz GZUJWUATTHWMIY-GFCCVEGCSA-N 0 3 259.349 3.590 20 30 CHEDHN CCCCCCCCCCO[C@@H]1CCNC[C@@H]1F ZINC001217794357 1135001851 /nfs/dbraw/zinc/00/18/51/1135001851.db2.gz LLVKLZJCSJDHCP-LSDHHAIUSA-N 0 3 259.409 3.844 20 30 CHEDHN C=CCc1cccc(O[C@@H]2CNCc3ccccc32)c1 ZINC001218486925 1135115039 /nfs/dbraw/zinc/11/50/39/1135115039.db2.gz FCIAVCXPCSTOTR-GOSISDBHSA-N 0 3 265.356 3.638 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1F ZINC000316913170 1135170395 /nfs/dbraw/zinc/17/03/95/1135170395.db2.gz JPAFOJVZOVYFIB-CQSZACIVSA-N 0 3 298.361 3.887 20 30 CHEDHN N#C[C@H](O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001223714929 1135375018 /nfs/dbraw/zinc/37/50/18/1135375018.db2.gz RMYHSWIMJGMBNN-OALUTQOASA-N 0 3 292.382 3.542 20 30 CHEDHN C=CCCCCCCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224359838 1135442945 /nfs/dbraw/zinc/44/29/45/1135442945.db2.gz GQFGQNSXRVIUAL-HDICACEKSA-N 0 3 295.467 3.783 20 30 CHEDHN CCCCCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224579459 1135460424 /nfs/dbraw/zinc/46/04/24/1135460424.db2.gz CCWPPUOMZCPNOK-CGTJXYLNSA-N 0 3 295.467 3.948 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1Cl)CC1CCC1 ZINC000230316571 260171482 /nfs/dbraw/zinc/17/14/82/260171482.db2.gz FGYHFHFTSDGNHU-UHFFFAOYSA-N 0 3 262.784 3.834 20 30 CHEDHN CC[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1F ZINC000354677052 529459380 /nfs/dbraw/zinc/45/93/80/529459380.db2.gz OTJHREZKBWNDKA-NSHDSACASA-N 0 3 274.261 3.518 20 30 CHEDHN CC[C@H](NCc1ccc2cc[nH]c2n1)c1ccc(C#N)cc1 ZINC000353612219 529630161 /nfs/dbraw/zinc/63/01/61/529630161.db2.gz RNRNVRIYXPLZPT-KRWDZBQOSA-N 0 3 290.370 3.675 20 30 CHEDHN CCc1cnccc1[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353264204 529682200 /nfs/dbraw/zinc/68/22/00/529682200.db2.gz XKXKJPNRAFSRGU-ORAYPTAESA-N 0 3 291.398 3.854 20 30 CHEDHN C=C(C)COCCNCc1cnc(C2CCCCC2)s1 ZINC000532139525 328700451 /nfs/dbraw/zinc/70/04/51/328700451.db2.gz NCKGAPXOLZONHW-UHFFFAOYSA-N 0 3 294.464 3.873 20 30 CHEDHN C[C@@H](CN1CCCCC1)Nc1cccc(C(F)F)c1C#N ZINC000574770604 335046444 /nfs/dbraw/zinc/04/64/44/335046444.db2.gz KARHJAKCSMAKMF-LBPRGKRZSA-N 0 3 293.361 3.782 20 30 CHEDHN COc1ccccc1[C@H]1CC[C@H](C)CN1CCCC#N ZINC000352250294 533026194 /nfs/dbraw/zinc/02/61/94/533026194.db2.gz GAOQRAMZGDCCNR-GOEBONIOSA-N 0 3 272.392 3.772 20 30 CHEDHN N#CCCCN1CCC(c2ccnc3ccccc32)CC1 ZINC000574819296 335050230 /nfs/dbraw/zinc/05/02/30/335050230.db2.gz BIVLFSKUOLTYKD-UHFFFAOYSA-N 0 3 279.387 3.718 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000336029337 533116815 /nfs/dbraw/zinc/11/68/15/533116815.db2.gz MGCYLQQDHYUWAZ-QWRGUYRKSA-N 0 3 286.762 3.830 20 30 CHEDHN C[C@@H](NCCC[C@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000354989234 533389761 /nfs/dbraw/zinc/38/97/61/533389761.db2.gz WTXGOIWRBQMBJC-UKRRQHHQSA-N 0 3 290.382 3.697 20 30 CHEDHN COc1cc(C#N)ccc1CN(CCC(C)C)C1CC1 ZINC000347265467 533494882 /nfs/dbraw/zinc/49/48/82/533494882.db2.gz MCNWGPNNSUQFLY-UHFFFAOYSA-N 0 3 272.392 3.577 20 30 CHEDHN C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(C#N)cc1 ZINC000020129738 171017846 /nfs/dbraw/zinc/01/78/46/171017846.db2.gz ZOCIJOHTHNQSJU-ACJLOTCBSA-N 0 3 262.356 3.896 20 30 CHEDHN C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(C#N)cc1 ZINC000020129737 171018197 /nfs/dbraw/zinc/01/81/97/171018197.db2.gz ZOCIJOHTHNQSJU-SCLBCKFNSA-N 0 3 262.356 3.896 20 30 CHEDHN Cc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000037230760 260076599 /nfs/dbraw/zinc/07/65/99/260076599.db2.gz KWNNHQLHMVDMEW-OAHLLOKOSA-N 0 3 280.371 3.748 20 30 CHEDHN Cc1cnccc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000334772043 225316638 /nfs/dbraw/zinc/31/66/38/225316638.db2.gz MNAQREHFOFZDTE-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN N#CCCCCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346547940 225837696 /nfs/dbraw/zinc/83/76/96/225837696.db2.gz CBUDDKNYDSBOPI-QGZVFWFLSA-N 0 3 283.350 3.594 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3sccc32)cc1F ZINC000334671787 335081109 /nfs/dbraw/zinc/08/11/09/335081109.db2.gz PKYOYGKPHKDCDK-OAHLLOKOSA-N 0 3 286.375 3.926 20 30 CHEDHN N#Cc1ccc(CNCc2cccs2)c(C(F)(F)F)c1 ZINC000352857035 227342604 /nfs/dbraw/zinc/34/26/04/227342604.db2.gz XOCBXPYUMHYYQY-UHFFFAOYSA-N 0 3 296.317 3.928 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000351752911 227906174 /nfs/dbraw/zinc/90/61/74/227906174.db2.gz SZLJUGVVOJBXTE-CQSZACIVSA-N 0 3 296.345 3.514 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc3cccnc31)CC2 ZINC000353386210 228093567 /nfs/dbraw/zinc/09/35/67/228093567.db2.gz NEYGZJWVQFQNRO-IBGZPJMESA-N 0 3 299.377 3.884 20 30 CHEDHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1ccc(C#N)c(F)c1 ZINC000335960447 228171451 /nfs/dbraw/zinc/17/14/51/228171451.db2.gz APPOOSNWKCKKPZ-GWCFXTLKSA-N 0 3 282.309 3.926 20 30 CHEDHN N#C[C@H]1CC[C@@H](N2Cc3ccccc3C3(CCC3)C2)C1 ZINC000336131098 228193467 /nfs/dbraw/zinc/19/34/67/228193467.db2.gz VLJSNOCTFOTOCR-GOEBONIOSA-N 0 3 266.388 3.616 20 30 CHEDHN Cc1cc(C)c(CNCc2cccc(C#N)c2)cc1C ZINC000037501691 260113780 /nfs/dbraw/zinc/11/37/80/260113780.db2.gz QBZUBLIEOITVCE-UHFFFAOYSA-N 0 3 264.372 3.773 20 30 CHEDHN COCc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000037762843 260117036 /nfs/dbraw/zinc/11/70/36/260117036.db2.gz BRMWXKXLTDUFIJ-AWEZNQCLSA-N 0 3 280.371 3.555 20 30 CHEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1ccccc1Cl ZINC000497134434 260127953 /nfs/dbraw/zinc/12/79/53/260127953.db2.gz WEOJWIODURYQNV-UHFFFAOYSA-N 0 3 289.810 3.748 20 30 CHEDHN C#CC[C@H](NCc1ccc(O)c(OCC)c1)c1ccccc1 ZINC000297562264 260129097 /nfs/dbraw/zinc/12/90/97/260129097.db2.gz HFXPLQWWAZXSOO-KRWDZBQOSA-N 0 3 295.382 3.645 20 30 CHEDHN CC1(C)CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000087657857 260216671 /nfs/dbraw/zinc/21/66/71/260216671.db2.gz UQIFADFYCSRECC-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cc(C)sc1C ZINC000090450762 260358864 /nfs/dbraw/zinc/35/88/64/260358864.db2.gz NVRTXKPTRLEJEQ-LBPRGKRZSA-N 0 3 253.411 3.608 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccccc1OC(F)F ZINC000090450868 260359560 /nfs/dbraw/zinc/35/95/60/260359560.db2.gz YAONWULGWJKOHO-GFCCVEGCSA-N 0 3 285.334 3.531 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCC2(CCCC2)CC1 ZINC000130460101 260396951 /nfs/dbraw/zinc/39/69/51/260396951.db2.gz WMFSMSFGYXLNLL-UHFFFAOYSA-N 0 3 284.403 3.723 20 30 CHEDHN Cc1cc([C@H](C)NCCC(C)(C)C#N)c(C)s1 ZINC000087591680 260411790 /nfs/dbraw/zinc/41/17/90/260411790.db2.gz IQOJERCCLFWPRN-NSHDSACASA-N 0 3 250.411 3.955 20 30 CHEDHN COc1cc(C)cc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000155018686 261097291 /nfs/dbraw/zinc/09/72/91/261097291.db2.gz RVCXWWKSOCIDPI-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C[C@@H](CNc1ccc(C#N)cc1F)N(C)Cc1ccccc1 ZINC000301285709 261333065 /nfs/dbraw/zinc/33/30/65/261333065.db2.gz VFUFEZXJZYDTMN-AWEZNQCLSA-N 0 3 297.377 3.630 20 30 CHEDHN C=C[C@H](C)N[C@@H]1CCCc2c(Br)cccc21 ZINC000336745307 262009159 /nfs/dbraw/zinc/00/91/59/262009159.db2.gz QPSLHZVERGZQBQ-IINYFYTJSA-N 0 3 280.209 3.991 20 30 CHEDHN CC[C@H](NCCCC(C)(C)C#N)c1nc(C)cs1 ZINC000184343876 262017298 /nfs/dbraw/zinc/01/72/98/262017298.db2.gz GLAIVPBRPASZBO-LBPRGKRZSA-N 0 3 265.426 3.822 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(F)cc1C(F)(F)F ZINC000497197735 262100958 /nfs/dbraw/zinc/10/09/58/262100958.db2.gz HGIPNALKQNHALM-UHFFFAOYSA-N 0 3 261.262 3.852 20 30 CHEDHN C=CC[C@H](CC)NCc1ccc(OC)cc1Br ZINC000393815173 262202169 /nfs/dbraw/zinc/20/21/69/262202169.db2.gz WEOODBVXCCHOGY-LBPRGKRZSA-N 0 3 298.224 3.902 20 30 CHEDHN N#CCC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000193039340 262215188 /nfs/dbraw/zinc/21/51/88/262215188.db2.gz SCBYFEQLXFJBGK-XIRDDKMYSA-N 0 3 267.376 3.703 20 30 CHEDHN C=CCOc1ccccc1CNC[C@@H]1CCCC1(F)F ZINC000390642876 262233679 /nfs/dbraw/zinc/23/36/79/262233679.db2.gz LKNOLKPVBHXELR-AWEZNQCLSA-N 0 3 281.346 3.776 20 30 CHEDHN C=CCC[C@H](CCC)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000364671632 262256688 /nfs/dbraw/zinc/25/66/88/262256688.db2.gz HYGBPHMDENOVDT-HOTGVXAUSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000364671632 262256689 /nfs/dbraw/zinc/25/66/89/262256689.db2.gz HYGBPHMDENOVDT-HOTGVXAUSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CCC[C@H](CCC)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000364671632 262256690 /nfs/dbraw/zinc/25/66/90/262256690.db2.gz HYGBPHMDENOVDT-HOTGVXAUSA-N 0 3 284.407 3.619 20 30 CHEDHN CC(C)C[C@@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000339069339 262592181 /nfs/dbraw/zinc/59/21/81/262592181.db2.gz BWDPYQKCISQLLN-MRXNPFEDSA-N 0 3 294.826 3.947 20 30 CHEDHN CCCOc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1OC ZINC000411459900 262694463 /nfs/dbraw/zinc/69/44/63/262694463.db2.gz ZUYWGNKOCJJDLV-ZIAGYGMSSA-N 0 3 290.407 3.827 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000271989056 263000874 /nfs/dbraw/zinc/00/08/74/263000874.db2.gz DGCMOGZIXFBWKG-ZIAGYGMSSA-N 0 3 292.448 3.576 20 30 CHEDHN CN(CCC(C)(C)C#N)Cc1ccccc1N1CCCC1 ZINC000272009608 263001179 /nfs/dbraw/zinc/00/11/79/263001179.db2.gz KAIIMRMECAPNCG-UHFFFAOYSA-N 0 3 285.435 3.658 20 30 CHEDHN CC1(C#N)CCN(CCOc2cccc3ccccc32)CC1 ZINC000272630653 263007801 /nfs/dbraw/zinc/00/78/01/263007801.db2.gz WGWPRIIYTJCHTP-UHFFFAOYSA-N 0 3 294.398 3.844 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(N2CCCCC2)c(F)c1 ZINC000273187638 263013703 /nfs/dbraw/zinc/01/37/03/263013703.db2.gz GGHLZKILKRKSFD-CQSZACIVSA-N 0 3 289.398 3.770 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(OC(F)F)c1 ZINC000274604216 263027508 /nfs/dbraw/zinc/02/75/08/263027508.db2.gz IPMYRTQTAADYRU-GVXVVHGQSA-N 0 3 280.318 3.631 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(OC(F)F)c1 ZINC000274604212 263027545 /nfs/dbraw/zinc/02/75/45/263027545.db2.gz IPMYRTQTAADYRU-DMDPSCGWSA-N 0 3 280.318 3.631 20 30 CHEDHN Cc1ccc2[nH]c([C@H]3CCCN([C@@H](C)CCC#N)C3)nc2c1 ZINC000276306121 263036071 /nfs/dbraw/zinc/03/60/71/263036071.db2.gz LDEPZMVMTUBMGQ-GJZGRUSLSA-N 0 3 296.418 3.743 20 30 CHEDHN Cc1ccc2nc([C@H]3CCCN([C@@H](C)CCC#N)C3)[nH]c2c1 ZINC000276306121 263036072 /nfs/dbraw/zinc/03/60/72/263036072.db2.gz LDEPZMVMTUBMGQ-GJZGRUSLSA-N 0 3 296.418 3.743 20 30 CHEDHN CC(C)(C#N)CCCCN(Cc1cccnc1)C1CC1 ZINC000277726096 263043129 /nfs/dbraw/zinc/04/31/29/263043129.db2.gz NTVVGHZBESJKAS-UHFFFAOYSA-N 0 3 271.408 3.766 20 30 CHEDHN CC[C@H](CC#N)NCCCc1c(F)cccc1Cl ZINC000278483394 263048464 /nfs/dbraw/zinc/04/84/64/263048464.db2.gz JXQYRDBCOCPWQM-LLVKDONJSA-N 0 3 268.763 3.694 20 30 CHEDHN CN(Cc1ccccc1C(F)(F)F)[C@@H]1CC[C@@H](C#N)C1 ZINC000278564443 263048893 /nfs/dbraw/zinc/04/88/93/263048893.db2.gz ISHQVBDDOXBNSH-DGCLKSJQSA-N 0 3 282.309 3.829 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281102261 263066481 /nfs/dbraw/zinc/06/64/81/263066481.db2.gz AMZXCALENONYJX-SMDDNHRTSA-N 0 3 284.325 3.918 20 30 CHEDHN N#Cc1ccc(CNC[C@@H]2CCCC(F)(F)C2)c(F)c1 ZINC000281968249 263073210 /nfs/dbraw/zinc/07/32/10/263073210.db2.gz JVRVOASDLCTRNZ-GFCCVEGCSA-N 0 3 282.309 3.612 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)Cc1cccc(Cl)c1 ZINC000282852789 263079196 /nfs/dbraw/zinc/07/91/96/263079196.db2.gz SYSRSXSPPVHFPR-RISCZKNCSA-N 0 3 250.773 3.553 20 30 CHEDHN CSCc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000285567759 263094339 /nfs/dbraw/zinc/09/43/39/263094339.db2.gz GKGNGEVDQUUALX-CVEARBPZSA-N 0 3 274.433 3.722 20 30 CHEDHN CC(C)O[C@H](CN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000293352440 263139466 /nfs/dbraw/zinc/13/94/66/263139466.db2.gz YAKYUNXBUBGSGK-QGZVFWFLSA-N 0 3 286.419 3.778 20 30 CHEDHN CC(C)(CCC#N)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000293996997 263153885 /nfs/dbraw/zinc/15/38/85/263153885.db2.gz SMMPOVVPZLWMQS-OAHLLOKOSA-N 0 3 271.408 3.794 20 30 CHEDHN CSc1ccccc1CN(C)[C@H]1CC[C@H](C#N)C1 ZINC000294076864 263155725 /nfs/dbraw/zinc/15/57/25/263155725.db2.gz KZZJCHTXVMUTKJ-JSGCOSHPSA-N 0 3 260.406 3.533 20 30 CHEDHN N#CCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294101452 263156016 /nfs/dbraw/zinc/15/60/16/263156016.db2.gz JKGPZSLBXAKXTA-SFHVURJKSA-N 0 3 294.398 3.959 20 30 CHEDHN C=C[C@@H](CO)N[C@@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000353569205 263172433 /nfs/dbraw/zinc/17/24/33/263172433.db2.gz KNCOFXKTWLJLPE-FZMZJTMJSA-N 0 3 288.218 3.971 20 30 CHEDHN C[C@H](CCC#N)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000297960986 263213107 /nfs/dbraw/zinc/21/31/07/263213107.db2.gz ULVKYSPPZMMMEV-GFCCVEGCSA-N 0 3 294.345 3.500 20 30 CHEDHN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)CCC#N)c1 ZINC000299184673 263234371 /nfs/dbraw/zinc/23/43/71/263234371.db2.gz ADMAEIOPKAIQRR-UONOGXRCSA-N 0 3 260.381 3.817 20 30 CHEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccccc1SCC ZINC000453335544 263240653 /nfs/dbraw/zinc/24/06/53/263240653.db2.gz AHNREVQPZKUTRB-KGLIPLIRSA-N 0 3 279.449 3.776 20 30 CHEDHN C=CCC1(CN[C@@H](C)c2nccnc2C)CCCC1 ZINC000453361555 263252443 /nfs/dbraw/zinc/25/24/43/263252443.db2.gz KJMXCZHDEOWJAW-AWEZNQCLSA-N 0 3 259.397 3.572 20 30 CHEDHN CC(C)[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCS1 ZINC000187711862 263266803 /nfs/dbraw/zinc/26/68/03/263266803.db2.gz ZKYLHTKZXXRCKJ-BBRMVZONSA-N 0 3 274.433 3.693 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](CC(F)(F)F)c1ccccc1 ZINC000341571950 263342037 /nfs/dbraw/zinc/34/20/37/263342037.db2.gz IQCBUIARECZIFX-UONOGXRCSA-N 0 3 287.325 3.597 20 30 CHEDHN COCC1(C#N)CCN(Cc2ccc(C3CCC3)cc2)CC1 ZINC000341987694 263381291 /nfs/dbraw/zinc/38/12/91/263381291.db2.gz HNOULNDLCKGYJD-UHFFFAOYSA-N 0 3 298.430 3.706 20 30 CHEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@H]1C ZINC000331203500 264161106 /nfs/dbraw/zinc/16/11/06/264161106.db2.gz RJNTYVNHDFIDKU-FZCLSBEQSA-N 0 3 298.430 3.700 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)C1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331358633 264208572 /nfs/dbraw/zinc/20/85/72/264208572.db2.gz VLEWTHWOFZVEAZ-HSMVNMDESA-N 0 3 285.391 3.549 20 30 CHEDHN COCc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425365564 264210903 /nfs/dbraw/zinc/21/09/03/264210903.db2.gz LTFQQYYRSCYQMF-HNNXBMFYSA-N 0 3 294.398 3.898 20 30 CHEDHN CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NCCC#N)cc1 ZINC000425967357 264238593 /nfs/dbraw/zinc/23/85/93/264238593.db2.gz NROGJILBEAVNCJ-IRXDYDNUSA-N 0 3 272.392 3.613 20 30 CHEDHN CSCc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000189483832 264302738 /nfs/dbraw/zinc/30/27/38/264302738.db2.gz RVIOTIKLSOAGLR-UHFFFAOYSA-N 0 3 288.441 3.773 20 30 CHEDHN Cc1c2ccccc2oc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000334503817 264352375 /nfs/dbraw/zinc/35/23/75/264352375.db2.gz AHTQZWFKJLIMSV-QWHCGFSZSA-N 0 3 254.333 3.523 20 30 CHEDHN CCC[C@@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000345754193 265096933 /nfs/dbraw/zinc/09/69/33/265096933.db2.gz CVMSPLMCAIGICI-ZWNOBZJWSA-N 0 3 298.308 3.822 20 30 CHEDHN N#CCC[C@H](C#N)CNC[C@H]1CCC[C@H]1c1ccccc1 ZINC000520377421 265790879 /nfs/dbraw/zinc/79/08/79/265790879.db2.gz JDFXOHYCGWMPFZ-NXHRZFHOSA-N 0 3 281.403 3.603 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](c1cccnc1)C1CC1)CC2 ZINC000353260632 266036496 /nfs/dbraw/zinc/03/64/96/266036496.db2.gz FUIVSIABHBQDGQ-RTBURBONSA-N 0 3 289.382 3.681 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCSC1 ZINC000369492850 267246935 /nfs/dbraw/zinc/24/69/35/267246935.db2.gz WYDSPQLGZYCDHO-UAGQMJEPSA-N 0 3 286.444 3.511 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000118390147 267251765 /nfs/dbraw/zinc/25/17/65/267251765.db2.gz LCRZLHXNVSNYOE-AWEZNQCLSA-N 0 3 262.356 3.678 20 30 CHEDHN N#CCCCN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000369736241 267261542 /nfs/dbraw/zinc/26/15/42/267261542.db2.gz AYZGXDCMYLQERL-UHFFFAOYSA-N 0 3 280.774 3.904 20 30 CHEDHN CC(C)Cc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000170644077 327648803 /nfs/dbraw/zinc/64/88/03/327648803.db2.gz HTPUWGCBGWJYCB-UHFFFAOYSA-N 0 3 256.393 3.621 20 30 CHEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000186704447 327700935 /nfs/dbraw/zinc/70/09/35/327700935.db2.gz GEPFJAAQEQQRTK-GXSJLCMTSA-N 0 3 274.191 3.581 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(F)c(Cl)c2)C1 ZINC000185807518 327845857 /nfs/dbraw/zinc/84/58/57/327845857.db2.gz VOXPZSNKBDDKKW-CMPLNLGQSA-N 0 3 266.747 3.651 20 30 CHEDHN CO[C@@H](CN[C@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000185846970 327847742 /nfs/dbraw/zinc/84/77/42/327847742.db2.gz XBLQUDMYSZWQHQ-RCBQFDQVSA-N 0 3 292.810 3.699 20 30 CHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 ZINC000185845497 327847811 /nfs/dbraw/zinc/84/78/11/327847811.db2.gz SXACRZXZJIOVKV-YQQAZPJKSA-N 0 3 294.402 3.605 20 30 CHEDHN C=CCOCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000388350115 327872774 /nfs/dbraw/zinc/87/27/74/327872774.db2.gz AIUBTDLMKHSXOB-NSHDSACASA-N 0 3 273.298 3.559 20 30 CHEDHN C=CCOCCN[C@@H](C)c1ccccc1C(F)(F)F ZINC000388588879 327910940 /nfs/dbraw/zinc/91/09/40/327910940.db2.gz YJJGENRFPRWJGK-NSHDSACASA-N 0 3 273.298 3.559 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000320156000 327947301 /nfs/dbraw/zinc/94/73/01/327947301.db2.gz ADJREQRYKWTCAY-WDEREUQCSA-N 0 3 288.218 3.971 20 30 CHEDHN C[C@]1(c2ccccc2)CCN(Cc2ccccc2C#N)C1 ZINC000531780945 328033340 /nfs/dbraw/zinc/03/33/40/328033340.db2.gz DGCDGSMGNAZZLH-IBGZPJMESA-N 0 3 276.383 3.722 20 30 CHEDHN COc1c(C)cc(CN(C)Cc2cccc(C#N)c2)cc1C ZINC000110294878 328044504 /nfs/dbraw/zinc/04/45/04/328044504.db2.gz BHTRLPCSRUBERD-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN C=C(C)COCCNCc1cc2cc(C)c(C)cc2o1 ZINC000531883952 328114525 /nfs/dbraw/zinc/11/45/25/328114525.db2.gz VTFWLCQKILTXJM-UHFFFAOYSA-N 0 3 273.376 3.732 20 30 CHEDHN N#CCCC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000571524006 328132663 /nfs/dbraw/zinc/13/26/63/328132663.db2.gz YLYXZQIEVIKAQK-UHFFFAOYSA-N 0 3 294.402 3.592 20 30 CHEDHN Cc1ccc(C(=O)C2CCN([C@@H](C)CCC#N)CC2)c(C)c1 ZINC000571620444 328137800 /nfs/dbraw/zinc/13/78/00/328137800.db2.gz MYQAIWLWAYOGTN-INIZCTEOSA-N 0 3 298.430 3.890 20 30 CHEDHN C=CCC[C@@H](NCc1cnc(CC)nc1)c1ccccc1 ZINC000414357273 328154795 /nfs/dbraw/zinc/15/47/95/328154795.db2.gz BYXHUADZYSWDCR-QGZVFWFLSA-N 0 3 281.403 3.836 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)NCc1ncc(CC)s1 ZINC000414543073 328193331 /nfs/dbraw/zinc/19/33/31/328193331.db2.gz YRPWHGTYLRKIHQ-OAHLLOKOSA-N 0 3 286.444 3.983 20 30 CHEDHN C[C@H](c1cccs1)N(C)CCOc1ccccc1C#N ZINC000048554228 328312320 /nfs/dbraw/zinc/31/23/20/328312320.db2.gz OFQNAZQMWCZVSM-CYBMUJFWSA-N 0 3 286.400 3.692 20 30 CHEDHN N#CC1(CNCC(c2ccccc2)c2ccccc2)CC1 ZINC000563699061 328481324 /nfs/dbraw/zinc/48/13/24/328481324.db2.gz ZIJNFEHJMLSBFH-UHFFFAOYSA-N 0 3 276.383 3.712 20 30 CHEDHN C=CCC[C@@H](NCCC(=O)Nc1ccccc1)c1ccco1 ZINC000286339467 328521767 /nfs/dbraw/zinc/52/17/67/328521767.db2.gz YGRRGKKEETYKEE-MRXNPFEDSA-N 0 3 298.386 3.905 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000062257424 326792570 /nfs/dbraw/zinc/79/25/70/326792570.db2.gz XKYDXNUCUXTQLJ-QGZVFWFLSA-N 0 3 282.774 3.989 20 30 CHEDHN C=CCCC[C@H](C)NCc1cc(F)ccc1OC ZINC000398178150 326872918 /nfs/dbraw/zinc/87/29/18/326872918.db2.gz NDDNITCYCVGNHP-LBPRGKRZSA-N 0 3 251.345 3.669 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)CC(C)(C)C)c1ccco1 ZINC000552058280 326874327 /nfs/dbraw/zinc/87/43/27/326874327.db2.gz AGJRWNKLBZCANX-KBPBESRZSA-N 0 3 265.397 3.674 20 30 CHEDHN Cc1csc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000344609693 327047399 /nfs/dbraw/zinc/04/73/99/327047399.db2.gz JHTFOWPRMBLATE-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CCC(c3ccccc3F)CC2)C1 ZINC000518571968 327176954 /nfs/dbraw/zinc/17/69/54/327176954.db2.gz RIQWLDACCJCCHT-HIFRSBDPSA-N 0 3 272.367 3.697 20 30 CHEDHN C=C1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000518677441 327192396 /nfs/dbraw/zinc/19/23/96/327192396.db2.gz OABYJKCXCJPTOK-UHFFFAOYSA-N 0 3 267.372 3.871 20 30 CHEDHN CC/C=C\CNCc1ccc(C#N)cc1C(F)(F)F ZINC000449460789 327228054 /nfs/dbraw/zinc/22/80/54/327228054.db2.gz SCIJGDQPOFUSCV-ARJAWSKDSA-N 0 3 268.282 3.633 20 30 CHEDHN N#Cc1ccc(OCCN(Cc2cccs2)C2CC2)cc1 ZINC000042349984 327237565 /nfs/dbraw/zinc/23/75/65/327237565.db2.gz NDRHRNMGJZIFHB-UHFFFAOYSA-N 0 3 298.411 3.663 20 30 CHEDHN C=CCN1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000559438498 327245269 /nfs/dbraw/zinc/24/52/69/327245269.db2.gz BZHGEVXPOIASGQ-UHFFFAOYSA-N 0 3 285.309 3.951 20 30 CHEDHN C=C(C)CCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000449477232 327247267 /nfs/dbraw/zinc/24/72/67/327247267.db2.gz ORFWHYULFLLOFZ-UHFFFAOYSA-N 0 3 275.783 3.582 20 30 CHEDHN C=CC(C)(C)CNCc1nc2ccc(Cl)cc2n1C ZINC000449486152 327266425 /nfs/dbraw/zinc/26/64/25/327266425.db2.gz QNSPPIBUNPKAMW-UHFFFAOYSA-N 0 3 277.799 3.529 20 30 CHEDHN CSc1ccc2c(c1)[C@@H](NCCCC#N)CCC2 ZINC000564972669 327296576 /nfs/dbraw/zinc/29/65/76/327296576.db2.gz MTXCZYZGIIOKLI-HNNXBMFYSA-N 0 3 260.406 3.679 20 30 CHEDHN C=CCC[C@@H](N[C@H](CO)Cc1ccccc1C)c1ccco1 ZINC000560549084 327323106 /nfs/dbraw/zinc/32/31/06/327323106.db2.gz LYWPFJYIYKBAJE-ZWKOTPCHSA-N 0 3 299.414 3.789 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000155650705 327394832 /nfs/dbraw/zinc/39/48/32/327394832.db2.gz WUJCXEFSHQXXEK-GFCCVEGCSA-N 0 3 283.799 3.592 20 30 CHEDHN C[C@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)cc1F ZINC000151141262 327443011 /nfs/dbraw/zinc/44/30/11/327443011.db2.gz KNBHSSVCGGSEIS-KBPBESRZSA-N 0 3 282.362 3.979 20 30 CHEDHN Cc1ccc2c(c1)OCCC[C@@H]2NCc1cccc(C#N)c1 ZINC000151374448 327549620 /nfs/dbraw/zinc/54/96/20/327549620.db2.gz GFCNSRDVZONYRM-SFHVURJKSA-N 0 3 292.382 3.870 20 30 CHEDHN CO[C@H](c1ccccc1)[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000570682008 327610733 /nfs/dbraw/zinc/61/07/33/327610733.db2.gz MNHRSMINGUSFOO-BEFAXECRSA-N 0 3 294.398 3.618 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000399129953 328665977 /nfs/dbraw/zinc/66/59/77/328665977.db2.gz MUHQSEOABBVNKL-ZDUSSCGKSA-N 0 3 268.335 3.743 20 30 CHEDHN COc1cc(C)cc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000564007406 328853670 /nfs/dbraw/zinc/85/36/70/328853670.db2.gz CYIPYJGWAXLOAW-LJQANCHMSA-N 0 3 292.382 3.652 20 30 CHEDHN C=CCCC[C@H](C)NCc1ccc(Br)o1 ZINC000308839302 332829150 /nfs/dbraw/zinc/82/91/50/332829150.db2.gz JKWOTGDOXSGMKB-JTQLQIEISA-N 0 3 272.186 3.877 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCC[C@@H]1F ZINC000582561168 329112011 /nfs/dbraw/zinc/11/20/11/329112011.db2.gz WZXQARQQXKRSQJ-GVDBMIGSSA-N 0 3 272.367 3.806 20 30 CHEDHN CCCCCCCN1CCC(c2nc(C)no2)CC1 ZINC000172651730 329136307 /nfs/dbraw/zinc/13/63/07/329136307.db2.gz ZZWRWNNMWPTFNC-UHFFFAOYSA-N 0 3 265.401 3.528 20 30 CHEDHN C=CC[C@H]1N(Cc2ccc(C#N)cn2)CCCC1(C)C ZINC000582793521 329210344 /nfs/dbraw/zinc/21/03/44/329210344.db2.gz FFAUFEIQTSBLFW-MRXNPFEDSA-N 0 3 269.392 3.520 20 30 CHEDHN CC(C)N(CCc1nccs1)Cc1ccc(C#N)s1 ZINC000180025961 329214654 /nfs/dbraw/zinc/21/46/54/329214654.db2.gz TVMSXTFNXBSOKZ-UHFFFAOYSA-N 0 3 291.445 3.529 20 30 CHEDHN C=CCSCCN[C@@H]1CCCOc2ccc(C)cc21 ZINC000180458450 329217282 /nfs/dbraw/zinc/21/72/82/329217282.db2.gz YXBGQCRTKUUJCA-OAHLLOKOSA-N 0 3 277.433 3.718 20 30 CHEDHN C=CCSCCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000180459524 329217614 /nfs/dbraw/zinc/21/76/14/329217614.db2.gz BGHFVWIHCOKXLF-ZDUSSCGKSA-N 0 3 295.448 3.582 20 30 CHEDHN N#Cc1ccccc1-c1ccc(CNCc2ccncc2)cc1 ZINC000180335476 329219803 /nfs/dbraw/zinc/21/98/03/329219803.db2.gz WNBAXEGDUOROAJ-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN CC(C)(CCC#N)CN1Cc2ccccc2C2(CC2)C1 ZINC000187677454 329362176 /nfs/dbraw/zinc/36/21/76/329362176.db2.gz LQDTYRZHTPKDMZ-UHFFFAOYSA-N 0 3 268.404 3.864 20 30 CHEDHN C=CCSCCNCc1c(C)oc2ccccc21 ZINC000230154964 329363259 /nfs/dbraw/zinc/36/32/59/329363259.db2.gz LMLPYYUKWGVBTA-UHFFFAOYSA-N 0 3 261.390 3.750 20 30 CHEDHN C=CCC[C@@H](CO)NCc1c(Cl)oc2ccccc21 ZINC000321534057 329372348 /nfs/dbraw/zinc/37/23/48/329372348.db2.gz ZAYCFAQIUPDCRG-NSHDSACASA-N 0 3 279.767 3.503 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000195252144 329692430 /nfs/dbraw/zinc/69/24/30/329692430.db2.gz NMDQNIAGWAAIFS-MOPGFXCFSA-N 0 3 292.382 3.568 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCSc3ccccc32)C1 ZINC000248835547 329900458 /nfs/dbraw/zinc/90/04/58/329900458.db2.gz NACJMVGYJKKVHQ-VNHYZAJKSA-N 0 3 272.417 3.895 20 30 CHEDHN C=CCCCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000571724505 329917057 /nfs/dbraw/zinc/91/70/57/329917057.db2.gz MAZSKSGAXQACAU-HNNXBMFYSA-N 0 3 267.800 3.973 20 30 CHEDHN COc1cccc2c1CCC[C@@H]2NCC(C)(C)CC#N ZINC000572128331 329946771 /nfs/dbraw/zinc/94/67/71/329946771.db2.gz ORPMGWSBXWUNPU-HNNXBMFYSA-N 0 3 272.392 3.602 20 30 CHEDHN C#CCCOc1ccc(CNCc2sccc2C)cc1 ZINC000264982307 330062035 /nfs/dbraw/zinc/06/20/35/330062035.db2.gz UZOCPJXTAFRPIX-UHFFFAOYSA-N 0 3 285.412 3.748 20 30 CHEDHN C=CCC[C@@H](CC)NCc1csc([C@H](C)OC)n1 ZINC000268894739 330066732 /nfs/dbraw/zinc/06/67/32/330066732.db2.gz AMPHMGFLMLDLEE-NWDGAFQWSA-N 0 3 268.426 3.685 20 30 CHEDHN C=CCC[C@H](NCc1csc([C@@H](C)OC)n1)C1CC1 ZINC000269681669 330070273 /nfs/dbraw/zinc/07/02/73/330070273.db2.gz IGDJEDPORFMWNQ-RISCZKNCSA-N 0 3 280.437 3.685 20 30 CHEDHN C=CCSCCN[C@H](C)c1ccc(SC)c(OC)c1 ZINC000271452197 330079877 /nfs/dbraw/zinc/07/98/77/330079877.db2.gz IIVQFKVVLQAYGC-GFCCVEGCSA-N 0 3 297.489 3.987 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(Cl)cc1OC ZINC000421853102 330088348 /nfs/dbraw/zinc/08/83/48/330088348.db2.gz IMQKTVXIMIXHGL-GLQYFDAESA-N 0 3 295.810 3.733 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000572446651 330093324 /nfs/dbraw/zinc/09/33/24/330093324.db2.gz ALCXHVIXASIEQJ-HZPDHXFCSA-N 0 3 297.427 3.831 20 30 CHEDHN C#CCOc1ccccc1C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000274978050 330108358 /nfs/dbraw/zinc/10/83/58/330108358.db2.gz YXFBOOPMTPQXAN-QGZVFWFLSA-N 0 3 295.382 3.645 20 30 CHEDHN C=CCCCNCc1cc2cnn(C(C)C)c2nc1Cl ZINC000279208785 330122453 /nfs/dbraw/zinc/12/24/53/330122453.db2.gz VVNAMZLYPFNANM-UHFFFAOYSA-N 0 3 292.814 3.721 20 30 CHEDHN C=CCC[C@H](NCc1cc(C)cc(N)c1)c1ccco1 ZINC000423476545 330205708 /nfs/dbraw/zinc/20/57/08/330205708.db2.gz KKNJIYDPCANUOD-INIZCTEOSA-N 0 3 270.376 3.967 20 30 CHEDHN CC(C)C[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000396871807 330228211 /nfs/dbraw/zinc/22/82/11/330228211.db2.gz OMJRUMYWGSZLNQ-HNNXBMFYSA-N 0 3 260.356 3.708 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccnc(C)c1 ZINC000527533708 330262892 /nfs/dbraw/zinc/26/28/92/330262892.db2.gz LYGLDDHMHRBCAO-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN C=CC(C)(C)CN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527903624 330289577 /nfs/dbraw/zinc/28/95/77/330289577.db2.gz JECGZENIPQSDEA-CQSZACIVSA-N 0 3 283.419 3.950 20 30 CHEDHN CC(C)Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424193078 330324209 /nfs/dbraw/zinc/32/42/09/330324209.db2.gz JQQHMXSBJPKLBV-DLBZAZTESA-N 0 3 256.393 3.667 20 30 CHEDHN CCc1oc2ccccc2c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424208664 330328102 /nfs/dbraw/zinc/32/81/02/330328102.db2.gz YOGNOLWZPVZMMK-QWHCGFSZSA-N 0 3 268.360 3.777 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(F)cc1Cl ZINC000424296454 330336074 /nfs/dbraw/zinc/33/60/74/330336074.db2.gz OOUMAIAJBIQFNX-ZETOZRRWSA-N 0 3 283.774 3.721 20 30 CHEDHN COc1cccc2cc([C@H](C)N[C@@H]3CC[C@H](C#N)C3)oc21 ZINC000424319057 330339827 /nfs/dbraw/zinc/33/98/27/330339827.db2.gz DJJRXBVLTFKZPU-SGMGOOAPSA-N 0 3 284.359 3.784 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1csc(Cl)c1 ZINC000424324475 330341012 /nfs/dbraw/zinc/34/10/12/330341012.db2.gz KBBHXZKOUDBSKI-WCABBAIRSA-N 0 3 254.786 3.744 20 30 CHEDHN CC1(C)C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2cc([N+](=O)[O-])ccc21 ZINC000424326492 330341353 /nfs/dbraw/zinc/34/13/53/330341353.db2.gz LVTSKIKKGZCVOP-OZVIIMIRSA-N 0 3 299.374 3.599 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000424327898 330341685 /nfs/dbraw/zinc/34/16/85/330341685.db2.gz NEOGNFODLMTGHE-NWDGAFQWSA-N 0 3 296.436 3.715 20 30 CHEDHN Cc1cc(C)cc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000046856581 330357208 /nfs/dbraw/zinc/35/72/08/330357208.db2.gz PQFQMSJFWVVQIS-UHFFFAOYSA-N 0 3 264.372 3.807 20 30 CHEDHN C=C(CC)CN(C)CCOc1ccccc1Cl ZINC000536880263 330358140 /nfs/dbraw/zinc/35/81/40/330358140.db2.gz AINIRTNVMHBQEM-UHFFFAOYSA-N 0 3 253.773 3.617 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(Br)c1 ZINC000088249670 330375054 /nfs/dbraw/zinc/37/50/54/330375054.db2.gz MLLMZBBGRNAMRF-LLVKDONJSA-N 0 3 293.208 3.794 20 30 CHEDHN C=C(C)CNCc1ccc(OC(F)F)c(Cl)c1 ZINC000119629290 330377914 /nfs/dbraw/zinc/37/79/14/330377914.db2.gz XFODCCWWZPOTSN-UHFFFAOYSA-N 0 3 261.699 3.607 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2F)CC(C)(C)C1 ZINC000544117969 330378794 /nfs/dbraw/zinc/37/87/94/330378794.db2.gz SUFNWYPLRAIVDQ-LBPRGKRZSA-N 0 3 260.356 3.565 20 30 CHEDHN N#CC1CCN(Cc2cccc3ccccc32)CC1 ZINC000057907543 330381071 /nfs/dbraw/zinc/38/10/71/330381071.db2.gz RZQORMPYEQSFSD-UHFFFAOYSA-N 0 3 250.345 3.575 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000537021542 330385351 /nfs/dbraw/zinc/38/53/51/330385351.db2.gz BOCGBVSMCPZTQD-HNNXBMFYSA-N 0 3 295.386 3.615 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000537022513 330385561 /nfs/dbraw/zinc/38/55/61/330385561.db2.gz OIRZYQIRJKGASZ-HNNXBMFYSA-N 0 3 282.387 3.887 20 30 CHEDHN CN(Cc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc21 ZINC000541280426 330391988 /nfs/dbraw/zinc/39/19/88/330391988.db2.gz ONOQGCAYWODNDK-LJQANCHMSA-N 0 3 276.383 3.872 20 30 CHEDHN CCSc1cccc(CNCC2(CC#N)CC2)c1 ZINC000430007172 330557130 /nfs/dbraw/zinc/55/71/30/330557130.db2.gz QPEXLHJUNAUUCX-UHFFFAOYSA-N 0 3 260.406 3.582 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(OC(F)F)c1 ZINC000430724826 330571472 /nfs/dbraw/zinc/57/14/72/330571472.db2.gz OZCSIZBKSHZAQT-LLVKDONJSA-N 0 3 280.318 3.632 20 30 CHEDHN COc1cc(CN[C@@H]2C[C@@H]2C2CCCCC2)ccc1C#N ZINC000440822605 330756920 /nfs/dbraw/zinc/75/69/20/330756920.db2.gz PPZGGSLXLCGXTO-IAGOWNOFSA-N 0 3 284.403 3.625 20 30 CHEDHN N#CC1CCC(CNCc2coc(-c3ccccc3)n2)CC1 ZINC000441389048 330767477 /nfs/dbraw/zinc/76/74/77/330767477.db2.gz UGFUHJCXYMWJMZ-UHFFFAOYSA-N 0 3 295.386 3.761 20 30 CHEDHN CCCOc1cc(C)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442762026 330781403 /nfs/dbraw/zinc/78/14/03/330781403.db2.gz DSIWIVAFEQFLBR-GDBMZVCRSA-N 0 3 272.392 3.566 20 30 CHEDHN Cc1cccc(O[C@H](C)CNCc2ccc(C#N)c(C)c2)c1 ZINC000443996423 330808770 /nfs/dbraw/zinc/80/87/70/330808770.db2.gz UQGZRFZONCZNEX-MRXNPFEDSA-N 0 3 294.398 3.732 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CSc3ccccc32)C1 ZINC000447539537 330868988 /nfs/dbraw/zinc/86/89/88/330868988.db2.gz HBDURTINCVIAHA-BZPMIXESSA-N 0 3 258.390 3.505 20 30 CHEDHN C=CCCOCCNCc1cc2ccccc2c(OC)c1 ZINC000449208919 330906283 /nfs/dbraw/zinc/90/62/83/330906283.db2.gz QDTNWYYHEIEKSJ-UHFFFAOYSA-N 0 3 285.387 3.531 20 30 CHEDHN CC1(C#N)CCC(N[C@H]2COc3cccc(Cl)c32)CC1 ZINC000449331273 330915053 /nfs/dbraw/zinc/91/50/53/330915053.db2.gz XXFDWTMNGWIZHR-ULKWEWGCSA-N 0 3 290.794 3.836 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000449353139 330917937 /nfs/dbraw/zinc/91/79/37/330917937.db2.gz YLULOCITTDLVGP-IETSOEAISA-N 0 3 276.330 3.624 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000449548643 330935724 /nfs/dbraw/zinc/93/57/24/330935724.db2.gz PFVPKJPLKRYZBA-KGLIPLIRSA-N 0 3 285.309 3.529 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Oc2ccccc2)o1 ZINC000449549575 330935936 /nfs/dbraw/zinc/93/59/36/330935936.db2.gz ZFBWOXZUCGPHMP-SJORKVTESA-N 0 3 299.370 3.895 20 30 CHEDHN C=C(CC)CNCc1cn(C)nc1-c1ccccc1Cl ZINC000449729695 330945829 /nfs/dbraw/zinc/94/58/29/330945829.db2.gz BMBNRWFZPSGNLR-UHFFFAOYSA-N 0 3 289.810 3.796 20 30 CHEDHN C=C(CC)CNCc1ccc(OCCC)c(OC)c1 ZINC000449729819 330946035 /nfs/dbraw/zinc/94/60/35/330946035.db2.gz BQTRHAQZYNCVAG-UHFFFAOYSA-N 0 3 263.381 3.540 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1CC1(C#N)CC1 ZINC000451194547 331019865 /nfs/dbraw/zinc/01/98/65/331019865.db2.gz ZCWZKLAVZGPJNF-YCPHGPKFSA-N 0 3 254.377 3.557 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1oc2ccccc2c1C ZINC000163516828 331049895 /nfs/dbraw/zinc/04/98/95/331049895.db2.gz SBHIBCLEWLNDIR-AWEZNQCLSA-N 0 3 273.376 3.985 20 30 CHEDHN C[C@@H](CCCc1cccnc1)NCc1ccc(C#N)cc1F ZINC000453104528 331089569 /nfs/dbraw/zinc/08/95/69/331089569.db2.gz UOKFRRNXSNUYCI-AWEZNQCLSA-N 0 3 297.377 3.593 20 30 CHEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1ccsc1 ZINC000453147109 331094179 /nfs/dbraw/zinc/09/41/79/331094179.db2.gz IRUGUXXKJGFSAL-INIZCTEOSA-N 0 3 286.400 3.739 20 30 CHEDHN C=CC(C)(C)CN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453306916 331114126 /nfs/dbraw/zinc/11/41/26/331114126.db2.gz KLKABTSIYRTZGC-AWEZNQCLSA-N 0 3 283.419 3.950 20 30 CHEDHN Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000453367831 331123649 /nfs/dbraw/zinc/12/36/49/331123649.db2.gz DSEKWGOHOXOMEL-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(Cl)s1 ZINC000453369958 331123992 /nfs/dbraw/zinc/12/39/92/331123992.db2.gz VDPFYMXKLLVIFM-AXFHLTTASA-N 0 3 271.813 3.786 20 30 CHEDHN C=CCC[C@H](NCC(C)(C)C(C)(C)O)c1ccco1 ZINC000453373440 331124442 /nfs/dbraw/zinc/12/44/42/331124442.db2.gz SPKLPGVGGTUMBU-ZDUSSCGKSA-N 0 3 265.397 3.674 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1OC(F)F ZINC000453374906 331124597 /nfs/dbraw/zinc/12/45/97/331124597.db2.gz XDAINTHZDNBZQU-YUTCNCBUSA-N 0 3 297.345 3.672 20 30 CHEDHN C[C@H](NCCOCC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000453385749 331126549 /nfs/dbraw/zinc/12/65/49/331126549.db2.gz DNWLJBTURXCFFS-ZDUSSCGKSA-N 0 3 290.382 3.555 20 30 CHEDHN CC[C@@H](NCCOC(C)(C)CC)c1ccc(C#N)cc1 ZINC000453407156 331129434 /nfs/dbraw/zinc/12/94/34/331129434.db2.gz LRELTYKXMPBWRI-MRXNPFEDSA-N 0 3 274.408 3.804 20 30 CHEDHN CC(C)(C)C1CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000459647841 331291966 /nfs/dbraw/zinc/29/19/66/331291966.db2.gz ULGTUXQYTUUDTK-UHFFFAOYSA-N 0 3 286.419 3.847 20 30 CHEDHN COc1ccc(C)cc1[C@@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000459650322 331292216 /nfs/dbraw/zinc/29/22/16/331292216.db2.gz MFXKUYZINIEHNX-KFWWJZLASA-N 0 3 272.392 3.737 20 30 CHEDHN COc1cccc(CNCC(C)(C)CC#N)c1OC(C)C ZINC000459702534 331295051 /nfs/dbraw/zinc/29/50/51/331295051.db2.gz VJHWLAPYOQLJFT-UHFFFAOYSA-N 0 3 290.407 3.512 20 30 CHEDHN Cc1cc(Cl)cc(C)c1CNCC(C)(C)CC#N ZINC000459730458 331296374 /nfs/dbraw/zinc/29/63/74/331296374.db2.gz MOPOBTUZDQRFAA-UHFFFAOYSA-N 0 3 264.800 3.986 20 30 CHEDHN CCN(CCc1c(C)noc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000164942652 331305451 /nfs/dbraw/zinc/30/54/51/331305451.db2.gz ZSKZVYOVRKUJPO-AWEZNQCLSA-N 0 3 297.402 3.789 20 30 CHEDHN CC#CCCN(CCC)[C@H](C)c1ccccc1OC ZINC000462323083 331319639 /nfs/dbraw/zinc/31/96/39/331319639.db2.gz RZIAAEGQSBWTLZ-OAHLLOKOSA-N 0 3 259.393 3.882 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H]1Cc1ccccc1 ZINC000462764527 331327975 /nfs/dbraw/zinc/32/79/75/331327975.db2.gz NXDWZGFXBJFWMS-RTBURBONSA-N 0 3 293.410 3.972 20 30 CHEDHN Cc1ccsc1CN(C)Cc1ccc(C#N)c(C)c1 ZINC000462824672 331331368 /nfs/dbraw/zinc/33/13/68/331331368.db2.gz FDCSSDAJXYTMQO-UHFFFAOYSA-N 0 3 270.401 3.869 20 30 CHEDHN C=CCOc1ccc(CN(CC)C[C@H](C)OC)cc1Cl ZINC000462833853 331331979 /nfs/dbraw/zinc/33/19/79/331331979.db2.gz QQOMAKNEVSYKMU-ZDUSSCGKSA-N 0 3 297.826 3.762 20 30 CHEDHN C=CCOc1ccc(CN(CC)[C@H]2CCOC2)cc1Cl ZINC000463039007 331338279 /nfs/dbraw/zinc/33/82/79/331338279.db2.gz WSSQJZXKDGQFRH-AWEZNQCLSA-N 0 3 295.810 3.516 20 30 CHEDHN CC(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C(F)(F)F ZINC000463417190 331347257 /nfs/dbraw/zinc/34/72/57/331347257.db2.gz VNSXHJKOMQRJTI-SECBINFHSA-N 0 3 284.281 3.625 20 30 CHEDHN C=CCOc1cccc(CN[C@@H](C)CC(F)(F)F)c1 ZINC000463714446 331350807 /nfs/dbraw/zinc/35/08/07/331350807.db2.gz BJWBSDXJTINVBO-NSHDSACASA-N 0 3 273.298 3.682 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CCC1 ZINC000464822861 331369740 /nfs/dbraw/zinc/36/97/40/331369740.db2.gz NXTZMZOCGLSPAP-SJORKVTESA-N 0 3 254.377 3.558 20 30 CHEDHN C=C(C)COCCN[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474041334 331564543 /nfs/dbraw/zinc/56/45/43/331564543.db2.gz VXSPCXOYWXUYIS-KRWDZBQOSA-N 0 3 289.419 3.600 20 30 CHEDHN C[C@H]1CCC[C@@H](CCN2CCC(F)(C#N)CC2)C1 ZINC000510952443 332921801 /nfs/dbraw/zinc/92/18/01/332921801.db2.gz ZLMUIMKYUDLTIZ-KBPBESRZSA-N 0 3 252.377 3.530 20 30 CHEDHN C=C(C)[C@@H](NC[C@H](O)CCC(C)C)c1ccc(F)c(F)c1 ZINC000482860130 331848561 /nfs/dbraw/zinc/84/85/61/331848561.db2.gz UHNKEOWPISEVNU-RHSMWYFYSA-N 0 3 297.389 3.969 20 30 CHEDHN CCS[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC000483731458 331883595 /nfs/dbraw/zinc/88/35/95/331883595.db2.gz SWKUEEPTVBDTFP-IAGOWNOFSA-N 0 3 273.445 3.692 20 30 CHEDHN C=C(C)[C@H](NC[C@H]1C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000488561023 332017516 /nfs/dbraw/zinc/01/75/16/332017516.db2.gz PZQSGOHMOZGQTA-NVBFEUDRSA-N 0 3 251.320 3.828 20 30 CHEDHN Cc1cc(CN[C@@H](CC(F)(F)F)C(C)C)ccc1C#N ZINC000489013709 332037816 /nfs/dbraw/zinc/03/78/16/332037816.db2.gz OAWYZRGOVGNUAO-AWEZNQCLSA-N 0 3 284.325 3.933 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc2ncccc2c1 ZINC000489461761 332053987 /nfs/dbraw/zinc/05/39/87/332053987.db2.gz JBNYZIBUCCSFAV-INIZCTEOSA-N 0 3 252.361 3.775 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cc(F)cc2cccnc21 ZINC000489490753 332055900 /nfs/dbraw/zinc/05/59/00/332055900.db2.gz OARDKVPWHBGOFN-INIZCTEOSA-N 0 3 270.351 3.914 20 30 CHEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1 ZINC000489492011 332056506 /nfs/dbraw/zinc/05/65/06/332056506.db2.gz PSCXCTYJZBTVMN-OAHLLOKOSA-N 0 3 292.810 3.709 20 30 CHEDHN C=CCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490054041 332078837 /nfs/dbraw/zinc/07/88/37/332078837.db2.gz NSPMWTMEYKPTNN-UHFFFAOYSA-N 0 3 260.337 3.525 20 30 CHEDHN C#CCN(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000490672261 332101925 /nfs/dbraw/zinc/10/19/25/332101925.db2.gz XXZMDYSQVPMEQC-UHFFFAOYSA-N 0 3 294.398 3.708 20 30 CHEDHN CC#CCCNCc1ccc(OCC(C)C)c(OCC)c1 ZINC000499219214 332582703 /nfs/dbraw/zinc/58/27/03/332582703.db2.gz ZPBKRYCEXYHAPD-UHFFFAOYSA-N 0 3 289.419 3.623 20 30 CHEDHN CC1(C#N)CCN(CCSC2CCCCC2)CC1 ZINC000501035321 332624852 /nfs/dbraw/zinc/62/48/52/332624852.db2.gz HZWHLAHIABJUAU-UHFFFAOYSA-N 0 3 266.454 3.678 20 30 CHEDHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1F ZINC000512282035 332961222 /nfs/dbraw/zinc/96/12/22/332961222.db2.gz SMFAHWRQYCHJIC-IAQYHMDHSA-N 0 3 290.382 3.694 20 30 CHEDHN C=C[C@H](C)N[C@H]1CCc2sc(Br)cc21 ZINC000307639580 333015549 /nfs/dbraw/zinc/01/55/49/333015549.db2.gz FUVXBDUKAAAXFM-CBAPKCEASA-N 0 3 272.211 3.662 20 30 CHEDHN Cc1ccsc1[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000404862330 333030734 /nfs/dbraw/zinc/03/07/34/333030734.db2.gz XCXSSAXXABLQEH-LLVKDONJSA-N 0 3 274.364 3.918 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1csc(Cl)c1 ZINC000309557263 333045503 /nfs/dbraw/zinc/04/55/03/333045503.db2.gz KBBHXZKOUDBSKI-ATZCPNFKSA-N 0 3 254.786 3.744 20 30 CHEDHN C#CCOc1ccccc1CNCc1ccc(CC)s1 ZINC000218216311 333129638 /nfs/dbraw/zinc/12/96/38/333129638.db2.gz QLTFUBODGVQRTC-UHFFFAOYSA-N 0 3 285.412 3.612 20 30 CHEDHN N#CCCN(CC1CC1)CC1CCC(C(F)(F)F)CC1 ZINC000185509692 333142284 /nfs/dbraw/zinc/14/22/84/333142284.db2.gz OYVFNZNKVJNUCT-UHFFFAOYSA-N 0 3 288.357 3.981 20 30 CHEDHN CCOc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185866046 333150492 /nfs/dbraw/zinc/15/04/92/333150492.db2.gz JOVRUYQFTANSRT-IUODEOHRSA-N 0 3 292.810 3.911 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1nc2cc(C)ccc2n1C ZINC000187575439 333172539 /nfs/dbraw/zinc/17/25/39/333172539.db2.gz HSSXILRHOYXXLL-UONOGXRCSA-N 0 3 271.408 3.572 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)cc1 ZINC000189348685 333191054 /nfs/dbraw/zinc/19/10/54/333191054.db2.gz VDWXAAMFZZEVIU-CYBMUJFWSA-N 0 3 268.335 3.890 20 30 CHEDHN Cn1cc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)cc1C#N ZINC000190690902 333209867 /nfs/dbraw/zinc/20/98/67/333209867.db2.gz HWLXWAKBACCMFF-QGZVFWFLSA-N 0 3 299.805 3.791 20 30 CHEDHN Cn1cc(CNC2(c3ccc(F)cc3)CCCC2)cc1C#N ZINC000190925985 333212420 /nfs/dbraw/zinc/21/24/20/333212420.db2.gz AWQJSCJRYZGBMG-UHFFFAOYSA-N 0 3 297.377 3.595 20 30 CHEDHN C=CCSCCN[C@H]1CCSc2ccc(OC)cc21 ZINC000191529098 333220775 /nfs/dbraw/zinc/22/07/75/333220775.db2.gz RXYPYRJGWHUBCO-AWEZNQCLSA-N 0 3 295.473 3.741 20 30 CHEDHN COc1ccc([C@H](NCC#Cc2ccccc2)C2CC2)cc1 ZINC000192163602 333231078 /nfs/dbraw/zinc/23/10/78/333231078.db2.gz ZDFNAABQYCTQEJ-HXUWFJFHSA-N 0 3 291.394 3.788 20 30 CHEDHN C=CCCCCCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000193356812 333248613 /nfs/dbraw/zinc/24/86/13/333248613.db2.gz YUKGYGNWYWJIIO-KRWDZBQOSA-N 0 3 287.451 3.507 20 30 CHEDHN CC1(C#N)CCN(Cc2cccc3ccccc32)CC1 ZINC000227352817 333281318 /nfs/dbraw/zinc/28/13/18/333281318.db2.gz KFDPLWVHXLHZRS-UHFFFAOYSA-N 0 3 264.372 3.965 20 30 CHEDHN C=CC[C@H](C)NCc1c(F)ccc(Br)c1F ZINC000230310618 333316438 /nfs/dbraw/zinc/31/64/38/333316438.db2.gz IWDRPFDKTKQMRK-QMMMGPOBSA-N 0 3 290.151 3.782 20 30 CHEDHN CCN(CCCCC(C)(C)C#N)Cc1ccncc1 ZINC000233443848 333352430 /nfs/dbraw/zinc/35/24/30/333352430.db2.gz RBZGRLNVCAZAFD-UHFFFAOYSA-N 0 3 259.397 3.624 20 30 CHEDHN Cc1ccc(C(=O)C2CCN(CCCCC#N)CC2)c(C)c1 ZINC000524112929 333353672 /nfs/dbraw/zinc/35/36/72/333353672.db2.gz MUBVQMQKOBJUCW-UHFFFAOYSA-N 0 3 298.430 3.892 20 30 CHEDHN COc1cc(CN[C@H](C)c2ccc(F)cc2)ccc1C#N ZINC000234950091 333363596 /nfs/dbraw/zinc/36/35/96/333363596.db2.gz RHSHSYHFMOAPPF-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000575985169 335138075 /nfs/dbraw/zinc/13/80/75/335138075.db2.gz RVETZGIEBNKSOB-XNRPHZJLSA-N 0 3 276.811 3.800 20 30 CHEDHN C=CCCOCCN[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000537952039 333549910 /nfs/dbraw/zinc/54/99/10/333549910.db2.gz NUXMTFCTFAVWRB-SUMWQHHRSA-N 0 3 277.383 3.631 20 30 CHEDHN C=C(CC)CNC1(c2ccc(F)cc2F)CCC1 ZINC000539360627 333667340 /nfs/dbraw/zinc/66/73/40/333667340.db2.gz MOSUTRHGDMLVAW-UHFFFAOYSA-N 0 3 251.320 3.900 20 30 CHEDHN CO[C@@H](C)[C@@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540318207 333725463 /nfs/dbraw/zinc/72/54/63/333725463.db2.gz NHEFVBFWAUJNSP-CABCVRRESA-N 0 3 294.398 3.738 20 30 CHEDHN C=CCSCCN[C@H](C)c1ccc(Cl)s1 ZINC000129337844 333756022 /nfs/dbraw/zinc/75/60/22/333756022.db2.gz BYGWTLIOJSFPBJ-SECBINFHSA-N 0 3 261.843 3.971 20 30 CHEDHN C=CCSCCN[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000541897433 333797766 /nfs/dbraw/zinc/79/77/66/333797766.db2.gz OUUVZDVNQCYZKV-NSHDSACASA-N 0 3 285.840 3.918 20 30 CHEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC000543521971 333879139 /nfs/dbraw/zinc/87/91/39/333879139.db2.gz CQISYGUJQIPOEQ-OAHLLOKOSA-N 0 3 294.483 3.606 20 30 CHEDHN N#Cc1cc(CN[C@H](c2cccs2)C2CC2)ccc1F ZINC000544400959 333929447 /nfs/dbraw/zinc/92/94/47/333929447.db2.gz QXZFLXHDNNYZOJ-INIZCTEOSA-N 0 3 286.375 4.000 20 30 CHEDHN C=CCC[C@@H](C)NCc1ncoc1-c1ccccc1 ZINC000544569761 333936418 /nfs/dbraw/zinc/93/64/18/333936418.db2.gz SLBXWOXTARGRSD-CYBMUJFWSA-N 0 3 256.349 3.786 20 30 CHEDHN N#CCSCCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000074981907 334021841 /nfs/dbraw/zinc/02/18/41/334021841.db2.gz CZQJCOWPDCEFQA-UHFFFAOYSA-N 0 3 294.851 3.951 20 30 CHEDHN C=C[C@H](C)N[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133257712 334031026 /nfs/dbraw/zinc/03/10/26/334031026.db2.gz GKIIRPFXSWDICI-TVQRCGJNSA-N 0 3 270.298 3.642 20 30 CHEDHN CCN(CCNCc1cc(C#N)cs1)c1ccccc1C ZINC000236869152 334076244 /nfs/dbraw/zinc/07/62/44/334076244.db2.gz YRQJSUGRBMDHEV-UHFFFAOYSA-N 0 3 299.443 3.544 20 30 CHEDHN COc1ccc([C@@H](CCC#N)NCCc2ccc(C)o2)cc1 ZINC000564317494 334080428 /nfs/dbraw/zinc/08/04/28/334080428.db2.gz MPQFEHAMCCBOAZ-GOSISDBHSA-N 0 3 298.386 3.774 20 30 CHEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](C)S1 ZINC000135255998 334122050 /nfs/dbraw/zinc/12/20/50/334122050.db2.gz QQJLMKRDCKNVCP-OKILXGFUSA-N 0 3 288.460 3.814 20 30 CHEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H](C)S1 ZINC000135256037 334122061 /nfs/dbraw/zinc/12/20/61/334122061.db2.gz QQJLMKRDCKNVCP-ZIAGYGMSSA-N 0 3 288.460 3.814 20 30 CHEDHN C=CCC[C@H](C)N[C@H](C)c1cc(F)ccc1OC ZINC000135720555 334137029 /nfs/dbraw/zinc/13/70/29/334137029.db2.gz FQRMXFSWNVZBKG-NWDGAFQWSA-N 0 3 251.345 3.840 20 30 CHEDHN C[C@H](CCc1ccc(C(F)(F)F)cc1)NC[C@H](C)C#N ZINC000549378230 334191811 /nfs/dbraw/zinc/19/18/11/334191811.db2.gz NZLMAQYCGVSNML-VXGBXAGGSA-N 0 3 284.325 3.776 20 30 CHEDHN COCc1ccccc1/C=C(\C)CN1CCC(CC#N)CC1 ZINC000552013044 334274549 /nfs/dbraw/zinc/27/45/49/334274549.db2.gz QAPSRWGSWVOMER-DTQAZKPQSA-N 0 3 298.430 3.862 20 30 CHEDHN C=CCN(CCCCCF)Cc1cccc([N+](=O)[O-])c1 ZINC000551382389 334248554 /nfs/dbraw/zinc/24/85/54/334248554.db2.gz XJBFUSXXEQPDDR-UHFFFAOYSA-N 0 3 280.343 3.723 20 30 CHEDHN N#Cc1cccc(C2(NCCc3ccc(F)c(F)c3)CC2)c1 ZINC000551707902 334258815 /nfs/dbraw/zinc/25/88/15/334258815.db2.gz CIROKTFVNPAIIJ-UHFFFAOYSA-N 0 3 298.336 3.658 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)C2)s1 ZINC000552061437 334283344 /nfs/dbraw/zinc/28/33/44/334283344.db2.gz LILVWNDNZHIKHB-OAHLLOKOSA-N 0 3 282.412 3.999 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)C(CC)CC)c1ccco1 ZINC000552246380 334307917 /nfs/dbraw/zinc/30/79/17/334307917.db2.gz SDFVVYNEBBVKAB-GJZGRUSLSA-N 0 3 265.397 3.674 20 30 CHEDHN C=CCC[C@H](N[C@@H](CO)Cc1ccc(C)cc1)c1ccco1 ZINC000552283862 334313024 /nfs/dbraw/zinc/31/30/24/334313024.db2.gz LSCLDPGSJAGTGA-MSOLQXFVSA-N 0 3 299.414 3.789 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(F)c(F)c1 ZINC000249064699 334326404 /nfs/dbraw/zinc/32/64/04/334326404.db2.gz JZNSEERMMGSJSE-FFSVYQOJSA-N 0 3 281.346 3.739 20 30 CHEDHN CCC[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000552827974 334347020 /nfs/dbraw/zinc/34/70/20/334347020.db2.gz APJRITOWMFRYBZ-ZDUSSCGKSA-N 0 3 260.356 3.709 20 30 CHEDHN CC(C)[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCS1 ZINC000252480329 334381417 /nfs/dbraw/zinc/38/14/17/334381417.db2.gz AGWBZVYHRXXYQV-CZUORRHYSA-N 0 3 274.433 3.693 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1O ZINC000553826155 334399938 /nfs/dbraw/zinc/39/99/38/334399938.db2.gz XPRYOLPPHFUZEE-OLZOCXBDSA-N 0 3 285.840 3.693 20 30 CHEDHN CCC[C@@H](NC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000567679293 334751437 /nfs/dbraw/zinc/75/14/37/334751437.db2.gz RNSMDSUJWLGYPO-GDBMZVCRSA-N 0 3 261.413 3.769 20 30 CHEDHN Cc1ccsc1CN(C)Cc1ccc(CC#N)cc1 ZINC000342712944 335185975 /nfs/dbraw/zinc/18/59/75/335185975.db2.gz BCDZASALKBYEPA-UHFFFAOYSA-N 0 3 270.401 3.755 20 30 CHEDHN CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cn1 ZINC000576885469 335260428 /nfs/dbraw/zinc/26/04/28/335260428.db2.gz UEDHRLAZCUSECY-GOSISDBHSA-N 0 3 297.377 3.921 20 30 CHEDHN C[C@H](NC[C@H](C#N)CCC#N)C1(c2ccccc2)CCCC1 ZINC000580555407 335279719 /nfs/dbraw/zinc/27/97/19/335279719.db2.gz QYGDRIIWCPKOQT-IRXDYDNUSA-N 0 3 295.430 3.920 20 30 CHEDHN N#CC1(CCN2CC[C@@H](c3ccncc3)C2)CCCCC1 ZINC000577121889 335304046 /nfs/dbraw/zinc/30/40/46/335304046.db2.gz KABANPRMSXBFAD-QGZVFWFLSA-N 0 3 283.419 3.735 20 30 CHEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)CCC(C)(C)C#N ZINC000577283933 335335418 /nfs/dbraw/zinc/33/54/18/335335418.db2.gz KJJVHTWOJPETBM-KRWDZBQOSA-N 0 3 286.419 3.944 20 30 CHEDHN CC(C)[C@@H](NCCCC#N)c1ccccc1Cl ZINC000183703584 335902230 /nfs/dbraw/zinc/90/22/30/335902230.db2.gz PEDUXKABWYBNEK-CQSZACIVSA-N 0 3 250.773 3.930 20 30 CHEDHN C[C@@H](C1CC1)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000581111823 336009976 /nfs/dbraw/zinc/00/99/76/336009976.db2.gz DWVBUQXYMFLYAD-LBPRGKRZSA-N 0 3 297.320 3.667 20 30 CHEDHN C=CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000194273563 336011375 /nfs/dbraw/zinc/01/13/75/336011375.db2.gz UIPFSLQCPGJPGT-UHFFFAOYSA-N 0 3 256.324 3.582 20 30 CHEDHN C=CCCC[C@H](C)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000581171007 336018654 /nfs/dbraw/zinc/01/86/54/336018654.db2.gz MOQDWHUKHSQKSV-ZDUSSCGKSA-N 0 3 263.429 3.884 20 30 CHEDHN CCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000581220990 336026282 /nfs/dbraw/zinc/02/62/82/336026282.db2.gz NJRXIKILWWSEMC-IBGZPJMESA-N 0 3 292.382 3.734 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)C1CCCCC1)c1ccco1 ZINC000581256732 336033148 /nfs/dbraw/zinc/03/31/48/336033148.db2.gz ISIPAFQPBGLHSD-JKSUJKDBSA-N 0 3 277.408 3.818 20 30 CHEDHN C=CCN(Cc1ccccc1)CC1(O)CCC(C)CC1 ZINC000581461191 336080944 /nfs/dbraw/zinc/08/09/44/336080944.db2.gz BUFYSARVACOFRJ-UHFFFAOYSA-N 0 3 273.420 3.616 20 30 CHEDHN N#CCC1CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000581719762 336136724 /nfs/dbraw/zinc/13/67/24/336136724.db2.gz QVZWBPUVJJRAQS-UHFFFAOYSA-N 0 3 254.377 3.690 20 30 CHEDHN C[C@@H]1C[C@H](C)CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000332234121 533782178 /nfs/dbraw/zinc/78/21/78/533782178.db2.gz QEWSCCUGCUZPGN-XJKCOSOUSA-N 0 3 285.391 3.503 20 30 CHEDHN COc1cc(CN[C@H]2C[C@@H](C)c3ccccc32)ccc1C#N ZINC000353608273 533908420 /nfs/dbraw/zinc/90/84/20/533908420.db2.gz IIFYWYACBLRCIT-ACJLOTCBSA-N 0 3 292.382 3.905 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(F)F)CC1 ZINC000336170681 534081962 /nfs/dbraw/zinc/08/19/62/534081962.db2.gz WQFZSBDQOXMCMI-NSHDSACASA-N 0 3 264.319 3.596 20 30 CHEDHN C[C@@H](CCC1CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000469766246 518177175 /nfs/dbraw/zinc/17/71/75/518177175.db2.gz BDJFMVBWDDGSCY-RYUDHWBXSA-N 0 3 260.356 3.927 20 30 CHEDHN CC(C)(C)[C@H]1C[C@H](NCc2cccc(C#N)c2)CS1 ZINC000277271318 518982719 /nfs/dbraw/zinc/98/27/19/518982719.db2.gz PTHOFAWHXZLSQI-LSDHHAIUSA-N 0 3 274.433 3.568 20 30 CHEDHN CC(C)COc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000069784901 519763061 /nfs/dbraw/zinc/76/30/61/519763061.db2.gz RVNXYFLQLWVHLT-UHFFFAOYSA-N 0 3 294.398 3.883 20 30 CHEDHN CCN(C[C@@H]1CC[C@@H](C)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000248889977 521230186 /nfs/dbraw/zinc/23/01/86/521230186.db2.gz IBFRWFXMKJDATD-CPUCHLNUSA-N 0 3 272.392 3.509 20 30 CHEDHN CCN(Cc1ccncc1)[C@@H](C)c1cccc(C#N)c1 ZINC000276056981 521422934 /nfs/dbraw/zinc/42/29/34/521422934.db2.gz PNRFPUBHSSYKNG-AWEZNQCLSA-N 0 3 265.360 3.536 20 30 CHEDHN CCSCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358560735 521714072 /nfs/dbraw/zinc/71/40/72/521714072.db2.gz FTVADQWWKMOBNQ-VXGBXAGGSA-N 0 3 280.412 3.880 20 30 CHEDHN COc1cc(CN(C)[C@@H](C)c2cccs2)ccc1C#N ZINC000234934296 522355231 /nfs/dbraw/zinc/35/52/31/522355231.db2.gz LTULHAIJBTXGQV-LBPRGKRZSA-N 0 3 286.400 3.821 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC000087824151 522877943 /nfs/dbraw/zinc/87/79/43/522877943.db2.gz GJDBTIOOGQXPNX-QGZVFWFLSA-N 0 3 280.371 3.808 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)cc3cccnc32)C1 ZINC000335286578 534755289 /nfs/dbraw/zinc/75/52/89/534755289.db2.gz WJNDMMKQSVVDMN-XHDPSFHLSA-N 0 3 285.778 3.670 20 30 CHEDHN N#Cc1csc(CN2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000353843617 534829951 /nfs/dbraw/zinc/82/99/51/534829951.db2.gz IZCXBLOEOSLDGV-HIFRSBDPSA-N 0 3 260.406 3.774 20 30 CHEDHN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(C#N)cc1 ZINC000036991936 525691121 /nfs/dbraw/zinc/69/11/21/525691121.db2.gz PHPCDGNTBYTMBA-PXAZEXFGSA-N 0 3 278.355 3.602 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289689824 526042513 /nfs/dbraw/zinc/04/25/13/526042513.db2.gz ICHOQUDSSIVFSB-COXVUDFISA-N 0 3 284.403 3.509 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278554532 526068237 /nfs/dbraw/zinc/06/82/37/526068237.db2.gz BCMNAZXJZFGGJX-WCQYABFASA-N 0 3 282.309 3.894 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1cccc(COC)c1 ZINC000352719831 526327248 /nfs/dbraw/zinc/32/72/48/526327248.db2.gz JFUSLKVXRVXPEY-UHFFFAOYSA-N 0 3 285.387 3.657 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)c(F)c1 ZINC000280519750 526626695 /nfs/dbraw/zinc/62/66/95/526626695.db2.gz AZUFONBBOVWKIC-QAQDUYKDSA-N 0 3 280.346 3.733 20 30 CHEDHN C=CCCCCCN(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000353883854 527128801 /nfs/dbraw/zinc/12/88/01/527128801.db2.gz VNZJMGKCBURJTE-UHFFFAOYSA-N 0 3 279.380 3.553 20 30 CHEDHN C=CCCC[C@@H](C)N[C@@H](CCOC)c1ccco1 ZINC000347998289 527272889 /nfs/dbraw/zinc/27/28/89/527272889.db2.gz FZOQTAUOWVGOIR-KGLIPLIRSA-N 0 3 251.370 3.692 20 30 CHEDHN C=CCC[C@H](NCC1(C(F)F)CC1)c1ccco1 ZINC000353604089 527483143 /nfs/dbraw/zinc/48/31/43/527483143.db2.gz IEZGHUIXKTUOHG-NSHDSACASA-N 0 3 255.308 3.922 20 30 CHEDHN C=CCC[C@H](N[C@@H](C)C[C@H]1CCCO1)c1ccco1 ZINC000353494561 527487415 /nfs/dbraw/zinc/48/74/15/527487415.db2.gz CUWLYZXUEXJXCM-ZNMIVQPWSA-N 0 3 263.381 3.834 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(CC)nc1 ZINC000347631994 528133072 /nfs/dbraw/zinc/13/30/72/528133072.db2.gz FZHIMSJTOBFUSE-UHFFFAOYSA-N 0 3 293.414 3.928 20 30 CHEDHN Cc1cc([C@@H](C)NCc2cccc(C#N)c2)cs1 ZINC000294286899 1125480857 /nfs/dbraw/zinc/48/08/57/1125480857.db2.gz TWCNUSHSJUYJOQ-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN C#CCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001209266583 1118020953 /nfs/dbraw/zinc/02/09/53/1118020953.db2.gz YIILQFBUYVOIPB-UHFFFAOYSA-N 0 3 297.229 3.529 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)NCc1csc(C#N)c1 ZINC000922037029 1120344450 /nfs/dbraw/zinc/34/44/50/1120344450.db2.gz WJJBXGWCNQNZOV-NSHDSACASA-N 0 3 276.327 3.686 20 30 CHEDHN C=CCN(Cc1cccc(C(F)F)c1)[C@@H](C)COC ZINC000661239649 1120742241 /nfs/dbraw/zinc/74/22/41/1120742241.db2.gz HZNOBEKDDXANOO-LBPRGKRZSA-N 0 3 269.335 3.647 20 30 CHEDHN N#CCCCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000045915439 1123134721 /nfs/dbraw/zinc/13/47/21/1123134721.db2.gz TYEHUVJLYLCLTD-UHFFFAOYSA-N 0 3 282.309 3.974 20 30 CHEDHN N#Cc1c(F)cccc1CNCC[C@H]1CCCC1(F)F ZINC000895544487 1123489845 /nfs/dbraw/zinc/48/98/45/1123489845.db2.gz JYCRZAHVDGBHJT-GFCCVEGCSA-N 0 3 282.309 3.612 20 30 CHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1SC(C)C ZINC000876675241 1124969061 /nfs/dbraw/zinc/96/90/61/1124969061.db2.gz GQMUBAPMGYMZTA-NSHDSACASA-N 0 3 298.839 3.596 20 30 CHEDHN C=CC[C@@H](C)N[C@H](COCC(C)C)c1ccco1 ZINC000878408347 1125150012 /nfs/dbraw/zinc/15/00/12/1125150012.db2.gz RJTPOAIQNLFTGA-ZIAGYGMSSA-N 0 3 251.370 3.548 20 30 CHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000532586920 1125416459 /nfs/dbraw/zinc/41/64/59/1125416459.db2.gz ZRTIBNUSLLRTPJ-HNNXBMFYSA-N 0 3 280.456 3.502 20 30 CHEDHN C[C@@H]1CCCN(Cc2cccc(C#N)c2Cl)[C@H]1C ZINC001140811398 1131932120 /nfs/dbraw/zinc/93/21/20/1131932120.db2.gz RSXHWULNFOPHBV-NEPJUHHUSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@@H](CCc1c(F)cc(Cl)cc1F)NCC1(C#N)CC1 ZINC001172575855 1132274374 /nfs/dbraw/zinc/27/43/74/1132274374.db2.gz JUHKHZPKOYPSAE-JTQLQIEISA-N 0 3 298.764 3.833 20 30 CHEDHN C=CCCC(C)(C)CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001150961513 1132562963 /nfs/dbraw/zinc/56/29/63/1132562963.db2.gz WHLVBJKWXOJLCE-MRXNPFEDSA-N 0 3 294.483 3.606 20 30 CHEDHN C=CCCCCCCCCCN1CCN(C(C)=O)[C@@H](C)C1 ZINC001207900078 1133859310 /nfs/dbraw/zinc/85/93/10/1133859310.db2.gz SLTDHAQHMTXKEF-KRWDZBQOSA-N 0 3 294.483 3.846 20 30 CHEDHN Cc1cc(C#N)cc(Cl)c1O[C@H]1CCCN(C(C)C)C1 ZINC001226594898 1135716723 /nfs/dbraw/zinc/71/67/23/1135716723.db2.gz GEMABKQJTUCVPA-AWEZNQCLSA-N 0 3 292.810 3.772 20 30 CHEDHN N#Cc1ccc(CNC[C@@H]2CCCCC2(F)F)c(F)c1 ZINC000295084110 1125538686 /nfs/dbraw/zinc/53/86/86/1125538686.db2.gz IQASTCKKCPLMOL-ZDUSSCGKSA-N 0 3 282.309 3.612 20 30 CHEDHN CCCCCCCNCc1nccn1CC(F)(F)F ZINC000729677207 1125540908 /nfs/dbraw/zinc/54/09/08/1125540908.db2.gz HZGROXLEUXWKMM-UHFFFAOYSA-N 0 3 277.334 3.505 20 30 CHEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000121348616 1125558609 /nfs/dbraw/zinc/55/86/09/1125558609.db2.gz WBPHUIBRVFENIW-CYBMUJFWSA-N 0 3 298.361 3.986 20 30 CHEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000121348466 1125559144 /nfs/dbraw/zinc/55/91/44/1125559144.db2.gz WBPHUIBRVFENIW-ZDUSSCGKSA-N 0 3 298.361 3.986 20 30 CHEDHN C=C(C)CCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000509672848 1125572679 /nfs/dbraw/zinc/57/26/79/1125572679.db2.gz WWNKQNBUUWVBJU-UHFFFAOYSA-N 0 3 275.236 3.769 20 30 CHEDHN C[C@H](Cc1ccccc1Cl)NCc1ccc(C#N)o1 ZINC000135149290 1125579350 /nfs/dbraw/zinc/57/93/50/1125579350.db2.gz MJRHYBWEXQWPAM-LLVKDONJSA-N 0 3 274.751 3.525 20 30 CHEDHN C[C@@H](N(C)Cc1cn2ccccc2c1C#N)C(C)(C)C ZINC000532929069 1125589166 /nfs/dbraw/zinc/58/91/66/1125589166.db2.gz YSELKUBKVRYJAQ-CYBMUJFWSA-N 0 3 269.392 3.677 20 30 CHEDHN Cc1cccc(O[C@@H](C)CNCc2ccc(C#N)cc2F)c1 ZINC000533446399 1125608071 /nfs/dbraw/zinc/60/80/71/1125608071.db2.gz VJAZDCVWEHCUEZ-AWEZNQCLSA-N 0 3 298.361 3.563 20 30 CHEDHN CC[NH+](CC)Cc1ccccc1Nc1cc(C#N)ccc1[O-] ZINC001211994414 1125613748 /nfs/dbraw/zinc/61/37/48/1125613748.db2.gz YGFZULPXFONQKU-UHFFFAOYSA-N 0 3 295.386 3.849 20 30 CHEDHN C=CCN1CCC(c2nc3ccccc3s2)CC1 ZINC000072577135 1125634787 /nfs/dbraw/zinc/63/47/87/1125634787.db2.gz FVQLKPLCAPWTHJ-UHFFFAOYSA-N 0 3 258.390 3.662 20 30 CHEDHN C#CC[C@H]1CCN([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000886358359 1125673077 /nfs/dbraw/zinc/67/30/77/1125673077.db2.gz TYCVIIQRPDYOQT-CABCVRRESA-N 0 3 280.371 3.748 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000076738251 1125683745 /nfs/dbraw/zinc/68/37/45/1125683745.db2.gz NVBAVDANJCXLMB-ZDUSSCGKSA-N 0 3 292.448 3.634 20 30 CHEDHN C=CCC1(O)CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000886778794 1125716861 /nfs/dbraw/zinc/71/68/61/1125716861.db2.gz UOWKXYZXPDAROE-MRXNPFEDSA-N 0 3 291.822 3.730 20 30 CHEDHN C=CCC1(O)CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000886776462 1125717249 /nfs/dbraw/zinc/71/72/49/1125717249.db2.gz HFYOCHNFVDUNMS-UHFFFAOYSA-N 0 3 279.811 3.551 20 30 CHEDHN CC(C)(C#N)CCNC(C)(C)c1ccc(F)cc1F ZINC000886897905 1125724813 /nfs/dbraw/zinc/72/48/13/1125724813.db2.gz LQIPWYRRDJOMAR-UHFFFAOYSA-N 0 3 266.335 3.729 20 30 CHEDHN C=C(CNCc1c(C)nc2sc(C)cn21)c1ccccc1 ZINC000623448884 1125728932 /nfs/dbraw/zinc/72/89/32/1125728932.db2.gz QPBWHJCLWQHHOD-UHFFFAOYSA-N 0 3 297.427 3.816 20 30 CHEDHN C=CCC[C@H](N[C@H](C)c1cnn(C)c1)c1ccccc1 ZINC000090580668 1125744215 /nfs/dbraw/zinc/74/42/15/1125744215.db2.gz JMNKDFGYDNHDRI-PBHICJAKSA-N 0 3 269.392 3.778 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000122336161 1125786743 /nfs/dbraw/zinc/78/67/43/1125786743.db2.gz VJKVVFXQOWZOOV-GOSISDBHSA-N 0 3 280.346 3.865 20 30 CHEDHN CCCCC[C@@H](CCC)NC(=N)c1ccc(F)cn1 ZINC001258665187 1129477563 /nfs/dbraw/zinc/47/75/63/1129477563.db2.gz VYKBCXHEISIAPO-CYBMUJFWSA-N 0 3 265.376 3.675 20 30 CHEDHN C#C[C@H](CC)NCc1ccc(Br)cc1SC ZINC000381414470 1129838213 /nfs/dbraw/zinc/83/82/13/1129838213.db2.gz VQIPXVFYSQAZHD-GFCCVEGCSA-N 0 3 298.249 3.672 20 30 CHEDHN CCOc1ccc(C)c(CN(C)Cc2ccc(C#N)cc2)c1 ZINC001238717534 1131237007 /nfs/dbraw/zinc/23/70/07/1131237007.db2.gz RMPUKBLDJFNVJL-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN C=C[C@@](C)(CC)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000135164647 1126713531 /nfs/dbraw/zinc/71/35/31/1126713531.db2.gz RYAFTJQEAAGDCH-KRWDZBQOSA-N 0 3 274.408 3.597 20 30 CHEDHN C[C@@H](CC#N)NCC/C=C\c1ccc(Br)cc1 ZINC000600603632 1126722508 /nfs/dbraw/zinc/72/25/08/1126722508.db2.gz NUSPVKPKVWHHQU-QQHVMHFCSA-N 0 3 293.208 3.744 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000482151474 1126742686 /nfs/dbraw/zinc/74/26/86/1126742686.db2.gz SZGQINUDISNKHF-UHFFFAOYSA-N 0 3 299.370 3.741 20 30 CHEDHN C=CCC[C@@H](NCc1ccc(OC)nc1)c1ccccc1 ZINC000159898058 1126757765 /nfs/dbraw/zinc/75/77/65/1126757765.db2.gz HGRYMVFTBGEHTA-QGZVFWFLSA-N 0 3 282.387 3.887 20 30 CHEDHN Cc1ccc([C@@H]2CCCCN2Cc2cc(C#N)n(C)c2)cc1 ZINC000483260253 1126775645 /nfs/dbraw/zinc/77/56/45/1126775645.db2.gz PAIWWGFTVSFSGQ-IBGZPJMESA-N 0 3 293.414 3.932 20 30 CHEDHN C[C@@H](Cc1ccccc1Cl)N1CCC(C)(C#N)CC1 ZINC001170288737 1130480896 /nfs/dbraw/zinc/48/08/96/1130480896.db2.gz VDMABTBLAMYZSD-ZDUSSCGKSA-N 0 3 276.811 3.897 20 30 CHEDHN Fc1ccc(C[C@@H]2CCN(CC#Cc3ccccc3)C2)cc1 ZINC000483966294 1126806912 /nfs/dbraw/zinc/80/69/12/1126806912.db2.gz SWORQDAUZBJELS-IBGZPJMESA-N 0 3 293.385 3.742 20 30 CHEDHN C[C@]1(c2ccccc2)CCN(CC#Cc2ccccc2)C1 ZINC000483921262 1126806002 /nfs/dbraw/zinc/80/60/02/1126806002.db2.gz JGRNXCVTPMMLDG-FQEVSTJZSA-N 0 3 275.395 3.702 20 30 CHEDHN C(#Cc1ccccc1)CN1CCCC2(CCCC2)C1 ZINC000484024258 1126809929 /nfs/dbraw/zinc/80/99/29/1126809929.db2.gz SVAXYUVBCGHQEN-UHFFFAOYSA-N 0 3 253.389 3.694 20 30 CHEDHN C=CCN(CCOC)[C@@H](C)c1cccc(Br)c1 ZINC000484577063 1126829233 /nfs/dbraw/zinc/82/92/33/1126829233.db2.gz SAYDAEAORWLZFT-LBPRGKRZSA-N 0 3 298.224 3.645 20 30 CHEDHN C=CCC[C@H](CC)Oc1cccc2c1CCN(C)C2 ZINC001234422034 1130642680 /nfs/dbraw/zinc/64/26/80/1130642680.db2.gz GYWVSTCELDMWIA-HNNXBMFYSA-N 0 3 259.393 3.798 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)[C@@H](C)C2 ZINC000181147747 1126853146 /nfs/dbraw/zinc/85/31/46/1126853146.db2.gz VDXWSZYSEABNQY-YVEFUNNKSA-N 0 3 282.412 3.951 20 30 CHEDHN CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1[O-] ZINC000183326566 1126885152 /nfs/dbraw/zinc/88/51/52/1126885152.db2.gz SLAAHHAMJIGWPO-QGZVFWFLSA-N 0 3 296.370 3.535 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCCSC2)cc1 ZINC000183614215 1126890017 /nfs/dbraw/zinc/89/00/17/1126890017.db2.gz SHDMRZCZEMUPFX-AWEZNQCLSA-N 0 3 299.361 3.542 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCCOc3c(F)cccc32)C1 ZINC000185892191 1126904931 /nfs/dbraw/zinc/90/49/31/1126904931.db2.gz RCRSTSIKEGTWNP-WOSRLPQWSA-N 0 3 288.366 3.711 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCCOc3c(F)cccc32)C1 ZINC000185892231 1126905162 /nfs/dbraw/zinc/90/51/62/1126905162.db2.gz RCRSTSIKEGTWNP-HEHGZKQESA-N 0 3 288.366 3.711 20 30 CHEDHN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191226827 1126949586 /nfs/dbraw/zinc/94/95/86/1126949586.db2.gz KNPYTXVJJYFLHF-LBPRGKRZSA-N 0 3 287.794 3.743 20 30 CHEDHN Cn1cc(CNC2(c3ccc(Cl)cc3)CCC2)cc1C#N ZINC000190911077 1126945359 /nfs/dbraw/zinc/94/53/59/1126945359.db2.gz ZLTAIAHPBCTESU-UHFFFAOYSA-N 0 3 299.805 3.719 20 30 CHEDHN CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000266676874 1126986626 /nfs/dbraw/zinc/98/66/26/1126986626.db2.gz ZYEFEGKQRYDKGQ-CQSZACIVSA-N 0 3 280.371 3.808 20 30 CHEDHN N#CCOc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000267093683 1126993481 /nfs/dbraw/zinc/99/34/81/1126993481.db2.gz XTLQXNPDTDELJD-GOSISDBHSA-N 0 3 296.345 3.505 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccccc3F)C2)s1 ZINC000271203623 1127073552 /nfs/dbraw/zinc/07/35/52/1127073552.db2.gz VGDGQDPMPQYFFQ-LBPRGKRZSA-N 0 3 286.375 3.748 20 30 CHEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000912352604 1127096409 /nfs/dbraw/zinc/09/64/09/1127096409.db2.gz NZBFSEPBRPTESI-WFASDCNBSA-N 0 3 294.826 3.543 20 30 CHEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000912345528 1127096788 /nfs/dbraw/zinc/09/67/88/1127096788.db2.gz WFWCPFLYOCPACR-SWLSCSKDSA-N 0 3 294.826 3.543 20 30 CHEDHN C=C(CNCC1=Cc2ccccc2OC1)c1ccccc1 ZINC000588178575 1127179967 /nfs/dbraw/zinc/17/99/67/1127179967.db2.gz ADYXDRGOSKPDJO-UHFFFAOYSA-N 0 3 277.367 3.765 20 30 CHEDHN C[C@@H](CCC#N)N1CCC(Oc2ccccc2Cl)CC1 ZINC000351490186 1127189688 /nfs/dbraw/zinc/18/96/88/1127189688.db2.gz DYUWTLJIGLXIQX-ZDUSSCGKSA-N 0 3 292.810 3.875 20 30 CHEDHN C[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@@H]1C ZINC001237757184 1131139800 /nfs/dbraw/zinc/13/98/00/1131139800.db2.gz NYTYOGUEHTWGMF-VXGBXAGGSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@H](NCC1(C#N)CCCC1)[C@@H](C)c1ccccc1 ZINC000589166724 1127213479 /nfs/dbraw/zinc/21/34/79/1127213479.db2.gz QGFWAMBZZUXZIZ-CABCVRRESA-N 0 3 256.393 3.852 20 30 CHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccsc1 ZINC000589344251 1127218738 /nfs/dbraw/zinc/21/87/38/1127218738.db2.gz VQDOHOFGSZQJOD-ZBEGNZNMSA-N 0 3 268.385 3.958 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000589502506 1127223480 /nfs/dbraw/zinc/22/34/80/1127223480.db2.gz YEJRJAWMHRGVPT-PHIMTYICSA-N 0 3 282.309 3.665 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccco1 ZINC000285699090 1127240710 /nfs/dbraw/zinc/24/07/10/1127240710.db2.gz OYUVWLYSKDFCQV-CVEARBPZSA-N 0 3 289.350 3.749 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)c1ccc(C)o1)c1ccco1 ZINC000285898005 1127246196 /nfs/dbraw/zinc/24/61/96/1127246196.db2.gz CPJBAFVZZJFHFD-UONOGXRCSA-N 0 3 275.348 3.512 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccco1 ZINC000285889398 1127246425 /nfs/dbraw/zinc/24/64/25/1127246425.db2.gz ZXYSIWKXHFRQBZ-CABCVRRESA-N 0 3 288.391 3.772 20 30 CHEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000352892968 1127249074 /nfs/dbraw/zinc/24/90/74/1127249074.db2.gz LTYRZGFJSQTNGX-HUUCEWRRSA-N 0 3 292.423 3.803 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000590201718 1127251700 /nfs/dbraw/zinc/25/17/00/1127251700.db2.gz LTHJKZYZPUXDOX-OAHLLOKOSA-N 0 3 292.810 3.733 20 30 CHEDHN C=C(CC)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353017461 1127257594 /nfs/dbraw/zinc/25/75/94/1127257594.db2.gz CKGQZUKQNYNHEF-UHFFFAOYSA-N 0 3 288.366 3.507 20 30 CHEDHN C=CCSCCN[C@H](C)c1cc(Cl)ccc1OC ZINC000543754937 1127273270 /nfs/dbraw/zinc/27/32/70/1127273270.db2.gz UHFCLNXXWASWIG-LLVKDONJSA-N 0 3 285.840 3.918 20 30 CHEDHN C[C@H](NCc1ccnc(C#N)c1)c1cccc(C2CC2)c1 ZINC000590745411 1127270365 /nfs/dbraw/zinc/27/03/65/1127270365.db2.gz FMLMBGSOAJQPQS-ZDUSSCGKSA-N 0 3 277.371 3.681 20 30 CHEDHN C=C(Br)CN1CCC[C@@H]1C1CCCC1 ZINC000057754978 1127277608 /nfs/dbraw/zinc/27/76/08/1127277608.db2.gz FAGKPWLNQKSYTG-GFCCVEGCSA-N 0 3 258.203 3.550 20 30 CHEDHN C=Cn1cc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353912179 1127277798 /nfs/dbraw/zinc/27/77/98/1127277798.db2.gz DTWIJAXBEMTHGO-QGZVFWFLSA-N 0 3 280.375 3.508 20 30 CHEDHN CC[C@H]1CCCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238193148 1131179065 /nfs/dbraw/zinc/17/90/65/1131179065.db2.gz YPGLAZNKEIXVAN-AWEZNQCLSA-N 0 3 262.784 3.976 20 30 CHEDHN N#Cc1cnccc1CN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000592108332 1127333693 /nfs/dbraw/zinc/33/36/93/1127333693.db2.gz VWDHMYSLFDPWRE-MOPGFXCFSA-N 0 3 291.398 3.769 20 30 CHEDHN Cc1ccccc1C1(NCc2ccc(C#N)cc2C)CC1 ZINC000592139900 1127338791 /nfs/dbraw/zinc/33/87/91/1127338791.db2.gz OXLUHWIPUVXYBW-UHFFFAOYSA-N 0 3 276.383 3.954 20 30 CHEDHN N#CCc1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000592391679 1127347034 /nfs/dbraw/zinc/34/70/34/1127347034.db2.gz YVBZLZQKJVAAEZ-GOSISDBHSA-N 0 3 298.336 3.808 20 30 CHEDHN C[C@@H]1CN(CCCC#N)CCc2ccc(Cl)cc21 ZINC000593065871 1127368446 /nfs/dbraw/zinc/36/84/46/1127368446.db2.gz IPXVQVCTGXCAHA-GFCCVEGCSA-N 0 3 262.784 3.605 20 30 CHEDHN CC(C)O[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000593053921 1127370286 /nfs/dbraw/zinc/37/02/86/1127370286.db2.gz OIXFSZSBHQGRMJ-RHSMWYFYSA-N 0 3 272.392 3.509 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CC2(F)F)CC1 ZINC000593073647 1127375032 /nfs/dbraw/zinc/37/50/32/1127375032.db2.gz VJPWYLQPFGOPKF-GFCCVEGCSA-N 0 3 276.330 3.740 20 30 CHEDHN COc1ccc(CC[C@@H](C)NCC2(C#N)CCCC2)cc1 ZINC000593653817 1127392650 /nfs/dbraw/zinc/39/26/50/1127392650.db2.gz ZWOSHZWHAOOKMU-OAHLLOKOSA-N 0 3 286.419 3.690 20 30 CHEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1F ZINC000593666827 1127393734 /nfs/dbraw/zinc/39/37/34/1127393734.db2.gz WGFQOKCYORUVSG-IOASZLSFSA-N 0 3 260.356 3.949 20 30 CHEDHN N#CC1(CNCCc2cccc(Cl)c2)CCCC1 ZINC000593654597 1127394021 /nfs/dbraw/zinc/39/40/21/1127394021.db2.gz JYVLUEGZGOTCSF-UHFFFAOYSA-N 0 3 262.784 3.556 20 30 CHEDHN CC[C@H](CC#N)NCCCc1ccc(Cl)cc1 ZINC000594009368 1127407352 /nfs/dbraw/zinc/40/73/52/1127407352.db2.gz FYNAXKFIGXTNSN-CQSZACIVSA-N 0 3 250.773 3.554 20 30 CHEDHN CCCCCCCCN[C@H](C)c1nnc2ccccn21 ZINC000059141593 1127416945 /nfs/dbraw/zinc/41/69/45/1127416945.db2.gz WJFYGWWDTFIDRV-CQSZACIVSA-N 0 3 274.412 3.740 20 30 CHEDHN CC(C)(C#N)c1ccc(CNCc2cccc(F)c2)cc1 ZINC000594494898 1127418100 /nfs/dbraw/zinc/41/81/00/1127418100.db2.gz KJBRLPJQFMFPDK-UHFFFAOYSA-N 0 3 282.362 3.917 20 30 CHEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccncc1 ZINC000594516788 1127420901 /nfs/dbraw/zinc/42/09/01/1127420901.db2.gz FTHXCBLGGNHFNK-AWEZNQCLSA-N 0 3 277.371 3.683 20 30 CHEDHN Cc1cncc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594520080 1127420971 /nfs/dbraw/zinc/42/09/71/1127420971.db2.gz YNWPQAHYDPDQJY-OAHLLOKOSA-N 0 3 291.398 3.992 20 30 CHEDHN Cc1cncc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594520079 1127421015 /nfs/dbraw/zinc/42/10/15/1127421015.db2.gz YNWPQAHYDPDQJY-HNNXBMFYSA-N 0 3 291.398 3.992 20 30 CHEDHN N#CC1(c2ccc(CN[C@@H]3CCCC[C@H]3F)cc2)CC1 ZINC000594945946 1127439470 /nfs/dbraw/zinc/43/94/70/1127439470.db2.gz JMGGJDAZABVAIB-HZPDHXFCSA-N 0 3 272.367 3.612 20 30 CHEDHN C=CCCC1(CNCc2nc(C#N)cs2)CCCC1 ZINC000594956635 1127440024 /nfs/dbraw/zinc/44/00/24/1127440024.db2.gz KJCNRXHAKQZJJU-UHFFFAOYSA-N 0 3 275.421 3.631 20 30 CHEDHN CC(C)(C)c1cnc(CNCCc2ccc(C#N)cc2)s1 ZINC000594955652 1127440055 /nfs/dbraw/zinc/44/00/55/1127440055.db2.gz RCAJXGWURSVZND-UHFFFAOYSA-N 0 3 299.443 3.645 20 30 CHEDHN C=CCCSCCN[C@H](C)c1ncccc1CC ZINC000595057797 1127447121 /nfs/dbraw/zinc/44/71/21/1127447121.db2.gz FAVBISMJGVOFDT-CYBMUJFWSA-N 0 3 264.438 3.604 20 30 CHEDHN CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1F ZINC000595068914 1127448249 /nfs/dbraw/zinc/44/82/49/1127448249.db2.gz WCRYQCSKTBYWRH-IOASZLSFSA-N 0 3 260.356 3.805 20 30 CHEDHN CN(CCc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000595290244 1127457229 /nfs/dbraw/zinc/45/72/29/1127457229.db2.gz XMTOUZXVXIWGQO-UHFFFAOYSA-N 0 3 290.819 3.948 20 30 CHEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000595093637 1127454986 /nfs/dbraw/zinc/45/49/86/1127454986.db2.gz DQLUQEJYEQYLRD-PXAZEXFGSA-N 0 3 290.382 3.553 20 30 CHEDHN CC[C@@H](CC(F)F)CN(CCC#N)CCC(C)C ZINC000595346717 1127459154 /nfs/dbraw/zinc/45/91/54/1127459154.db2.gz KSYGKOHJDPVMHD-ZDUSSCGKSA-N 0 3 260.372 3.930 20 30 CHEDHN N#CC1(CCN2CCC(c3ccon3)CC2)CCCCC1 ZINC000595829550 1127479029 /nfs/dbraw/zinc/47/90/29/1127479029.db2.gz VYZGEIDAMGREFA-UHFFFAOYSA-N 0 3 287.407 3.718 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2cccc(C3CC3)c2)C1 ZINC000597177545 1127532233 /nfs/dbraw/zinc/53/22/33/1127532233.db2.gz OUPCTHQZNBPQPG-CQSZACIVSA-N 0 3 254.377 3.690 20 30 CHEDHN N#Cc1csc(CN2CCC(C3CCC3)CC2)c1 ZINC000597186524 1127533590 /nfs/dbraw/zinc/53/35/90/1127533590.db2.gz ILMXFLPFQOQNBN-UHFFFAOYSA-N 0 3 260.406 3.632 20 30 CHEDHN CC(C)[C@H]1C[C@@H](NCC2(C#N)CCCCC2)CS1 ZINC000597226709 1127536738 /nfs/dbraw/zinc/53/67/38/1127536738.db2.gz WQBFGTFAJBRDOA-ZIAGYGMSSA-N 0 3 266.454 3.580 20 30 CHEDHN CC(C)[C@@H](CN1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597231753 1127535489 /nfs/dbraw/zinc/53/54/89/1127535489.db2.gz ONVGGLHKZJLKAG-SJORKVTESA-N 0 3 256.393 3.662 20 30 CHEDHN N#Cc1c(F)cccc1CNC1CCC(C(F)F)CC1 ZINC000602022148 1127557491 /nfs/dbraw/zinc/55/74/91/1127557491.db2.gz XNUXONFUUUCAEA-UHFFFAOYSA-N 0 3 282.309 3.611 20 30 CHEDHN CCC(CC)CN(CCC#N)CCCC1CCOCC1 ZINC000361464327 1127564600 /nfs/dbraw/zinc/56/46/00/1127564600.db2.gz IRYLNEVPHBUNTF-UHFFFAOYSA-N 0 3 280.456 3.845 20 30 CHEDHN CCN(Cc1cccc(F)c1N)[C@@H](C)c1ccc(C#N)cc1 ZINC000602443746 1127579712 /nfs/dbraw/zinc/57/97/12/1127579712.db2.gz KWESWSQVVHKJSG-ZDUSSCGKSA-N 0 3 297.377 3.863 20 30 CHEDHN C[C@H](CCC#N)CN(Cc1ccc(F)cc1F)C1CC1 ZINC000602442097 1127580376 /nfs/dbraw/zinc/58/03/76/1127580376.db2.gz UREWNSBYMDNCDU-GFCCVEGCSA-N 0 3 278.346 3.869 20 30 CHEDHN C[C@@H](CCC#N)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000602681292 1127606424 /nfs/dbraw/zinc/60/64/24/1127606424.db2.gz NLZOQQKEAOFXQO-ZFWWWQNUSA-N 0 3 258.365 3.746 20 30 CHEDHN N#CCC1(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000602824057 1127616340 /nfs/dbraw/zinc/61/63/40/1127616340.db2.gz LRBRSGBFSHPGMS-GFCCVEGCSA-N 0 3 286.341 3.735 20 30 CHEDHN CN(CC/C=C/c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602982777 1127624228 /nfs/dbraw/zinc/62/42/28/1127624228.db2.gz YAKMUALTQWVIJO-AVTSYZAUSA-N 0 3 254.377 3.714 20 30 CHEDHN C[C@@H](NCc1cccc2c1CCC2)c1cccc(C#N)c1 ZINC000593601996 1127634008 /nfs/dbraw/zinc/63/40/08/1127634008.db2.gz NFMWPVAJCIELGS-CQSZACIVSA-N 0 3 276.383 3.898 20 30 CHEDHN C=C(C)[C@H](NCCc1cscn1)c1ccc(F)c(F)c1 ZINC000295708837 1127651455 /nfs/dbraw/zinc/65/14/55/1127651455.db2.gz KARQQUGACFVZSE-HNNXBMFYSA-N 0 3 294.370 3.871 20 30 CHEDHN C=CCOc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000603633480 1127663342 /nfs/dbraw/zinc/66/33/42/1127663342.db2.gz OZHCDMYRNWYEOU-OAHLLOKOSA-N 0 3 292.382 3.974 20 30 CHEDHN Cc1ccc(CN(C)Cc2cccc(N(C)C)c2)cc1C#N ZINC000599332903 1127668114 /nfs/dbraw/zinc/66/81/14/1127668114.db2.gz XIMCQLCISTVUKJ-UHFFFAOYSA-N 0 3 293.414 3.565 20 30 CHEDHN Cc1ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)cc1C#N ZINC000599364542 1127670140 /nfs/dbraw/zinc/67/01/40/1127670140.db2.gz LQUKWBVJSOZHLB-AUUYWEPGSA-N 0 3 291.398 3.845 20 30 CHEDHN CCN(CCOc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000603846132 1127676184 /nfs/dbraw/zinc/67/61/84/1127676184.db2.gz TVSFOJSDEKRNCH-UHFFFAOYSA-N 0 3 298.361 3.598 20 30 CHEDHN CCCCCCC/C=C/CN1CCC[C@@]12CCN(C)C2=O ZINC001275841930 1127678659 /nfs/dbraw/zinc/67/86/59/1127678659.db2.gz FUEQGOVOQYUGJH-BBVFFXRHSA-N 0 3 292.467 3.600 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](CCC)c2cccnc2)cc1 ZINC000296628743 1127679296 /nfs/dbraw/zinc/67/92/96/1127679296.db2.gz XHDJDJZYTCQVJB-IBGZPJMESA-N 0 3 294.398 3.725 20 30 CHEDHN C[C@H](c1ccccc1)N1CCc2c(CC#N)cccc2C1 ZINC000599685221 1127687963 /nfs/dbraw/zinc/68/79/63/1127687963.db2.gz ALKKTKMYLRPVBD-OAHLLOKOSA-N 0 3 276.383 3.872 20 30 CHEDHN C=CCCCN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000605149963 1127729897 /nfs/dbraw/zinc/72/98/97/1127729897.db2.gz WPLYCHJPIJYORO-UHFFFAOYSA-N 0 3 296.817 3.563 20 30 CHEDHN CC[C@H](C)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000409445848 1127769132 /nfs/dbraw/zinc/76/91/32/1127769132.db2.gz CAECVTFUBCFEIP-UAGQMJEPSA-N 0 3 256.393 3.804 20 30 CHEDHN C=CCCN(CC)Cc1cc(Br)ccc1F ZINC000606897321 1127781650 /nfs/dbraw/zinc/78/16/50/1127781650.db2.gz NIVRHBIEYJGRLT-UHFFFAOYSA-N 0 3 286.188 3.986 20 30 CHEDHN C=CCO[C@H]1CCN(Cc2ccccc2SCC)C1 ZINC001168423255 1127813507 /nfs/dbraw/zinc/81/35/07/1127813507.db2.gz GCZGCQGPHKRZIP-HNNXBMFYSA-N 0 3 277.433 3.576 20 30 CHEDHN CC#CCN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000607728010 1127826200 /nfs/dbraw/zinc/82/62/00/1127826200.db2.gz RDSUVAXICAVRCK-LLVKDONJSA-N 0 3 255.283 3.722 20 30 CHEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1cccc(O)c1 ZINC000411458313 1127861853 /nfs/dbraw/zinc/86/18/53/1127861853.db2.gz QBFGYGIPBTWGBY-CQSZACIVSA-N 0 3 272.392 3.907 20 30 CHEDHN N#Cc1ccc(CN(CCOCC2CCCC2)C2CC2)cc1 ZINC001168424686 1127864326 /nfs/dbraw/zinc/86/43/26/1127864326.db2.gz XTQSWOZGXUSYAH-UHFFFAOYSA-N 0 3 298.430 3.729 20 30 CHEDHN CO[C@@](C)([C@@H](C)NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000411968423 1127883450 /nfs/dbraw/zinc/88/34/50/1127883450.db2.gz JPPIMEQMQFCFFD-BZNIZROVSA-N 0 3 292.810 3.505 20 30 CHEDHN N#Cc1cncc(CN2CCC[C@H](c3ccccc3)CC2)c1 ZINC000929488663 1127910875 /nfs/dbraw/zinc/91/08/75/1127910875.db2.gz CZUVQEPSKUMLMK-IBGZPJMESA-N 0 3 291.398 3.723 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OCC2CC2)CC1 ZINC000442680362 1127907621 /nfs/dbraw/zinc/90/76/21/1127907621.db2.gz QSNMYXHFOGKILK-AWEZNQCLSA-N 0 3 284.403 3.510 20 30 CHEDHN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)CC1(C#N)CC1 ZINC000539453385 1127923572 /nfs/dbraw/zinc/92/35/72/1127923572.db2.gz LVPPDBHHOOFIAJ-MRXNPFEDSA-N 0 3 274.383 3.628 20 30 CHEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168436036 1127989210 /nfs/dbraw/zinc/98/92/10/1127989210.db2.gz BTSWRYDUPQGCHN-GOSISDBHSA-N 0 3 286.394 3.841 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCOc2ccc(F)cc21 ZINC000925382622 1128031197 /nfs/dbraw/zinc/03/11/97/1128031197.db2.gz LUZUKKCJRQGAIS-RISCZKNCSA-N 0 3 276.355 3.567 20 30 CHEDHN C[C@H]1CCC[C@H](C)N(Cc2cc(F)ccc2C#N)C1 ZINC000469098333 1128035048 /nfs/dbraw/zinc/03/50/48/1128035048.db2.gz XAAZAOVIUCMFDV-STQMWFEESA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCN(C)Cc1ccc(Br)c(Cl)c1 ZINC000469798531 1128054929 /nfs/dbraw/zinc/05/49/29/1128054929.db2.gz SUVPYTZLUVIXIH-UHFFFAOYSA-N 0 3 274.589 3.720 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000542279794 1128060798 /nfs/dbraw/zinc/06/07/98/1128060798.db2.gz MPXSUBUTWSXCIL-BEFAXECRSA-N 0 3 276.383 3.946 20 30 CHEDHN CCOc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271969406 1128091199 /nfs/dbraw/zinc/09/11/99/1128091199.db2.gz UFXMCOURDWAAAY-CYBMUJFWSA-N 0 3 298.361 3.947 20 30 CHEDHN COc1ccc(OC)c([C@@H](C)N[C@@H](C)CC(C)(C)C#N)c1 ZINC000924572123 1128105164 /nfs/dbraw/zinc/10/51/64/1128105164.db2.gz QQYVKQMDUPLKMC-QWHCGFSZSA-N 0 3 290.407 3.683 20 30 CHEDHN COc1ccc(OC)c([C@H](C)N[C@@H](C)CC(C)(C)C#N)c1 ZINC000924572125 1128105544 /nfs/dbraw/zinc/10/55/44/1128105544.db2.gz QQYVKQMDUPLKMC-STQMWFEESA-N 0 3 290.407 3.683 20 30 CHEDHN COc1ccc(F)cc1[C@H](C)N[C@H](C)CC(C)(C)C#N ZINC000924705809 1128110567 /nfs/dbraw/zinc/11/05/67/1128110567.db2.gz MNQRZDCDZDHDJV-NEPJUHHUSA-N 0 3 278.371 3.813 20 30 CHEDHN C=CCOc1ccccc1CN[C@H](C)CC(C)(C)C#N ZINC000925025975 1128119339 /nfs/dbraw/zinc/11/93/39/1128119339.db2.gz BVRJSBCNKCIGLG-CQSZACIVSA-N 0 3 272.392 3.669 20 30 CHEDHN N#CCCN[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000443071308 1128127985 /nfs/dbraw/zinc/12/79/85/1128127985.db2.gz PVDGKMSSKPNYBP-JSGCOSHPSA-N 0 3 282.309 3.845 20 30 CHEDHN C=CCC(CC=C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234238267 1128128365 /nfs/dbraw/zinc/12/83/65/1128128365.db2.gz JVIZTKLBSJPWED-UHFFFAOYSA-N 0 3 293.382 3.796 20 30 CHEDHN C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc([O-])cc(F)c1 ZINC000926427073 1128171495 /nfs/dbraw/zinc/17/14/95/1128171495.db2.gz VBYBRKXMHHQKBS-NSHDSACASA-N 0 3 264.344 3.512 20 30 CHEDHN N#CC[C@@H]1CC[C@H](N[C@@H]2COCc3cccc(Cl)c32)C1 ZINC000926513290 1128177878 /nfs/dbraw/zinc/17/78/78/1128177878.db2.gz LVJFGHJXANHUCS-CORIIIEPSA-N 0 3 290.794 3.583 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](c1ccccn1)C1CCC1 ZINC000926753396 1128192251 /nfs/dbraw/zinc/19/22/51/1128192251.db2.gz SPYQKFUAUVBTBW-XJKSGUPXSA-N 0 3 271.408 3.841 20 30 CHEDHN CC[C@@H](NCc1ccc(C)c(C#N)c1)c1ccc(C#N)cc1 ZINC000926966611 1128206990 /nfs/dbraw/zinc/20/69/90/1128206990.db2.gz LUAPHGPKTQUKLW-LJQANCHMSA-N 0 3 289.382 3.979 20 30 CHEDHN CCc1cc(CN2CCC(OC3CCC3)CC2)ccc1C#N ZINC001238765607 1131242871 /nfs/dbraw/zinc/24/28/71/1131242871.db2.gz FWACWAUVKJRFDO-UHFFFAOYSA-N 0 3 298.430 3.654 20 30 CHEDHN CC(C)SCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000915098177 1128282232 /nfs/dbraw/zinc/28/22/32/1128282232.db2.gz JSDWEQHZDMJZCC-JTQLQIEISA-N 0 3 290.413 3.614 20 30 CHEDHN CC(C)(C)CN(CCC#N)CC1CCC(C#N)CC1 ZINC000929691738 1128282424 /nfs/dbraw/zinc/28/24/24/1128282424.db2.gz KWRIKJPWPVHLPD-UHFFFAOYSA-N 0 3 261.413 3.578 20 30 CHEDHN Cc1ccc(C)c([C@@H]2CCCN2Cc2cncc(C#N)c2)c1 ZINC000929835757 1128290069 /nfs/dbraw/zinc/29/00/69/1128290069.db2.gz STXGCFFUWSIEAZ-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN N#Cc1cccc(CNCc2cccc(-c3cccnc3)c2)c1 ZINC000130587316 1128290706 /nfs/dbraw/zinc/29/07/06/1128290706.db2.gz NHRXYRMEOLUOJM-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN C[C@@H](Cc1cccc(F)c1)N(CCC#N)C1CCCC1 ZINC001168489267 1128290829 /nfs/dbraw/zinc/29/08/29/1128290829.db2.gz CLOILBBPMUKOMZ-AWEZNQCLSA-N 0 3 274.383 3.915 20 30 CHEDHN N#Cc1cncc(CN[C@H](c2ccccc2)C2CCC2)c1 ZINC000929964830 1128295764 /nfs/dbraw/zinc/29/57/64/1128295764.db2.gz MADGYTPAXTUAOF-GOSISDBHSA-N 0 3 277.371 3.584 20 30 CHEDHN C#CC[C@@H](NCc1cccc(OC)c1C)c1ccccc1 ZINC000930219808 1128308448 /nfs/dbraw/zinc/30/84/48/1128308448.db2.gz MMVGIHHESFXKJW-GOSISDBHSA-N 0 3 279.383 3.858 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN(C)Cc1cccc(F)c1 ZINC001205155958 1128341471 /nfs/dbraw/zinc/34/14/71/1128341471.db2.gz INZILOITACLOTP-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN C=CCC[C@@H](CCC)NCc1noc2c1CCCC2 ZINC000561985610 1128368274 /nfs/dbraw/zinc/36/82/74/1128368274.db2.gz GWGKAYHIBNALCN-CYBMUJFWSA-N 0 3 262.397 3.778 20 30 CHEDHN CC[C@@H](NCCC(C)(C)C#N)c1cc(F)ccc1OC ZINC000932469372 1128411689 /nfs/dbraw/zinc/41/16/89/1128411689.db2.gz PWBDUIDMHQZWKB-CQSZACIVSA-N 0 3 278.371 3.815 20 30 CHEDHN CC[C@H](NCC1(CC#N)CC1)c1cc(F)ccc1OC ZINC000932468887 1128411733 /nfs/dbraw/zinc/41/17/33/1128411733.db2.gz LVCUVMYEXPNXNR-AWEZNQCLSA-N 0 3 276.355 3.569 20 30 CHEDHN C=C[C@H](CC)CC(=O)Nc1ccc(C)cc1CN(C)C ZINC000932806214 1128422098 /nfs/dbraw/zinc/42/20/98/1128422098.db2.gz QEAWRMKOKAHOTH-CQSZACIVSA-N 0 3 274.408 3.597 20 30 CHEDHN C=CCN(C)Cc1cccc(SC(F)(F)F)c1 ZINC000778165135 1128433751 /nfs/dbraw/zinc/43/37/51/1128433751.db2.gz LHUZJMFEFYMTPH-UHFFFAOYSA-N 0 3 261.312 3.916 20 30 CHEDHN COc1cccc([C@@H](C)NCc2ccc(C#N)c(C)c2)c1 ZINC000488147679 1128435059 /nfs/dbraw/zinc/43/50/59/1128435059.db2.gz JVKQWTABRFRYLS-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN CN(CCCC(C)(C)C#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934416765 1128459648 /nfs/dbraw/zinc/45/96/48/1128459648.db2.gz NYWXIQAAJBOFEK-UHFFFAOYSA-N 0 3 296.418 3.838 20 30 CHEDHN COc1cc(C)cc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000564007405 1128489625 /nfs/dbraw/zinc/48/96/25/1128489625.db2.gz CYIPYJGWAXLOAW-IBGZPJMESA-N 0 3 292.382 3.652 20 30 CHEDHN N#Cc1cncc(CN[C@H](c2ccccc2)C2CCCC2)c1 ZINC000929973252 1128493901 /nfs/dbraw/zinc/49/39/01/1128493901.db2.gz ISYGJMJZZDJFDR-LJQANCHMSA-N 0 3 291.398 3.974 20 30 CHEDHN COc1cccc2c1CCC[C@H]2NCc1ccc(C#N)s1 ZINC000566083066 1128538423 /nfs/dbraw/zinc/53/84/23/1128538423.db2.gz PVHXCEGGHBOJKO-MRXNPFEDSA-N 0 3 298.411 3.796 20 30 CHEDHN CCOC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000568656806 1128590049 /nfs/dbraw/zinc/59/00/49/1128590049.db2.gz ORLNVFZEZOIKFK-ZDUSSCGKSA-N 0 3 290.382 3.697 20 30 CHEDHN C=CCC[C@H](NC[C@H]1COc2ccccc2O1)c1ccco1 ZINC000556865778 1128630785 /nfs/dbraw/zinc/63/07/85/1128630785.db2.gz IIQMIRIQZCLREB-GJZGRUSLSA-N 0 3 299.370 3.717 20 30 CHEDHN CC#CCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000155190136 1128666226 /nfs/dbraw/zinc/66/62/26/1128666226.db2.gz VLAFHTQWJIYJQS-UHFFFAOYSA-N 0 3 289.806 3.648 20 30 CHEDHN CCCCCCC[C@@H](C)NCc1ncccc1OC ZINC001258038753 1128674405 /nfs/dbraw/zinc/67/44/05/1128674405.db2.gz DDQFJMOTMWQMLS-CQSZACIVSA-N 0 3 264.413 3.929 20 30 CHEDHN CCCCCCC[C@H](C)NCc1ncccc1OC ZINC001258038752 1128674653 /nfs/dbraw/zinc/67/46/53/1128674653.db2.gz DDQFJMOTMWQMLS-AWEZNQCLSA-N 0 3 264.413 3.929 20 30 CHEDHN C=CC1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000600683061 1128677535 /nfs/dbraw/zinc/67/75/35/1128677535.db2.gz HYEBFYDARIYDQK-LLVKDONJSA-N 0 3 251.320 3.924 20 30 CHEDHN C#CCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000920415776 1128680584 /nfs/dbraw/zinc/68/05/84/1128680584.db2.gz LIAFBHSIGZAXRN-MRXNPFEDSA-N 0 3 279.383 3.979 20 30 CHEDHN C#CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000920415776 1128680587 /nfs/dbraw/zinc/68/05/87/1128680587.db2.gz LIAFBHSIGZAXRN-MRXNPFEDSA-N 0 3 279.383 3.979 20 30 CHEDHN CCCCCCC[C@@H](C)NCc1cc2n(n1)CCCO2 ZINC001258043204 1128685337 /nfs/dbraw/zinc/68/53/37/1128685337.db2.gz LVTGKUGYDWIYJG-CQSZACIVSA-N 0 3 279.428 3.504 20 30 CHEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000577924387 1128699011 /nfs/dbraw/zinc/69/90/11/1128699011.db2.gz UFQVZOULODAFTG-BETUJISGSA-N 0 3 294.320 3.809 20 30 CHEDHN N#Cc1ccc(CN2CCCc3sccc3C2)cc1 ZINC000609323419 1128701333 /nfs/dbraw/zinc/70/13/33/1128701333.db2.gz IXJGXNJLWLFTNP-UHFFFAOYSA-N 0 3 268.385 3.568 20 30 CHEDHN COc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000601265403 1128707625 /nfs/dbraw/zinc/70/76/25/1128707625.db2.gz PQTREWFECZXWNE-ORAYPTAESA-N 0 3 292.382 3.905 20 30 CHEDHN CC[C@H](NCC(C)(C)CC#N)c1cccc(OC)c1OC ZINC000601280579 1128708227 /nfs/dbraw/zinc/70/82/27/1128708227.db2.gz GKTVDZHTMUHBDJ-AWEZNQCLSA-N 0 3 290.407 3.684 20 30 CHEDHN N#Cc1cc(CN[C@@H]2CCCc3ccccc32)cs1 ZINC000921473364 1128710575 /nfs/dbraw/zinc/71/05/75/1128710575.db2.gz MRHYUGWYZMPBJS-MRXNPFEDSA-N 0 3 268.385 3.787 20 30 CHEDHN C=CCN(CCCCC)Cc1cccc([N+](=O)[O-])c1 ZINC000609798691 1128726357 /nfs/dbraw/zinc/72/63/57/1128726357.db2.gz ZFWXGSRURZFPTA-UHFFFAOYSA-N 0 3 262.353 3.773 20 30 CHEDHN N#Cc1ccc(CN2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800713 1128726372 /nfs/dbraw/zinc/72/63/72/1128726372.db2.gz QQPFEFHCISMKCG-GOSISDBHSA-N 0 3 294.423 3.848 20 30 CHEDHN Cc1cc(CN2CCC(S)CC2)cc(C)c1Cl ZINC001238098310 1117776655 /nfs/dbraw/zinc/77/66/55/1117776655.db2.gz XPLLMVCATSNJSV-UHFFFAOYSA-N 0 3 269.841 3.851 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000579172857 1128739939 /nfs/dbraw/zinc/73/99/39/1128739939.db2.gz UPLQORIBBZWDGD-QWRGUYRKSA-N 0 3 282.309 3.807 20 30 CHEDHN CC[C@@H]1CCCCCN1Cc1ccc(F)cc1C#N ZINC000610080143 1128737954 /nfs/dbraw/zinc/73/79/54/1128737954.db2.gz DSIMJAFRGHIZDF-MRXNPFEDSA-N 0 3 260.356 3.852 20 30 CHEDHN N#Cc1cccc(CN(C2CC2)C2CCCC2)c1F ZINC000535822927 1117881409 /nfs/dbraw/zinc/88/14/09/1117881409.db2.gz YQEGSOXYSGCQPZ-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NC1(c3ccccc3)CC1)CC2 ZINC000336396243 1117894663 /nfs/dbraw/zinc/89/46/63/1117894663.db2.gz CVNXYMGVACVDEU-GOSISDBHSA-N 0 3 274.367 3.824 20 30 CHEDHN C=CCOc1c(Cl)cc(CNC/C=C/C)cc1OC ZINC000623739650 1117908252 /nfs/dbraw/zinc/90/82/52/1117908252.db2.gz BYXMHLIPKFDZEV-GQCTYLIASA-N 0 3 281.783 3.579 20 30 CHEDHN CN1CC=C(Nc2ccc(C#C[Si](C)(C)C)cc2)CC1 ZINC001208859748 1117940978 /nfs/dbraw/zinc/94/09/78/1117940978.db2.gz ZBWRUQYKSNGDMK-UHFFFAOYSA-N 0 3 284.479 3.547 20 30 CHEDHN C=CC(C)(C)CCN[C@@H]1CCCc2scnc21 ZINC000624036999 1117972684 /nfs/dbraw/zinc/97/26/84/1117972684.db2.gz ICAPJPZKTZANEB-LLVKDONJSA-N 0 3 250.411 3.712 20 30 CHEDHN C=CCC[C@H](O)CN[C@@H](CCC)c1ccc(F)cc1F ZINC000181675269 1118003477 /nfs/dbraw/zinc/00/34/77/1118003477.db2.gz NSYBCSZAWPNREN-BBRMVZONSA-N 0 3 283.362 3.723 20 30 CHEDHN N#CCCCNC(c1ccccc1)c1ccccc1 ZINC000037374974 1118020859 /nfs/dbraw/zinc/02/08/59/1118020859.db2.gz YPGJKJLNNJSPPV-UHFFFAOYSA-N 0 3 250.345 3.669 20 30 CHEDHN C[C@H](NCCCCC#N)c1nc(C(C)(C)C)cs1 ZINC000184466026 1118054815 /nfs/dbraw/zinc/05/48/15/1118054815.db2.gz IAVXZYKGGNUTGQ-NSHDSACASA-N 0 3 265.426 3.785 20 30 CHEDHN C=C(C)CN(C)Cc1ccccc1N1CCCCC1 ZINC000764805249 1118115973 /nfs/dbraw/zinc/11/59/73/1118115973.db2.gz NXOGUHZZFFIQDT-UHFFFAOYSA-N 0 3 258.409 3.685 20 30 CHEDHN COc1ccc([C@H](NCc2csc(C#N)c2)C2CC2)cc1 ZINC000921514781 1118155102 /nfs/dbraw/zinc/15/51/02/1118155102.db2.gz XWLPBVHONSOREV-QGZVFWFLSA-N 0 3 298.411 3.869 20 30 CHEDHN CCc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000615795793 1128762693 /nfs/dbraw/zinc/76/26/93/1128762693.db2.gz YQLBJUIIBVUKLO-AWEZNQCLSA-N 0 3 264.372 3.971 20 30 CHEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1ccccc1F ZINC000075655597 1128763917 /nfs/dbraw/zinc/76/39/17/1128763917.db2.gz YTFFWGZZBHXSFS-SFHVURJKSA-N 0 3 285.362 3.547 20 30 CHEDHN Cc1cc(C#N)cc(Nc2ccc3c(c2)CN(C)CC3)c1 ZINC001210393044 1118272073 /nfs/dbraw/zinc/27/20/73/1118272073.db2.gz UYSNZCNBYHCFFZ-UHFFFAOYSA-N 0 3 277.371 3.598 20 30 CHEDHN Cc1cc(F)ccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000610344872 1118337169 /nfs/dbraw/zinc/33/71/69/1118337169.db2.gz JWBMNJXVTLQFFQ-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN N#CC(C(=O)CC/C=C\c1ccccc1)c1ccccn1 ZINC000255160982 1118352647 /nfs/dbraw/zinc/35/26/47/1118352647.db2.gz PXVAMBLZSZFNCS-AGHZKPIHSA-N 0 3 276.339 3.751 20 30 CHEDHN C=C(C)CNCc1cnc(C2CCCCC2)s1 ZINC000556837464 1118424502 /nfs/dbraw/zinc/42/45/02/1118424502.db2.gz XRZUEPWJRIZZPW-UHFFFAOYSA-N 0 3 250.411 3.857 20 30 CHEDHN C=CCCCCCN(C)Cc1c(C2CCC2)cnn1C ZINC001657448818 1118456082 /nfs/dbraw/zinc/45/60/82/1118456082.db2.gz MEDRIUOSRAAGKT-UHFFFAOYSA-N 0 3 275.440 3.866 20 30 CHEDHN C=CCOc1ccc(CN(C)Cc2ccc(O)cc2)cc1 ZINC000349370603 1118549144 /nfs/dbraw/zinc/54/91/44/1118549144.db2.gz ROAZOXDWFGYDMO-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)s1 ZINC000334330542 1118549633 /nfs/dbraw/zinc/54/96/33/1118549633.db2.gz OMFJKAWPYKSCOD-MEDUHNTESA-N 0 3 268.385 3.643 20 30 CHEDHN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)s1 ZINC000334330540 1118549755 /nfs/dbraw/zinc/54/97/55/1118549755.db2.gz OMFJKAWPYKSCOD-BDJLRTHQSA-N 0 3 268.385 3.643 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1C ZINC000933483870 1118704369 /nfs/dbraw/zinc/70/43/69/1118704369.db2.gz OEOAXKLSZWNVQG-GFCCVEGCSA-N 0 3 286.400 3.788 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(C)(C)C ZINC000121517581 1118730426 /nfs/dbraw/zinc/73/04/26/1118730426.db2.gz OJDQTHVFAADZKD-LBPRGKRZSA-N 0 3 283.375 3.576 20 30 CHEDHN Cc1ccc(OC(F)F)c([C@H](C)NCC2(CC#N)CC2)c1 ZINC000430757571 1118767915 /nfs/dbraw/zinc/76/79/15/1118767915.db2.gz WNJFZZKDFZGUEW-LBPRGKRZSA-N 0 3 294.345 3.941 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1oc2ccccc2c1C ZINC000090883708 1118777991 /nfs/dbraw/zinc/77/79/91/1118777991.db2.gz ZVOUCCWVGIGPMH-AWEZNQCLSA-N 0 3 273.376 3.985 20 30 CHEDHN CN(CCCCC1CCOCC1)Cc1cc(C#N)cs1 ZINC000933772771 1118794028 /nfs/dbraw/zinc/79/40/28/1118794028.db2.gz UYFMQYRLBCWIRU-UHFFFAOYSA-N 0 3 292.448 3.648 20 30 CHEDHN N#Cc1cc(CN2C3CCCC2CCC3)ccc1F ZINC000610720073 1118840926 /nfs/dbraw/zinc/84/09/26/1118840926.db2.gz PLDHFLIGEJFLFE-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN C=C(C)CN[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000342554235 1119081544 /nfs/dbraw/zinc/08/15/44/1119081544.db2.gz AQEPMZPUUPACFN-INIZCTEOSA-N 0 3 275.392 3.544 20 30 CHEDHN C=C(C)CN[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000342554236 1119081809 /nfs/dbraw/zinc/08/18/09/1119081809.db2.gz AQEPMZPUUPACFN-MRXNPFEDSA-N 0 3 275.392 3.544 20 30 CHEDHN C[C@@H]1CCCN(Cc2cc(C#N)ccc2Cl)[C@@H]1C ZINC001140601125 1119240294 /nfs/dbraw/zinc/24/02/94/1119240294.db2.gz HGVVSSMLJHFCQA-VXGBXAGGSA-N 0 3 262.784 3.832 20 30 CHEDHN N#Cc1csc(CN[C@@H](c2cccs2)C2CC2)c1 ZINC000343075216 1119301363 /nfs/dbraw/zinc/30/13/63/1119301363.db2.gz ZCFYGWYLKSGMRW-CQSZACIVSA-N 0 3 274.414 3.922 20 30 CHEDHN C=CC[C@@H]1N(Cc2nc(C)c(C)[nH]2)CCCC1(C)C ZINC000628253083 1128836032 /nfs/dbraw/zinc/83/60/32/1128836032.db2.gz SSLRBUNODDAXFF-AWEZNQCLSA-N 0 3 261.413 3.593 20 30 CHEDHN C=CCCN(C)Cc1cnc(-c2ccc(C)o2)s1 ZINC000343450428 1119423088 /nfs/dbraw/zinc/42/30/88/1119423088.db2.gz XFMGAVKTEVVPEX-UHFFFAOYSA-N 0 3 262.378 3.719 20 30 CHEDHN C=C(C)[C@@H](NC[C@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000187785600 1119513055 /nfs/dbraw/zinc/51/30/55/1119513055.db2.gz KSPALVKMGDEAPD-CZUORRHYSA-N 0 3 281.346 3.741 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000628406460 1128855829 /nfs/dbraw/zinc/85/58/29/1128855829.db2.gz KIAQZYYMOIAPGW-GFCCVEGCSA-N 0 3 287.432 3.671 20 30 CHEDHN C=CC[C@H]1CCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000628406461 1128856301 /nfs/dbraw/zinc/85/63/01/1128856301.db2.gz KIAQZYYMOIAPGW-LBPRGKRZSA-N 0 3 287.432 3.671 20 30 CHEDHN N#CC(C(=O)c1ccc(F)cc1)c1nc(C2CC2)cs1 ZINC000647371121 1119698849 /nfs/dbraw/zinc/69/88/49/1119698849.db2.gz KZMAJJHDMFBAPF-GFCCVEGCSA-N 0 3 286.331 3.650 20 30 CHEDHN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)c1ccc2ccccc2n1 ZINC000892427467 1119707209 /nfs/dbraw/zinc/70/72/09/1119707209.db2.gz NKXFKNFBDTVXCP-HRCADAONSA-N 0 3 290.366 3.847 20 30 CHEDHN CN(CC#Cc1ccc(Cl)cc1)Cc1ccccc1O ZINC000177154104 1119768343 /nfs/dbraw/zinc/76/83/43/1119768343.db2.gz NYPDPMNLVBGLSI-UHFFFAOYSA-N 0 3 285.774 3.529 20 30 CHEDHN CC[C@H](NCC(C)(C)CC#N)c1ccccc1OC ZINC000414158833 1119919490 /nfs/dbraw/zinc/91/94/90/1119919490.db2.gz ANSINXZADKHXJG-AWEZNQCLSA-N 0 3 260.381 3.676 20 30 CHEDHN CC[C@H](NCC(C)(C)CC#N)c1cc(C)ccc1OC ZINC000414169717 1119925349 /nfs/dbraw/zinc/92/53/49/1119925349.db2.gz RYLUPUUAEWTAII-HNNXBMFYSA-N 0 3 274.408 3.984 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1nccc2ccccc21 ZINC000414171856 1119925843 /nfs/dbraw/zinc/92/58/43/1119925843.db2.gz VMJDPESGKALJIO-CYBMUJFWSA-N 0 3 267.376 3.825 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1nccs1 ZINC000414302525 1119973043 /nfs/dbraw/zinc/97/30/43/1119973043.db2.gz MOIQIAJIHISEHU-DZGCQCFKSA-N 0 3 272.417 3.981 20 30 CHEDHN CC(C)(C#N)CN[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000613540419 1120016445 /nfs/dbraw/zinc/01/64/45/1120016445.db2.gz WATNDBASNHIPGH-GJZGRUSLSA-N 0 3 260.356 3.601 20 30 CHEDHN COc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1C ZINC000273070683 1120057365 /nfs/dbraw/zinc/05/73/65/1120057365.db2.gz NDBMWOXNVGPCTA-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN C=CCC[C@@H](O)CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661445590 1120074950 /nfs/dbraw/zinc/07/49/50/1120074950.db2.gz ITKNEXJADJWWCN-ZBFHGGJFSA-N 0 3 275.392 3.524 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1ccccc1OC(F)F ZINC000924592339 1120077036 /nfs/dbraw/zinc/07/70/36/1120077036.db2.gz OTGKZGCCFFJVLC-LLVKDONJSA-N 0 3 282.334 3.706 20 30 CHEDHN C=CCSCCN[C@H](C)c1cc(F)ccc1F ZINC000180457948 1120099338 /nfs/dbraw/zinc/09/93/38/1120099338.db2.gz QTJDQPJUXVHEDF-SNVBAGLBSA-N 0 3 257.349 3.535 20 30 CHEDHN C=CCN(CC=C)CCOc1ccccc1Br ZINC000508895005 1120117062 /nfs/dbraw/zinc/11/70/62/1120117062.db2.gz WFVKOMOJAYXIGI-UHFFFAOYSA-N 0 3 296.208 3.502 20 30 CHEDHN C=CCCC[C@@H](C)N(C)CC(=O)Nc1ccccc1CC ZINC000091537097 1128894232 /nfs/dbraw/zinc/89/42/32/1128894232.db2.gz XJQXTFFFULJBBR-OAHLLOKOSA-N 0 3 288.435 3.864 20 30 CHEDHN CN1CC[C@@H](Nc2ccc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000302835570 1120164180 /nfs/dbraw/zinc/16/41/80/1120164180.db2.gz VPMCDASBGKJGHV-QZTJIDSGSA-N 0 3 295.361 3.555 20 30 CHEDHN COc1cccc2c1CC[C@@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000153712645 1120165207 /nfs/dbraw/zinc/16/52/07/1120165207.db2.gz JSHLEYDSTLBZCL-ACJLOTCBSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CC1CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000111256292 1120257675 /nfs/dbraw/zinc/25/76/75/1120257675.db2.gz PDHPZXZXRUPSAX-UHFFFAOYSA-N 0 3 277.433 3.815 20 30 CHEDHN CN(C/C=C\c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000255283740 1120347260 /nfs/dbraw/zinc/34/72/60/1120347260.db2.gz UPAHNKTVOJJBSA-IHWYPQMZSA-N 0 3 280.346 3.843 20 30 CHEDHN COc1ccccc1[C@@H](C)N[C@H](C)CC(C)(C)C#N ZINC000695815042 1120503820 /nfs/dbraw/zinc/50/38/20/1120503820.db2.gz JUXUEWRMDPPKTK-CHWSQXEVSA-N 0 3 260.381 3.674 20 30 CHEDHN C=C(Cl)CN[C@@H](COCc1ccccc1)C(C)C ZINC000783253237 1120570645 /nfs/dbraw/zinc/57/06/45/1120570645.db2.gz ZTXSATNJXIBQNM-HNNXBMFYSA-N 0 3 267.800 3.570 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000155072683 1120570718 /nfs/dbraw/zinc/57/07/18/1120570718.db2.gz BOFSDBMMFYAPST-IBGZPJMESA-N 0 3 291.398 3.635 20 30 CHEDHN C=C(C)[C@@H](N[C@@H](C)COC(C)C)c1ccc(F)c(F)c1 ZINC000500405245 1120614244 /nfs/dbraw/zinc/61/42/44/1120614244.db2.gz SLWKRFGYMLZUHV-BLLLJJGKSA-N 0 3 283.362 3.985 20 30 CHEDHN CC[C@H]1CCCCN1CCNc1c(F)cc(C#N)cc1F ZINC000500418138 1120619237 /nfs/dbraw/zinc/61/92/37/1120619237.db2.gz DOPPKSJJSCNNDA-ZDUSSCGKSA-N 0 3 293.361 3.513 20 30 CHEDHN C=CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000766021528 1120664485 /nfs/dbraw/zinc/66/44/85/1120664485.db2.gz UJYJFOHTFDRMDN-SUMWQHHRSA-N 0 3 297.358 3.958 20 30 CHEDHN C=CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000766021527 1120665025 /nfs/dbraw/zinc/66/50/25/1120665025.db2.gz UJYJFOHTFDRMDN-GUYCJALGSA-N 0 3 297.358 3.958 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2csc(CC)n2)C1 ZINC000651702241 1120715876 /nfs/dbraw/zinc/71/58/76/1120715876.db2.gz NGHMRRXXKBMRFW-VXGBXAGGSA-N 0 3 250.411 3.540 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc2ccccc2c(=O)[nH]1 ZINC000661116050 1120719477 /nfs/dbraw/zinc/71/94/77/1120719477.db2.gz HCTMBVOSXPESSP-HIFRSBDPSA-N 0 3 297.402 3.560 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(-c2ccoc2)no1 ZINC000661116377 1120721400 /nfs/dbraw/zinc/72/14/00/1120721400.db2.gz JKKSVYBMPQTKPR-GXTWGEPZSA-N 0 3 287.363 3.554 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000651732381 1120730435 /nfs/dbraw/zinc/73/04/35/1120730435.db2.gz SXPOXNYFZDDOSZ-ARFHVFGLSA-N 0 3 296.418 3.663 20 30 CHEDHN C=CC[C@H]1CC[C@@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000651736763 1120730818 /nfs/dbraw/zinc/73/08/18/1120730818.db2.gz HVQCZYCDCAQLLE-LSDHHAIUSA-N 0 3 273.424 3.833 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000661378818 1120759353 /nfs/dbraw/zinc/75/93/53/1120759353.db2.gz MUIRETOMQOYHSK-ZDUSSCGKSA-N 0 3 256.349 3.616 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2ccc(F)cc21 ZINC000618803172 1128939786 /nfs/dbraw/zinc/93/97/86/1128939786.db2.gz GZSSXQULQBIEPG-MOPGFXCFSA-N 0 3 292.357 3.962 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2c1cccc2F ZINC000618802944 1128939946 /nfs/dbraw/zinc/93/99/46/1128939946.db2.gz GHUPUCWLOFRFIS-RTBURBONSA-N 0 3 292.357 3.962 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2cc(F)ccc21 ZINC000618805245 1128940043 /nfs/dbraw/zinc/94/00/43/1128940043.db2.gz NJRAFMSPRJYDEN-OALUTQOASA-N 0 3 292.357 3.962 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2cnccc2c1 ZINC000618808949 1128940608 /nfs/dbraw/zinc/94/06/08/1128940608.db2.gz MDZUZDRWAXSISQ-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccs1 ZINC000618807344 1128940928 /nfs/dbraw/zinc/94/09/28/1128940928.db2.gz YFPNGCAZHMVBSK-ABAIWWIYSA-N 0 3 268.385 3.958 20 30 CHEDHN C[C@H](c1ccccc1)[C@H](C)NCc1ccc(F)cc1C#N ZINC000495410659 1120798852 /nfs/dbraw/zinc/79/88/52/1120798852.db2.gz YLLJNHLOEYWTRH-KBPBESRZSA-N 0 3 282.362 3.979 20 30 CHEDHN C=CCN(Cc1cnc(-c2ccccc2)nc1)C(C)(C)C ZINC000661760509 1120811406 /nfs/dbraw/zinc/81/14/06/1120811406.db2.gz WPZSIBCUSIEFBK-UHFFFAOYSA-N 0 3 281.403 3.930 20 30 CHEDHN CC#CCCNCc1ccc(Br)cc1Cl ZINC000125579457 1120822919 /nfs/dbraw/zinc/82/29/19/1120822919.db2.gz QRUWPWJKAXOAOL-UHFFFAOYSA-N 0 3 286.600 3.606 20 30 CHEDHN C=CCN(Cc1cncs1)CC1CCCCC1 ZINC000093382934 1128952333 /nfs/dbraw/zinc/95/23/33/1128952333.db2.gz OCRDUFICYWURCC-UHFFFAOYSA-N 0 3 250.411 3.711 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1COC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000657980808 1121041051 /nfs/dbraw/zinc/04/10/51/1121041051.db2.gz DRJGCVOTUCGNLA-BBRMVZONSA-N 0 3 293.357 3.883 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000625702279 1121061531 /nfs/dbraw/zinc/06/15/31/1121061531.db2.gz WPFNPYZIDUOQGS-ZDUSSCGKSA-N 0 3 286.350 3.879 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000625705252 1121065683 /nfs/dbraw/zinc/06/56/83/1121065683.db2.gz ZHQQOVCCJRAMLY-ZDUSSCGKSA-N 0 3 286.350 3.879 20 30 CHEDHN CN1CCCC[C@@H]1c1ccc(N[C@H]2CC[C@H](C#N)CC2)nc1 ZINC001167844463 1121075774 /nfs/dbraw/zinc/07/57/74/1121075774.db2.gz PEVWEMOIYJZJCL-DJIMGWMZSA-N 0 3 298.434 3.733 20 30 CHEDHN COc1ccc(C2(N[C@@H](C)CC(C)(C)C#N)CC2)cc1 ZINC000925821385 1121127511 /nfs/dbraw/zinc/12/75/11/1121127511.db2.gz MWLQSUVNPRQRIO-ZDUSSCGKSA-N 0 3 272.392 3.602 20 30 CHEDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000076067580 1121140842 /nfs/dbraw/zinc/14/08/42/1121140842.db2.gz XKHCUNFYWGIJDY-CABCVRRESA-N 0 3 292.423 3.803 20 30 CHEDHN C[C@H]1Cc2ccccc2CN1Cc1cccc(C#N)c1 ZINC000172908627 1121166512 /nfs/dbraw/zinc/16/65/12/1121166512.db2.gz WKSVNCAAFWTFQS-AWEZNQCLSA-N 0 3 262.356 3.505 20 30 CHEDHN CCCc1cc(C(=O)C(C#N)c2ccncn2)ccc1Cl ZINC000351600421 1121184492 /nfs/dbraw/zinc/18/44/92/1121184492.db2.gz YJOWZKKZKIOHJM-CYBMUJFWSA-N 0 3 299.761 3.573 20 30 CHEDHN C=C(C)CN(CCC(C)(C)CC)Cc1ccc(CO)o1 ZINC000512221425 1121208331 /nfs/dbraw/zinc/20/83/31/1121208331.db2.gz YKZZLJAWSFFCMT-UHFFFAOYSA-N 0 3 279.424 3.976 20 30 CHEDHN C=C(CNCc1cnc(C2CC2)s1)c1ccccc1 ZINC000675551597 1121326837 /nfs/dbraw/zinc/32/68/37/1121326837.db2.gz NBIRHYIOSNZIQP-UHFFFAOYSA-N 0 3 270.401 3.824 20 30 CHEDHN C=C(C)CN(CCc1ccc(C)cc1)Cc1ccc(CO)o1 ZINC000512473333 1121379529 /nfs/dbraw/zinc/37/95/29/1121379529.db2.gz CIPXOFWRYLILHQ-UHFFFAOYSA-N 0 3 299.414 3.701 20 30 CHEDHN C=C(C)CN(CC)Cc1cn(C(C)=O)c2ccccc12 ZINC001204411445 1121436556 /nfs/dbraw/zinc/43/65/56/1121436556.db2.gz YNCLSAIWJADDRE-UHFFFAOYSA-N 0 3 270.376 3.699 20 30 CHEDHN Cc1cc(F)c(CNC2CCC(C)(C#N)CC2)c(F)c1 ZINC000922946162 1121494278 /nfs/dbraw/zinc/49/42/78/1121494278.db2.gz BMKNINJJQXJNTC-UHFFFAOYSA-N 0 3 278.346 3.835 20 30 CHEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2ccsc2)c1 ZINC000051853146 1121577378 /nfs/dbraw/zinc/57/73/78/1121577378.db2.gz JVDOWUMDGCPOAY-QGZVFWFLSA-N 0 3 298.411 3.836 20 30 CHEDHN C=C[C@H](C)NCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000614245667 1121578700 /nfs/dbraw/zinc/57/87/00/1121578700.db2.gz OILRSQFSKDLYSY-ZDUSSCGKSA-N 0 3 299.370 3.787 20 30 CHEDHN CN(CCc1ccccc1O)CCC1(C#N)CCCCC1 ZINC000411511262 1121598949 /nfs/dbraw/zinc/59/89/49/1121598949.db2.gz IIMACEKSKHACNZ-UHFFFAOYSA-N 0 3 286.419 3.731 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000611327086 1121637745 /nfs/dbraw/zinc/63/77/45/1121637745.db2.gz HNTHBBCIWFYYQA-ZIAGYGMSSA-N 0 3 265.360 3.674 20 30 CHEDHN CCC[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000611376614 1121642641 /nfs/dbraw/zinc/64/26/41/1121642641.db2.gz YPDOBASFTPWTTH-KRWDZBQOSA-N 0 3 265.360 3.584 20 30 CHEDHN Cc1cc([C@@H](NCc2ccnc(C#N)c2)C2CC2)ccc1F ZINC000611434651 1121647669 /nfs/dbraw/zinc/64/76/69/1121647669.db2.gz CJDQEXRHOXTSIU-SFHVURJKSA-N 0 3 295.361 3.642 20 30 CHEDHN C=C[C@H](COC)N[C@H](C)c1cc(Br)ccc1C ZINC001118805808 1121685332 /nfs/dbraw/zinc/68/53/32/1121685332.db2.gz IJGCOFALANKVOY-DGCLKSJQSA-N 0 3 298.224 3.609 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000619671992 1129003629 /nfs/dbraw/zinc/00/36/29/1129003629.db2.gz GYGNLEHGBUOFIN-GOEBONIOSA-N 0 3 293.370 3.656 20 30 CHEDHN CCc1cnccc1[C@H](C)NCc1ccc(C#N)cc1C ZINC000614406216 1121711699 /nfs/dbraw/zinc/71/16/99/1121711699.db2.gz XPLKDKRREIMGSF-AWEZNQCLSA-N 0 3 279.387 3.675 20 30 CHEDHN Cc1cc(C#N)ccc1CNC1(c2ccccc2)CC1 ZINC000614407442 1121713057 /nfs/dbraw/zinc/71/30/57/1121713057.db2.gz QUYAODZTJJXHMQ-UHFFFAOYSA-N 0 3 262.356 3.646 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCC(C)(C)C ZINC000729068230 1121739095 /nfs/dbraw/zinc/73/90/95/1121739095.db2.gz ZEDHYWYFASDKCW-CYBMUJFWSA-N 0 3 297.402 3.966 20 30 CHEDHN N#CCOc1ccc(CN2CCC[C@H]2c2ccsc2)cc1 ZINC000729267411 1121770259 /nfs/dbraw/zinc/77/02/59/1121770259.db2.gz VHENOYOZOACVDN-KRWDZBQOSA-N 0 3 298.411 3.988 20 30 CHEDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCC1(C#N)CCC1 ZINC001119605844 1121817272 /nfs/dbraw/zinc/81/72/72/1121817272.db2.gz BFGJRQMBZKXSGZ-QWHCGFSZSA-N 0 3 270.376 3.532 20 30 CHEDHN C=CCCCC[C@H](C)NCc1nccn1CC(F)(F)F ZINC000345180106 1121854422 /nfs/dbraw/zinc/85/44/22/1121854422.db2.gz ZXQSXBZMJUUXMO-LBPRGKRZSA-N 0 3 289.345 3.670 20 30 CHEDHN C[C@@H](COCC1CCCCC1)NCc1csc(C#N)c1 ZINC001179642812 1121896858 /nfs/dbraw/zinc/89/68/58/1121896858.db2.gz YEWSRGGOSKMYJC-ZDUSSCGKSA-N 0 3 292.448 3.695 20 30 CHEDHN C=CCC1(c2nc(-c3ccc(CN(C)C)cc3)no2)CCC1 ZINC000345696147 1121905007 /nfs/dbraw/zinc/90/50/07/1121905007.db2.gz NXBRHYMDRYJIOA-UHFFFAOYSA-N 0 3 297.402 3.796 20 30 CHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(C(C)(C)C)s1 ZINC000280599086 1121914618 /nfs/dbraw/zinc/91/46/18/1121914618.db2.gz JCYDVMWMCKIOMP-IUODEOHRSA-N 0 3 294.464 3.511 20 30 CHEDHN C=C(C)CN(C)Cc1cc(Br)cs1 ZINC000047751512 1121929320 /nfs/dbraw/zinc/92/93/20/1121929320.db2.gz PBLOHDDJHMPEQP-UHFFFAOYSA-N 0 3 260.200 3.519 20 30 CHEDHN C#CCN(CC)Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001180280886 1121975793 /nfs/dbraw/zinc/97/57/93/1121975793.db2.gz PCHFNGUISMKQJS-UHFFFAOYSA-N 0 3 253.389 3.897 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(F)c2)cc1 ZINC000733321353 1121976033 /nfs/dbraw/zinc/97/60/33/1121976033.db2.gz BITDBQBDBBMRIL-CQSZACIVSA-N 0 3 283.346 3.689 20 30 CHEDHN N#CC1(CN2CCCCC[C@H]2c2ccccc2)CC1 ZINC000501536944 1121985945 /nfs/dbraw/zinc/98/59/45/1121985945.db2.gz AIKYVXYBWUROPS-INIZCTEOSA-N 0 3 254.377 3.907 20 30 CHEDHN C=CCCCCNCc1nnn(-c2ccccc2)c1C1CC1 ZINC001181044565 1122030494 /nfs/dbraw/zinc/03/04/94/1122030494.db2.gz VMGNICQYCAKXIS-UHFFFAOYSA-N 0 3 296.418 3.591 20 30 CHEDHN CCCCCCC[C@H](C)C(=O)N1C[C@H]2[C@H](C1)CCCN2C ZINC001181122512 1122036838 /nfs/dbraw/zinc/03/68/38/1122036838.db2.gz UJQCCARVLPNNJR-ULQDDVLXSA-N 0 3 294.483 3.536 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cnc2c(F)cccc2c1 ZINC001181315236 1122049778 /nfs/dbraw/zinc/04/97/78/1122049778.db2.gz LAOULKHUFMQGFB-HNNXBMFYSA-N 0 3 270.351 3.914 20 30 CHEDHN C=CCOc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1OC ZINC000414510052 1122089358 /nfs/dbraw/zinc/08/93/58/1122089358.db2.gz GVJINXGNJGJMMB-HUUCEWRRSA-N 0 3 293.382 3.630 20 30 CHEDHN N#CCCCOc1cccc(CN[C@@H]2CCCC[C@H]2F)c1 ZINC000414513247 1122103384 /nfs/dbraw/zinc/10/33/84/1122103384.db2.gz OVUMQUKFXFXHOS-IAGOWNOFSA-N 0 3 290.382 3.739 20 30 CHEDHN CCC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccccn1 ZINC000924946330 1122206632 /nfs/dbraw/zinc/20/66/32/1122206632.db2.gz NAGIFFYRDFEKDN-ZFWWWQNUSA-N 0 3 259.397 3.841 20 30 CHEDHN N#Cc1cccc(CN(CCc2ccccc2)C2CC2)c1F ZINC000774583981 1122207752 /nfs/dbraw/zinc/20/77/52/1122207752.db2.gz VYMDDCXTMUSVDR-UHFFFAOYSA-N 0 3 294.373 3.904 20 30 CHEDHN C=CC[C@H](NCc1cccc2c1NCCC2)c1ccncc1 ZINC000894272507 1122258330 /nfs/dbraw/zinc/25/83/30/1122258330.db2.gz CKHASFWIGQSOKC-SFHVURJKSA-N 0 3 293.414 3.847 20 30 CHEDHN C=C(C)C(C)(C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000424761473 1122340363 /nfs/dbraw/zinc/34/03/63/1122340363.db2.gz XXKUUEQOWIMINF-UHFFFAOYSA-N 0 3 274.408 3.597 20 30 CHEDHN C=CCO[C@@H]1CCN(C/C=C\c2c(C)cc(C)cc2C)C1 ZINC001204961797 1122459768 /nfs/dbraw/zinc/45/97/68/1122459768.db2.gz UWILBLPHZPUZFR-HPFMTEOYSA-N 0 3 285.431 3.902 20 30 CHEDHN C[C@H](CCc1ccccc1)NCC1(C#N)CCCC1 ZINC000405161139 1122494923 /nfs/dbraw/zinc/49/49/23/1122494923.db2.gz YAOXGMGXXZYAEQ-OAHLLOKOSA-N 0 3 256.393 3.681 20 30 CHEDHN C=C(C)CN(CC)Cc1c(C)nn(-c2ccccc2)c1C ZINC000505863675 1122571476 /nfs/dbraw/zinc/57/14/76/1122571476.db2.gz FRQCQXCQKBWBMU-UHFFFAOYSA-N 0 3 283.419 3.887 20 30 CHEDHN CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(C)ccn1 ZINC000601283321 1122606813 /nfs/dbraw/zinc/60/68/13/1122606813.db2.gz WDVPAWMHMFDJJB-RRFJBIMHSA-N 0 3 257.381 3.513 20 30 CHEDHN CCCCCCCCCC(=O)N1CCC2(CN(C)C2)CC1 ZINC001270238155 1122644341 /nfs/dbraw/zinc/64/43/41/1122644341.db2.gz NVGHHQVAWSLAPT-UHFFFAOYSA-N 0 3 294.483 3.681 20 30 CHEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC001192661917 1122655787 /nfs/dbraw/zinc/65/57/87/1122655787.db2.gz HLAMTLAUCDSPOP-CABCVRRESA-N 0 3 289.419 3.937 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(C3CC3)cc2F)C1 ZINC000425941712 1122671010 /nfs/dbraw/zinc/67/10/10/1122671010.db2.gz CPVMYHWECYHIDP-MLGOLLRUSA-N 0 3 272.367 3.875 20 30 CHEDHN C#C[C@H](N[C@H](C)c1cccc2ccccc21)[C@H]1CCCO1 ZINC000775571569 1122677518 /nfs/dbraw/zinc/67/75/18/1122677518.db2.gz IKLFGRADKPQQRB-MDASCCDHSA-N 0 3 279.383 3.671 20 30 CHEDHN C#CC[C@@H](NCc1cccc2c1NCCC2)c1ccccc1 ZINC000894362052 1122717787 /nfs/dbraw/zinc/71/77/87/1122717787.db2.gz QJANCCONGOBAFJ-LJQANCHMSA-N 0 3 290.410 3.899 20 30 CHEDHN N#CC(C(=O)C=CSc1ccccc1)c1ccccn1 ZINC000193388114 1129073857 /nfs/dbraw/zinc/07/38/57/1129073857.db2.gz XAMJAAMOHDTVIC-CFRMROPGSA-N 0 3 280.352 3.564 20 30 CHEDHN C#CCN(Cc1c(C)c(C)c(C)c(C)c1C)C1CC1 ZINC001194435217 1122777701 /nfs/dbraw/zinc/77/77/01/1122777701.db2.gz BJDDDWIYTIJZCW-UHFFFAOYSA-N 0 3 255.405 3.826 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(OC(F)F)c1 ZINC000426457660 1122797121 /nfs/dbraw/zinc/79/71/21/1122797121.db2.gz YRDSCLKXDWBXSA-OCCSQVGLSA-N 0 3 292.329 3.534 20 30 CHEDHN CC(C)N(Cc1cc(C#N)ccn1)[C@@H](C)c1ccccc1 ZINC001194816915 1122808527 /nfs/dbraw/zinc/80/85/27/1122808527.db2.gz MPNDWLIDTLZFEY-HNNXBMFYSA-N 0 3 279.387 3.925 20 30 CHEDHN C=C[C@H]1CCCCN1C/C=C\c1ccccc1OC ZINC000426570139 1122824466 /nfs/dbraw/zinc/82/44/66/1122824466.db2.gz IMHIWFKQIKGBAJ-YHWKNFMLSA-N 0 3 257.377 3.749 20 30 CHEDHN N#Cc1cc(CN(Cc2ccc(O)cc2)CC2CC2)cs1 ZINC000894456941 1122855752 /nfs/dbraw/zinc/85/57/52/1122855752.db2.gz WAYKNCDNKQLKRR-UHFFFAOYSA-N 0 3 298.411 3.738 20 30 CHEDHN C#C[C@H](NC1CC2(C1)CO[C@H](C)C2)c1ccc(Cl)cc1 ZINC000894552473 1122874099 /nfs/dbraw/zinc/87/40/99/1122874099.db2.gz HZILGDZYSZDOLW-XBOHUIDSSA-N 0 3 289.806 3.562 20 30 CHEDHN C=C(CNCc1cc(C)ccc1OC)c1ccccc1 ZINC000620756680 1129083818 /nfs/dbraw/zinc/08/38/18/1129083818.db2.gz MJPZPEPWSJWTSP-UHFFFAOYSA-N 0 3 267.372 3.807 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCCCCC1 ZINC000102115675 1122882904 /nfs/dbraw/zinc/88/29/04/1122882904.db2.gz FQEXHKQBKIUJHE-AWEZNQCLSA-N 0 3 295.386 3.720 20 30 CHEDHN C=CCCC[C@@H](C)N(C)Cc1cnc(C(C)C)nc1 ZINC000440479626 1122907840 /nfs/dbraw/zinc/90/78/40/1122907840.db2.gz RRGFLZFTPBLXCQ-CQSZACIVSA-N 0 3 261.413 3.777 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001196583400 1122926997 /nfs/dbraw/zinc/92/69/97/1122926997.db2.gz OCDHSZDXPPDRNG-CQSZACIVSA-N 0 3 296.336 3.949 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC2 ZINC000507205927 1122936696 /nfs/dbraw/zinc/93/66/96/1122936696.db2.gz AFMCGMDCJPSQPY-UHFFFAOYSA-N 0 3 276.383 3.679 20 30 CHEDHN COc1cccc(Cl)c1CNCC(C)(C)CCC#N ZINC000188280811 1123056047 /nfs/dbraw/zinc/05/60/47/1123056047.db2.gz JUFPNUYEMQSLNM-UHFFFAOYSA-N 0 3 280.799 3.768 20 30 CHEDHN C=CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000776156941 1123086922 /nfs/dbraw/zinc/08/69/22/1123086922.db2.gz MVFNCAQRJCKUEJ-KSSFIOAISA-N 0 3 277.371 3.921 20 30 CHEDHN CC[C@H](C)CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001201520504 1123121780 /nfs/dbraw/zinc/12/17/80/1123121780.db2.gz BIGZQIVYAUUYFP-AWEZNQCLSA-N 0 3 274.383 3.729 20 30 CHEDHN Cc1oc(C(C)C)cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000330616118 1123122432 /nfs/dbraw/zinc/12/24/32/1123122432.db2.gz UVHBPKXKVNHUBV-CQSZACIVSA-N 0 3 297.358 3.608 20 30 CHEDHN N#Cc1ccc(Nc2ccnc(C3CC3)c2)c(F)c1 ZINC001201566418 1123125076 /nfs/dbraw/zinc/12/50/76/1123125076.db2.gz DLRNZLRQVHTDDF-UHFFFAOYSA-N 0 3 253.280 3.713 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(F)cc1C#N ZINC000441464290 1123136214 /nfs/dbraw/zinc/13/62/14/1123136214.db2.gz AJNJTLAMNPDRFR-IGCXYCKISA-N 0 3 272.367 3.850 20 30 CHEDHN CCCCCCCCCCN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001201853037 1123152586 /nfs/dbraw/zinc/15/25/86/1123152586.db2.gz YTRKJVHDCVNENW-OKZBNKHCSA-N 0 3 297.483 3.599 20 30 CHEDHN CCCCCCCCCCN1CCc2cnn(C)c2C1 ZINC001201875149 1123156786 /nfs/dbraw/zinc/15/67/86/1123156786.db2.gz REUACBKUHJJKPH-UHFFFAOYSA-N 0 3 277.456 3.919 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1csc(C(C)C)n1 ZINC000280824023 1123182090 /nfs/dbraw/zinc/18/20/90/1123182090.db2.gz NSYVOEFKTCVQFV-NFAWXSAZSA-N 0 3 294.464 3.898 20 30 CHEDHN N#CCC1(CN[C@H]2CCSc3c(F)cccc32)CC1 ZINC000430739333 1123224129 /nfs/dbraw/zinc/22/41/29/1123224129.db2.gz HXJQRCKQABOVQR-ZDUSSCGKSA-N 0 3 276.380 3.646 20 30 CHEDHN C=CC[C@H](NCc1cc(COC)cs1)c1ccncc1 ZINC000850137877 1123243970 /nfs/dbraw/zinc/24/39/70/1123243970.db2.gz UVVQYYMNIJQHQT-INIZCTEOSA-N 0 3 288.416 3.697 20 30 CHEDHN C#CC[C@H](NCc1cc(COC)cs1)c1ccccc1 ZINC000850227052 1123248216 /nfs/dbraw/zinc/24/82/16/1123248216.db2.gz WRTFUWKOHWPFNV-KRWDZBQOSA-N 0 3 285.412 3.749 20 30 CHEDHN Cc1cccc([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)c1 ZINC000544187260 1123276140 /nfs/dbraw/zinc/27/61/40/1123276140.db2.gz NGKOVYYJCMYOPM-KRWDZBQOSA-N 0 3 294.373 3.995 20 30 CHEDHN CC(C)CCOc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442784466 1123337874 /nfs/dbraw/zinc/33/78/74/1123337874.db2.gz PPZZQCOSLQUVPA-RDJZCZTQSA-N 0 3 286.419 3.893 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000335719381 1123415551 /nfs/dbraw/zinc/41/55/51/1123415551.db2.gz FZQGAHQFPCUZSI-UHFFFAOYSA-N 0 3 264.319 3.750 20 30 CHEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CCCC1(F)F ZINC000895544488 1123490478 /nfs/dbraw/zinc/49/04/78/1123490478.db2.gz JYCRZAHVDGBHJT-LBPRGKRZSA-N 0 3 282.309 3.612 20 30 CHEDHN C=C(C)CN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000053137763 1123526410 /nfs/dbraw/zinc/52/64/10/1123526410.db2.gz XGJBMYYLJCIDNN-UHFFFAOYSA-N 0 3 297.345 3.837 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C)cc2)c1 ZINC000113961455 1123550024 /nfs/dbraw/zinc/55/00/24/1123550024.db2.gz GMKDVRXTYYPZHB-GOSISDBHSA-N 0 3 294.398 3.966 20 30 CHEDHN COc1c(C)cc(CN(C)CCC(C)(C)C#N)cc1C ZINC000157903746 1129135071 /nfs/dbraw/zinc/13/50/71/1129135071.db2.gz DLCGMVSICUZXNT-UHFFFAOYSA-N 0 3 274.408 3.684 20 30 CHEDHN C#Cc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000858239230 1123639029 /nfs/dbraw/zinc/63/90/29/1123639029.db2.gz QNEIDOWNAUTTDY-IBGZPJMESA-N 0 3 276.383 3.694 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000346093461 1123663525 /nfs/dbraw/zinc/66/35/25/1123663525.db2.gz HXXBGLYGXQYNDD-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN C[C@H](N[C@H](c1cccnc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000346201585 1123672326 /nfs/dbraw/zinc/67/23/26/1123672326.db2.gz RBHXKKSJWQIFKL-SGTLLEGYSA-N 0 3 295.361 3.894 20 30 CHEDHN C=C[C@@](C)(O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC001252568595 1123804544 /nfs/dbraw/zinc/80/45/44/1123804544.db2.gz LSISVEAESJUHEJ-TVQRCGJNSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CCc1cc(C[N@H+](CC)CC2CCC2)c([O-])c(OC)c1 ZINC000794688785 1123933212 /nfs/dbraw/zinc/93/32/12/1123933212.db2.gz REHDCDNXMHTACM-UHFFFAOYSA-N 0 3 289.419 3.751 20 30 CHEDHN C=CCc1cc(C[N@@H+](CC)CC2CCC2)c([O-])c(OC)c1 ZINC000794688785 1123933214 /nfs/dbraw/zinc/93/32/14/1123933214.db2.gz REHDCDNXMHTACM-UHFFFAOYSA-N 0 3 289.419 3.751 20 30 CHEDHN C=CCOCCN[C@@H](CC)c1ccccc1OC(F)F ZINC000339070529 1123941278 /nfs/dbraw/zinc/94/12/78/1123941278.db2.gz OWLKWLOTFJRDIH-ZDUSSCGKSA-N 0 3 285.334 3.531 20 30 CHEDHN N#CCCCN[C@@H](CCc1ccccc1)c1ccccn1 ZINC000866337477 1124053585 /nfs/dbraw/zinc/05/35/85/1124053585.db2.gz WSDOFEYPVUUEOK-SFHVURJKSA-N 0 3 279.387 3.649 20 30 CHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(F)c1 ZINC000034992829 1124098095 /nfs/dbraw/zinc/09/80/95/1124098095.db2.gz YWJSRZQSCNZLOQ-CYBMUJFWSA-N 0 3 284.334 3.579 20 30 CHEDHN N#Cc1cccc(CN2CCCC3(CCCC3)C2)c1F ZINC000445852777 1124103640 /nfs/dbraw/zinc/10/36/40/1124103640.db2.gz YBNOLZBFFPWJOW-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN CC(C)(NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000446829262 1124124319 /nfs/dbraw/zinc/12/43/19/1124124319.db2.gz FVRVAXROJYZUGR-UHFFFAOYSA-N 0 3 267.347 3.702 20 30 CHEDHN CN(CCOC1CCCCCC1)Cc1cccc(C#N)c1 ZINC000525420683 1124127978 /nfs/dbraw/zinc/12/79/78/1124127978.db2.gz NRGGMDLCXMNTMY-UHFFFAOYSA-N 0 3 286.419 3.729 20 30 CHEDHN C=C(CC)CN1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447391220 1124470638 /nfs/dbraw/zinc/47/06/38/1124470638.db2.gz JARKYQRYLCJUMJ-MRXNPFEDSA-N 0 3 295.430 3.712 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H](C)COC ZINC000525865227 1124473818 /nfs/dbraw/zinc/47/38/18/1124473818.db2.gz JDBDDRJRWUYQGQ-LLVKDONJSA-N 0 3 273.829 3.672 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000526001097 1124497511 /nfs/dbraw/zinc/49/75/11/1124497511.db2.gz DXQAOKSPFQDWJY-OAHLLOKOSA-N 0 3 298.336 3.826 20 30 CHEDHN C=C(C)COCCNCc1cc2ccccc2cc1OC ZINC000449183301 1124665956 /nfs/dbraw/zinc/66/59/56/1124665956.db2.gz FLTHAFSJCLTSBC-UHFFFAOYSA-N 0 3 285.387 3.531 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000449239998 1124678873 /nfs/dbraw/zinc/67/88/73/1124678873.db2.gz XJDPHCJRWRRSDG-HOCLYGCPSA-N 0 3 284.407 3.619 20 30 CHEDHN CN(Cc1c(O)ccc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000872680452 1124724753 /nfs/dbraw/zinc/72/47/53/1124724753.db2.gz HQIBOAOEEHSXDC-YOEHRIQHSA-N 0 3 280.371 3.669 20 30 CHEDHN CN1CCN(CCCCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000389626708 1124729291 /nfs/dbraw/zinc/72/92/91/1124729291.db2.gz DDXQIBAQUWHFSO-SFHVURJKSA-N 0 3 299.462 3.695 20 30 CHEDHN C=CC(C)(C)CNCc1ncc(C(C)(C)C)s1 ZINC000449486619 1124765359 /nfs/dbraw/zinc/76/53/59/1124765359.db2.gz TWDKNKPQBHMTQR-UHFFFAOYSA-N 0 3 252.427 3.742 20 30 CHEDHN CN1CCc2cc(/C=C/c3ccc(C#N)cc3)ccc2C1 ZINC001239303403 1131312094 /nfs/dbraw/zinc/31/20/94/1131312094.db2.gz QKJNKIXURDREKS-GORDUTHDSA-N 0 3 274.367 3.717 20 30 CHEDHN CCc1cc(OC)ccc1CNCc1ccc(C#N)c(F)c1 ZINC000449736434 1124855850 /nfs/dbraw/zinc/85/58/50/1124855850.db2.gz MJTIUVAZQFDNEQ-UHFFFAOYSA-N 0 3 298.361 3.558 20 30 CHEDHN N#Cc1cnc(Cl)c(CN2CCC[C@@H]2C2CCCC2)c1 ZINC000876632902 1124966676 /nfs/dbraw/zinc/96/66/76/1124966676.db2.gz NWZIDOUZACDGII-OAHLLOKOSA-N 0 3 289.810 3.761 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 ZINC000877520792 1125037791 /nfs/dbraw/zinc/03/77/91/1125037791.db2.gz HYNZVMICQCHECC-KSSFIOAISA-N 0 3 277.371 3.536 20 30 CHEDHN C#C[C@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1 ZINC000877544119 1125041796 /nfs/dbraw/zinc/04/17/96/1125041796.db2.gz METNIIDLKADTNH-SJORKVTESA-N 0 3 287.378 3.581 20 30 CHEDHN C#C[C@@H](N[C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1 ZINC000877544110 1125041822 /nfs/dbraw/zinc/04/18/22/1125041822.db2.gz METNIIDLKADTNH-DLBZAZTESA-N 0 3 287.378 3.581 20 30 CHEDHN C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1[O-] ZINC000877758221 1125074851 /nfs/dbraw/zinc/07/48/51/1125074851.db2.gz NUUSYZAKJGOMLM-AWEZNQCLSA-N 0 3 292.382 3.798 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000878088574 1125118497 /nfs/dbraw/zinc/11/84/97/1125118497.db2.gz SNZFBPNMRUZIHF-GPMSIDNRSA-N 0 3 298.430 3.690 20 30 CHEDHN C#CCCCCCN[C@](C)(CC)c1nccs1 ZINC000878253409 1125135962 /nfs/dbraw/zinc/13/59/62/1125135962.db2.gz BTALKGPUSNRJCU-CQSZACIVSA-N 0 3 250.411 3.552 20 30 CHEDHN CC1(C#N)CCN(C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878389742 1125147497 /nfs/dbraw/zinc/14/74/97/1125147497.db2.gz RUFHRZABECOGPT-IRXDYDNUSA-N 0 3 284.403 3.532 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CCCC1 ZINC000530971295 1125189619 /nfs/dbraw/zinc/18/96/19/1125189619.db2.gz UZLUMNIBSDGTRE-MSOLQXFVSA-N 0 3 268.404 3.948 20 30 CHEDHN C=CCCNC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879158546 1125200060 /nfs/dbraw/zinc/20/00/60/1125200060.db2.gz KKSLLDFUSIHKFO-UHFFFAOYSA-N 0 3 264.756 3.882 20 30 CHEDHN C=C[C@H](C)N[C@@H](CC)c1ccccc1OC(F)F ZINC000358308768 1125206992 /nfs/dbraw/zinc/20/69/92/1125206992.db2.gz ZDWYCDBXTFTISN-JQWIXIFHSA-N 0 3 255.308 3.903 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@](C)(C(F)(F)F)C1 ZINC000880003524 1125243364 /nfs/dbraw/zinc/24/33/64/1125243364.db2.gz IKLXUJOCJCJHFL-FZMZJTMJSA-N 0 3 282.309 3.894 20 30 CHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610539397 1125352494 /nfs/dbraw/zinc/35/24/94/1125352494.db2.gz NUDZXLKURURMPK-CHWSQXEVSA-N 0 3 295.342 3.878 20 30 CHEDHN C=CCCN[C@@H](C)c1ccc(F)cc1Br ZINC000235500261 1125353050 /nfs/dbraw/zinc/35/30/50/1125353050.db2.gz CBUPYBXCHVQNSQ-VIFPVBQESA-N 0 3 272.161 3.815 20 30 CHEDHN CC(C)Oc1cc(Cl)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000883267685 1125389253 /nfs/dbraw/zinc/38/92/53/1125389253.db2.gz NELVJWSXPVJQJS-DOMZBBRYSA-N 0 3 292.810 3.909 20 30 CHEDHN CCN(CC#Cc1ccc(F)cc1)CCc1cccs1 ZINC000532609939 1125426248 /nfs/dbraw/zinc/42/62/48/1125426248.db2.gz CUYQVUOFPYDUBB-UHFFFAOYSA-N 0 3 287.403 3.803 20 30 CHEDHN N#C[C@H]1CCCN(Cc2ccc3occc3c2)CC1 ZINC001138824213 1129352610 /nfs/dbraw/zinc/35/26/10/1129352610.db2.gz DQYASFRJZJLCKR-ZDUSSCGKSA-N 0 3 254.333 3.558 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(F)cc1 ZINC000742368271 1129472525 /nfs/dbraw/zinc/47/25/25/1129472525.db2.gz BODYBGXEBUFVDH-QGZVFWFLSA-N 0 3 298.361 3.947 20 30 CHEDHN COc1ccc(CN[C@@H]2C[C@H](C)c3ccccc32)cc1C#N ZINC000742370316 1129474894 /nfs/dbraw/zinc/47/48/94/1129474894.db2.gz KLHYYZKQOSQCDI-SCLBCKFNSA-N 0 3 292.382 3.905 20 30 CHEDHN CCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000743495396 1129528589 /nfs/dbraw/zinc/52/85/89/1129528589.db2.gz FEGUQMLEXOMVAV-CYBMUJFWSA-N 0 3 296.370 3.513 20 30 CHEDHN CC[C@@H]1C[C@@H](C)CN1Cc1cc(Cl)ccc1OCC#N ZINC000745948682 1129619215 /nfs/dbraw/zinc/61/92/15/1129619215.db2.gz RCNOXWLBWJMLQD-IUODEOHRSA-N 0 3 292.810 3.863 20 30 CHEDHN CC[C@@H]1C[C@H](C)CN1Cc1cc(Cl)ccc1OCC#N ZINC000745948683 1129619297 /nfs/dbraw/zinc/61/92/97/1129619297.db2.gz RCNOXWLBWJMLQD-SWLSCSKDSA-N 0 3 292.810 3.863 20 30 CHEDHN C=CCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649916273 1129687006 /nfs/dbraw/zinc/68/70/06/1129687006.db2.gz UBBVAKHGHKDRJL-ULQDDVLXSA-N 0 3 257.377 3.557 20 30 CHEDHN C=C(Br)CN(C)[C@@H]1CCCC[C@H]1CC ZINC001169331197 1129718027 /nfs/dbraw/zinc/71/80/27/1129718027.db2.gz HMXIMEPEOFUXIA-VXGBXAGGSA-N 0 3 260.219 3.796 20 30 CHEDHN C=CCOCCN[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651758320 1129748055 /nfs/dbraw/zinc/74/80/55/1129748055.db2.gz WSCVMGSXWXPURR-HNNXBMFYSA-N 0 3 282.387 3.602 20 30 CHEDHN C#CCCCN(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000766896333 1129769262 /nfs/dbraw/zinc/76/92/62/1129769262.db2.gz RDUGPVIRCADZED-UHFFFAOYSA-N 0 3 295.430 3.643 20 30 CHEDHN CCCCCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000766930924 1129770060 /nfs/dbraw/zinc/77/00/60/1129770060.db2.gz ATWRGFKALWAVIJ-UHFFFAOYSA-N 0 3 271.408 3.933 20 30 CHEDHN C=CC[C@H](NCc1ccc(C#N)c(C)c1)c1ccncc1 ZINC000767687024 1129807726 /nfs/dbraw/zinc/80/77/26/1129807726.db2.gz BPEPKOFRMZUPIL-SFHVURJKSA-N 0 3 277.371 3.669 20 30 CHEDHN C=CC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccncc1 ZINC000767687023 1129808130 /nfs/dbraw/zinc/80/81/30/1129808130.db2.gz BPEPKOFRMZUPIL-GOSISDBHSA-N 0 3 277.371 3.669 20 30 CHEDHN C#C[C@H](NCc1ccc(SC)s1)C(C)(C)C ZINC000381544758 1129841383 /nfs/dbraw/zinc/84/13/83/1129841383.db2.gz JRZZYLYDFBRRFE-NSHDSACASA-N 0 3 253.436 3.608 20 30 CHEDHN N#CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000769192710 1129892891 /nfs/dbraw/zinc/89/28/91/1129892891.db2.gz WMJBCBODECNMFX-UHFFFAOYSA-N 0 3 292.382 3.795 20 30 CHEDHN C#CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000801514561 1129923453 /nfs/dbraw/zinc/92/34/53/1129923453.db2.gz XLMNSHPSFLQXKG-UHFFFAOYSA-N 0 3 290.338 3.502 20 30 CHEDHN C#CCN[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000769864272 1129926707 /nfs/dbraw/zinc/92/67/07/1129926707.db2.gz JDWORHYSMOHJOV-HNNXBMFYSA-N 0 3 265.356 3.549 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CSC2(C)C)c([O-])c1 ZINC000801646801 1129936063 /nfs/dbraw/zinc/93/60/63/1129936063.db2.gz WGKGBGCWLWXAPL-ZXMBATIKSA-N 0 3 292.448 3.551 20 30 CHEDHN Cc1ccncc1[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000770745075 1129958305 /nfs/dbraw/zinc/95/83/05/1129958305.db2.gz DKCAFZZCAOBCDL-CABCVRRESA-N 0 3 295.386 3.532 20 30 CHEDHN CC[C@H](NCc1ccc(Cl)nc1)c1cccc(C#N)c1 ZINC000902755061 1130052187 /nfs/dbraw/zinc/05/21/87/1130052187.db2.gz KLUANXIASYHRRQ-HNNXBMFYSA-N 0 3 285.778 3.848 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000772600766 1130033880 /nfs/dbraw/zinc/03/38/80/1130033880.db2.gz ZDJOZFDCSPNHRK-KDOFPFPSSA-N 0 3 295.386 3.643 20 30 CHEDHN CC[C@H](NCc1ccccc1COC)c1cccc(C#N)c1 ZINC000902733169 1130047632 /nfs/dbraw/zinc/04/76/32/1130047632.db2.gz OBIFBUZFHJLNRP-IBGZPJMESA-N 0 3 294.398 3.946 20 30 CHEDHN CC[C@H](NCc1ccccc1N(C)C)c1cccc(C#N)c1 ZINC000902870805 1130077192 /nfs/dbraw/zinc/07/71/92/1130077192.db2.gz GYUKSMHNVUVOHX-SFHVURJKSA-N 0 3 293.414 3.865 20 30 CHEDHN CC[C@@H](N[C@H](C)c1cnn(CC)c1)c1cccc(C#N)c1 ZINC000903011409 1130100483 /nfs/dbraw/zinc/10/04/83/1130100483.db2.gz DZSSNXVROXFRBT-CXAGYDPISA-N 0 3 282.391 3.577 20 30 CHEDHN CCC(F)(F)C(C)(C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000903069808 1130107948 /nfs/dbraw/zinc/10/79/48/1130107948.db2.gz JUQRUIBWAALAGF-LLVKDONJSA-N 0 3 281.350 3.675 20 30 CHEDHN CO[C@H](c1ccccc1)[C@H](C)NCc1cc(C#N)ccc1F ZINC000786858002 1130120400 /nfs/dbraw/zinc/12/04/00/1130120400.db2.gz BWMQSJZLZHQTIH-UGSOOPFHSA-N 0 3 298.361 3.563 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000787029967 1130127019 /nfs/dbraw/zinc/12/70/19/1130127019.db2.gz ZKXHKMDKDGLVNO-BDJLRTHQSA-N 0 3 297.789 3.945 20 30 CHEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1C ZINC000746654421 1130134771 /nfs/dbraw/zinc/13/47/71/1130134771.db2.gz IDBGCLDVCNUOAV-LJQANCHMSA-N 0 3 299.389 3.856 20 30 CHEDHN Cc1cc(C)c([C@@H](C)NCc2ccc(C#N)cc2F)c(O)c1 ZINC000788664712 1130201234 /nfs/dbraw/zinc/20/12/34/1130201234.db2.gz JXSQSMVDTZRIQO-CYBMUJFWSA-N 0 3 298.361 3.871 20 30 CHEDHN CC1=C[C@H](C)C[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000789639188 1130267782 /nfs/dbraw/zinc/26/77/82/1130267782.db2.gz ITXBEBQROJFKRQ-ZFWWWQNUSA-N 0 3 280.375 3.771 20 30 CHEDHN C=C(CN[C@@H](C)c1cnc(C)s1)c1ccccc1 ZINC000677754529 1130329589 /nfs/dbraw/zinc/32/95/89/1130329589.db2.gz FLEBEACHSIDBAS-LBPRGKRZSA-N 0 3 258.390 3.816 20 30 CHEDHN N#CC(C(=O)C=Cc1cccnc1)c1nccc2ccccc21 ZINC000792102912 1130428769 /nfs/dbraw/zinc/42/87/69/1130428769.db2.gz KAVKWFUYDMZKKK-OZSKJFCKSA-N 0 3 299.333 3.519 20 30 CHEDHN CCOc1ccc([C@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000678732897 1130448674 /nfs/dbraw/zinc/44/86/74/1130448674.db2.gz GLGVFNAPAKMHJH-HNNXBMFYSA-N 0 3 297.373 3.927 20 30 CHEDHN C#C[C@H](N[C@@H]1CC[C@H]1C1CC1)c1ccc(Cl)cc1 ZINC000811517606 1130615087 /nfs/dbraw/zinc/61/50/87/1130615087.db2.gz XLUFSVMEODUHTB-HRCADAONSA-N 0 3 259.780 3.793 20 30 CHEDHN C#C[C@H](N[C@H]1CCC[C@@H](OC)C1)c1ccc(Cl)cc1 ZINC000811517513 1130615096 /nfs/dbraw/zinc/61/50/96/1130615096.db2.gz UQWCWSLQLQSNJA-XHSDSOJGSA-N 0 3 277.795 3.562 20 30 CHEDHN C=CC[C@@H](CCC)Oc1cccc2c1CCN(C)C2 ZINC001234423416 1130642744 /nfs/dbraw/zinc/64/27/44/1130642744.db2.gz KEHONJIBKSWNGB-HNNXBMFYSA-N 0 3 259.393 3.798 20 30 CHEDHN N#CC(C(=O)C1=CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813212114 1130746768 /nfs/dbraw/zinc/74/67/68/1130746768.db2.gz XTMMEXSYLVLMAV-LBPRGKRZSA-N 0 3 294.276 3.777 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccccc1CC#N ZINC001235530084 1130752804 /nfs/dbraw/zinc/75/28/04/1130752804.db2.gz QEKXVNMDFVCFDG-UHFFFAOYSA-N 0 3 276.383 3.941 20 30 CHEDHN C#CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782524192 1130781594 /nfs/dbraw/zinc/78/15/94/1130781594.db2.gz QENRUDRSQJSUAK-AWEZNQCLSA-N 0 3 260.340 3.509 20 30 CHEDHN N#CCCC[C@H](NCc1ccc(F)nc1)c1ccccc1 ZINC000814304558 1130863244 /nfs/dbraw/zinc/86/32/44/1130863244.db2.gz NVPXSJNVASYPFJ-INIZCTEOSA-N 0 3 283.350 3.745 20 30 CHEDHN C[C@@]1(C#N)CCCN(Cc2c(O)ccc3ccccc32)C1 ZINC000784010847 1130867480 /nfs/dbraw/zinc/86/74/80/1130867480.db2.gz BHUDUZPNZJSJDY-SFHVURJKSA-N 0 3 280.371 3.671 20 30 CHEDHN CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1[O-] ZINC000784265446 1130893863 /nfs/dbraw/zinc/89/38/63/1130893863.db2.gz HZECSQAHTVHCEL-QGZVFWFLSA-N 0 3 280.371 3.699 20 30 CHEDHN Nc1ccc2c(c1)C(=NNCCCc1ccccc1)CCC2 ZINC000814837883 1130921782 /nfs/dbraw/zinc/92/17/82/1130921782.db2.gz PBZANUSPZZLWGO-UHFFFAOYSA-N 0 3 293.414 3.532 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CC(C)(C)C1 ZINC000796708862 1130924819 /nfs/dbraw/zinc/92/48/19/1130924819.db2.gz VYPQNCOSXDDNNY-CYBMUJFWSA-N 0 3 295.386 3.576 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)C1CC1 ZINC000815898206 1131030966 /nfs/dbraw/zinc/03/09/66/1131030966.db2.gz WJDHKKCGUUCONH-CYBMUJFWSA-N 0 3 295.386 3.576 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236989167 1131032892 /nfs/dbraw/zinc/03/28/92/1131032892.db2.gz AEBBNSWBEIKSTA-OAHLLOKOSA-N 0 3 294.373 3.733 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001237001789 1131035185 /nfs/dbraw/zinc/03/51/85/1131035185.db2.gz KJVWJGIZNAHTHH-OAHLLOKOSA-N 0 3 294.373 3.733 20 30 CHEDHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001237050122 1131039395 /nfs/dbraw/zinc/03/93/95/1131039395.db2.gz YPSUZHUZMBOQQS-AWEZNQCLSA-N 0 3 272.392 3.641 20 30 CHEDHN CC(C)c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001237050122 1131039401 /nfs/dbraw/zinc/03/94/01/1131039401.db2.gz YPSUZHUZMBOQQS-AWEZNQCLSA-N 0 3 272.392 3.641 20 30 CHEDHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c([O-])c1 ZINC001237049446 1131039653 /nfs/dbraw/zinc/03/96/53/1131039653.db2.gz PBDDGMBOHDJPEE-CQSZACIVSA-N 0 3 272.392 3.641 20 30 CHEDHN CC(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c([O-])c1 ZINC001237049446 1131039656 /nfs/dbraw/zinc/03/96/56/1131039656.db2.gz PBDDGMBOHDJPEE-CQSZACIVSA-N 0 3 272.392 3.641 20 30 CHEDHN CC(C)(C)Oc1cccc(CN2CCC[C@@H](C#N)CC2)c1 ZINC001237101543 1131048841 /nfs/dbraw/zinc/04/88/41/1131048841.db2.gz DHZATOVSTPWNOF-OAHLLOKOSA-N 0 3 286.419 3.990 20 30 CHEDHN C=CC[N@@H+](Cc1cc([O-])cc(F)c1)C1CCCCC1 ZINC001237285889 1131078799 /nfs/dbraw/zinc/07/87/99/1131078799.db2.gz DPBAZUXJSOUBQF-UHFFFAOYSA-N 0 3 263.356 3.852 20 30 CHEDHN C=CC[N@H+](Cc1cc([O-])cc(F)c1)C1CCCCC1 ZINC001237285889 1131078803 /nfs/dbraw/zinc/07/88/03/1131078803.db2.gz DPBAZUXJSOUBQF-UHFFFAOYSA-N 0 3 263.356 3.852 20 30 CHEDHN C=C(Cl)CN[C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000168837065 1131081259 /nfs/dbraw/zinc/08/12/59/1131081259.db2.gz VAKNEAQFRISTPH-ONGXEEELSA-N 0 3 251.757 3.591 20 30 CHEDHN N#CCC1CCN(Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237546040 1131113020 /nfs/dbraw/zinc/11/30/20/1131113020.db2.gz IIZFIKDQKXWCKW-UHFFFAOYSA-N 0 3 291.398 3.874 20 30 CHEDHN CCCCCCCN(C)Cc1cc(OC)nc(OC)c1 ZINC001237557331 1131115033 /nfs/dbraw/zinc/11/50/33/1131115033.db2.gz CZGBBJYTQPYTPE-UHFFFAOYSA-N 0 3 280.412 3.501 20 30 CHEDHN N#CCOc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC001116466865 1131149035 /nfs/dbraw/zinc/14/90/35/1131149035.db2.gz KVEHMLGZCVURMR-SFHVURJKSA-N 0 3 296.345 3.505 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC001238082834 1131168074 /nfs/dbraw/zinc/16/80/74/1131168074.db2.gz NWFRWBJFVOTTMB-ZIAGYGMSSA-N 0 3 274.795 3.834 20 30 CHEDHN COCC[C@@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC001238085751 1131169810 /nfs/dbraw/zinc/16/98/10/1131169810.db2.gz KYFKFQMLGWQXFP-HNNXBMFYSA-N 0 3 292.810 3.603 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001116912134 1131169815 /nfs/dbraw/zinc/16/98/15/1131169815.db2.gz ZWIFCJYZIYUTBA-NHCYSSNCSA-N 0 3 298.308 3.770 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc2ccccc2n1 ZINC000817714399 1131180990 /nfs/dbraw/zinc/18/09/90/1131180990.db2.gz SHIMMRQRFBUWCL-FZKCQIBNSA-N 0 3 290.366 3.847 20 30 CHEDHN C=C(C)CN(CC)Cc1cnc(OC(C)C)c(C)c1 ZINC001238380742 1131194821 /nfs/dbraw/zinc/19/48/21/1131194821.db2.gz GAIJWZYGEBIWBM-UHFFFAOYSA-N 0 3 262.397 3.575 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000818347215 1131206674 /nfs/dbraw/zinc/20/66/74/1131206674.db2.gz NXWILLOJLHICRX-XUJVJEKNSA-N 0 3 295.810 3.596 20 30 CHEDHN C#CCN(C)Cc1cccc(-c2ccc(F)cc2OC)c1 ZINC001238632932 1131226029 /nfs/dbraw/zinc/22/60/29/1131226029.db2.gz YBFMXQKKICZOLB-UHFFFAOYSA-N 0 3 283.346 3.566 20 30 CHEDHN C#CC[C@@H]1CCCN([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000829773377 1131432434 /nfs/dbraw/zinc/43/24/34/1131432434.db2.gz DOWPIEPKLFAJTF-HUUCEWRRSA-N 0 3 295.386 3.533 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(N2CCCCC2)o1 ZINC001138177127 1131475433 /nfs/dbraw/zinc/47/54/33/1131475433.db2.gz HNWHCYXPCQYHBH-UHFFFAOYSA-N 0 3 262.397 3.668 20 30 CHEDHN N#CC1(CN[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171066346 1131484341 /nfs/dbraw/zinc/48/43/41/1131484341.db2.gz MFQLYUWWRMOFIY-GFCCVEGCSA-N 0 3 295.213 3.744 20 30 CHEDHN Cc1ccc2[nH]c(CN3CCC[C@@H](C#N)CC3)cc2c1 ZINC001138420067 1131502949 /nfs/dbraw/zinc/50/29/49/1131502949.db2.gz MLDYXCBIYSFEHR-CQSZACIVSA-N 0 3 267.376 3.602 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2ccccc2N2CCCCC2)CC1 ZINC001138608653 1131526204 /nfs/dbraw/zinc/52/62/04/1131526204.db2.gz MKQCLECRMUQQIV-QGZVFWFLSA-N 0 3 297.446 3.803 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1[O-] ZINC001138625401 1131528111 /nfs/dbraw/zinc/52/81/11/1131528111.db2.gz KKYHTKQIDVXOJT-CQSZACIVSA-N 0 3 299.336 3.690 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c1[O-] ZINC001138625401 1131528112 /nfs/dbraw/zinc/52/81/12/1131528112.db2.gz KKYHTKQIDVXOJT-CQSZACIVSA-N 0 3 299.336 3.690 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC001138627852 1131528307 /nfs/dbraw/zinc/52/83/07/1131528307.db2.gz HCDCCBSLLDKBOC-RHSMWYFYSA-N 0 3 271.404 3.885 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC001138627852 1131528311 /nfs/dbraw/zinc/52/83/11/1131528311.db2.gz HCDCCBSLLDKBOC-RHSMWYFYSA-N 0 3 271.404 3.885 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccc(OC)cc2)c1[O-] ZINC001138626131 1131528592 /nfs/dbraw/zinc/52/85/92/1131528592.db2.gz AYGRQEMTWKPQIC-UHFFFAOYSA-N 0 3 297.398 3.761 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)Cc2ccc(OC)cc2)c1[O-] ZINC001138626131 1131528595 /nfs/dbraw/zinc/52/85/95/1131528595.db2.gz AYGRQEMTWKPQIC-UHFFFAOYSA-N 0 3 297.398 3.761 20 30 CHEDHN C=CCc1cccc(C[N@H+](CC)Cc2ccccc2O)c1[O-] ZINC001138629537 1131529803 /nfs/dbraw/zinc/52/98/03/1131529803.db2.gz CHNSKONWCVKMKP-UHFFFAOYSA-N 0 3 297.398 3.848 20 30 CHEDHN C=CCc1cccc(C[N@@H+](CC)Cc2ccccc2O)c1[O-] ZINC001138629537 1131529805 /nfs/dbraw/zinc/52/98/05/1131529805.db2.gz CHNSKONWCVKMKP-UHFFFAOYSA-N 0 3 297.398 3.848 20 30 CHEDHN CCCCCCCN(C)Cc1cnc(SCC)nc1 ZINC001138656242 1131532917 /nfs/dbraw/zinc/53/29/17/1131532917.db2.gz ZSHQDMZXJLMMJA-UHFFFAOYSA-N 0 3 281.469 3.991 20 30 CHEDHN C=CCCCCN(C)Cc1cnn(Cc2ccccc2)c1 ZINC001138766867 1131547586 /nfs/dbraw/zinc/54/75/86/1131547586.db2.gz HXFKTGRVMPAYIS-UHFFFAOYSA-N 0 3 283.419 3.720 20 30 CHEDHN CC(C)COc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001138971401 1131567287 /nfs/dbraw/zinc/56/72/87/1131567287.db2.gz KCGOEYJUYWBITG-INIZCTEOSA-N 0 3 286.419 3.847 20 30 CHEDHN CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001138985871 1131568872 /nfs/dbraw/zinc/56/88/72/1131568872.db2.gz NOEJUFISRLBZAG-OSYLJGHBSA-N 0 3 284.403 3.740 20 30 CHEDHN CCCCN(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC001144080056 1131581689 /nfs/dbraw/zinc/58/16/89/1131581689.db2.gz TZZLJHLSFKILDF-UHFFFAOYSA-N 0 3 279.387 3.756 20 30 CHEDHN CCCCCCC[C@@H](C)N1CC[C@](N)(C(F)(F)F)C1 ZINC001246564909 1131627942 /nfs/dbraw/zinc/62/79/42/1131627942.db2.gz ADCODTJUAVQFPK-CHWSQXEVSA-N 0 3 280.378 3.701 20 30 CHEDHN Cc1cc(O)cc(C)c1CN(C)Cc1cccc(C#N)c1 ZINC001139716114 1131632241 /nfs/dbraw/zinc/63/22/41/1131632241.db2.gz QHSMKBXQAKFKJL-UHFFFAOYSA-N 0 3 280.371 3.513 20 30 CHEDHN C[C@H]1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000845447182 1131635427 /nfs/dbraw/zinc/63/54/27/1131635427.db2.gz ZWSRGWIPRDVRNL-AVGNSLFASA-N 0 3 282.343 3.830 20 30 CHEDHN C#Cc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1 ZINC001144573267 1131661317 /nfs/dbraw/zinc/66/13/17/1131661317.db2.gz GFNRJXMKEVQVJV-IBGZPJMESA-N 0 3 276.383 3.790 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CCC(C(F)F)CC3)c2c1 ZINC001140115397 1131665223 /nfs/dbraw/zinc/66/52/23/1131665223.db2.gz ZGWDYXBEXBXFES-UHFFFAOYSA-N 0 3 289.329 3.517 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H]3c3ccccc3)c2c1 ZINC001140115038 1131665707 /nfs/dbraw/zinc/66/57/07/1131665707.db2.gz KOKJZKFXCBSFSQ-LJQANCHMSA-N 0 3 287.366 3.987 20 30 CHEDHN CCCCCCCN(CC)Cc1cnc(SC)nc1N ZINC001140247481 1131680710 /nfs/dbraw/zinc/68/07/10/1131680710.db2.gz BWGJBGXRLPUTOV-UHFFFAOYSA-N 0 3 296.484 3.573 20 30 CHEDHN C=CCOc1ccccc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000846107971 1131686161 /nfs/dbraw/zinc/68/61/61/1131686161.db2.gz MQFZZSBPLYLKTB-INIZCTEOSA-N 0 3 293.357 3.873 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000834902758 1131725282 /nfs/dbraw/zinc/72/52/82/1131725282.db2.gz LAKAQDWDTLSEOT-GOSISDBHSA-N 0 3 277.367 3.671 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2ccccc2N(C)C)c1 ZINC000834903974 1131728293 /nfs/dbraw/zinc/72/82/93/1131728293.db2.gz ULCKPYHYOQULRF-HNNXBMFYSA-N 0 3 278.399 3.585 20 30 CHEDHN CCCN(CCC)Cc1cc(C#N)ccc1Cl ZINC001140599548 1131818663 /nfs/dbraw/zinc/81/86/63/1131818663.db2.gz HPVSYHWELRROQG-UHFFFAOYSA-N 0 3 250.773 3.834 20 30 CHEDHN C=C[C@@H](C)Oc1ccc2ccccc2c1CN(C)C ZINC001228440591 1131885393 /nfs/dbraw/zinc/88/53/93/1131885393.db2.gz FUMVFEUALIJMHH-CYBMUJFWSA-N 0 3 255.361 3.855 20 30 CHEDHN C=CCN(Cc1cc(Br)ccn1)C(C)(C)C ZINC001140767313 1131911136 /nfs/dbraw/zinc/91/11/36/1131911136.db2.gz JSUSNPDHCIQQIP-UHFFFAOYSA-N 0 3 283.213 3.631 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H]3CCC[C@H]32)c1Cl ZINC001140809791 1131933164 /nfs/dbraw/zinc/93/31/64/1131933164.db2.gz HXOGDRFQVIBMIL-IUODEOHRSA-N 0 3 274.795 3.976 20 30 CHEDHN CC(=NN[C@@H]1CCCCC1(C)C)c1ccc(N)cc1C ZINC000773125402 1131951309 /nfs/dbraw/zinc/95/13/09/1131951309.db2.gz LUYXGAIBWFVGMW-MRXNPFEDSA-N 0 3 273.424 3.860 20 30 CHEDHN N#Cc1c(N)sc(CN2CCC3(CCCC3)C2)c1Cl ZINC001141111968 1132021855 /nfs/dbraw/zinc/02/18/55/1132021855.db2.gz KHXKHOICEMOJAF-UHFFFAOYSA-N 0 3 295.839 3.621 20 30 CHEDHN CN1CC[C@H](Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229375252 1132059442 /nfs/dbraw/zinc/05/94/42/1132059442.db2.gz ZTTKWLAYJHMDKJ-KRWDZBQOSA-N 0 3 298.361 3.659 20 30 CHEDHN C[C@@H]1CCN1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141290045 1132071711 /nfs/dbraw/zinc/07/17/11/1132071711.db2.gz ZAXCXOKPUBDWHB-CQSZACIVSA-N 0 3 278.355 3.945 20 30 CHEDHN CCCN(CCC#N)[C@H](C)CCc1ccc(C)cc1 ZINC001171673095 1132075724 /nfs/dbraw/zinc/07/57/24/1132075724.db2.gz FBCYJBRVQPLLGU-MRXNPFEDSA-N 0 3 258.409 3.942 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC001171841754 1132106469 /nfs/dbraw/zinc/10/64/69/1132106469.db2.gz SEKCJVDTCOSTPF-GFCCVEGCSA-N 0 3 251.320 3.753 20 30 CHEDHN C=CCN(Cc1cnc(C(F)(F)F)nc1)C1CCCCC1 ZINC001141468790 1132137187 /nfs/dbraw/zinc/13/71/87/1132137187.db2.gz YICAQHITAUINAC-UHFFFAOYSA-N 0 3 299.340 3.816 20 30 CHEDHN C=CCN(C)Cc1ccc(OC)c(OC2CCCC2)c1 ZINC001141521123 1132147502 /nfs/dbraw/zinc/14/75/02/1132147502.db2.gz OPIYOLHYMICUQF-UHFFFAOYSA-N 0 3 275.392 3.634 20 30 CHEDHN C=CC(C)(C)CC(=O)Nc1cnccc1NC(CC)CC ZINC001141520772 1132147635 /nfs/dbraw/zinc/14/76/35/1132147635.db2.gz ZSTWTWWKGRNLHA-UHFFFAOYSA-N 0 3 289.423 3.645 20 30 CHEDHN C[C@@H](Cc1ccc(C#N)cc1)N(CCC#N)C1CCCC1 ZINC001172308822 1132154053 /nfs/dbraw/zinc/15/40/53/1132154053.db2.gz ZZKGTRIKAWBUNX-HNNXBMFYSA-N 0 3 281.403 3.648 20 30 CHEDHN N#CC1(CCN2CC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000839533154 1132221798 /nfs/dbraw/zinc/22/17/98/1132221798.db2.gz FVFRHCSRCNZVNX-LBPRGKRZSA-N 0 3 274.330 3.735 20 30 CHEDHN C[C@H](CCCC#N)N1CCN(c2cccc(Cl)c2)CC1 ZINC001172496948 1132247930 /nfs/dbraw/zinc/24/79/30/1132247930.db2.gz VAWAVVWGZLHUIH-CQSZACIVSA-N 0 3 291.826 3.544 20 30 CHEDHN N#C[C@H]1CCCN([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172552421 1132264329 /nfs/dbraw/zinc/26/43/29/1132264329.db2.gz LIDZTBJUMRFHBY-NXHRZFHOSA-N 0 3 268.404 3.948 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172535687 1132274615 /nfs/dbraw/zinc/27/46/15/1132274615.db2.gz IEMXBYRSUFHAHW-BRWVUGGUSA-N 0 3 256.393 3.995 20 30 CHEDHN C#Cc1cccc(CN2CCc3c(C)cccc3C2)c1 ZINC001231657845 1132336484 /nfs/dbraw/zinc/33/64/84/1132336484.db2.gz NGDKRUZHWGROKX-UHFFFAOYSA-N 0 3 261.368 3.535 20 30 CHEDHN Cc1nc(F)ccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000841893296 1132402050 /nfs/dbraw/zinc/40/20/50/1132402050.db2.gz CRHGTHXQQCYOJE-QGZVFWFLSA-N 0 3 295.361 3.568 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc(C(=O)OC)[nH]1 ZINC001232076834 1132419243 /nfs/dbraw/zinc/41/92/43/1132419243.db2.gz PSVJMURJGRLSJZ-UHFFFAOYSA-N 0 3 280.412 3.594 20 30 CHEDHN CCc1ccc(C[C@@H](C)NC2(CC#N)CCCC2)cc1 ZINC001173251936 1132421291 /nfs/dbraw/zinc/42/12/91/1132421291.db2.gz FVWSIDZOLWVIGZ-OAHLLOKOSA-N 0 3 270.420 3.996 20 30 CHEDHN CN(Cc1ccccc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232111001 1132423279 /nfs/dbraw/zinc/42/32/79/1132423279.db2.gz YTDKUKCCVTUOMU-UHFFFAOYSA-N 0 3 270.763 3.844 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001232112723 1132423891 /nfs/dbraw/zinc/42/38/91/1132423891.db2.gz JIOUOUOCHNTSNY-ZFWWWQNUSA-N 0 3 274.795 3.834 20 30 CHEDHN C[C@@H]1CCCN(Cc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC001232120069 1132425876 /nfs/dbraw/zinc/42/58/76/1132425876.db2.gz LVTYBRCNEVESHQ-NEPJUHHUSA-N 0 3 262.784 3.832 20 30 CHEDHN CC[C@@H]1CCCC[C@H]1C=Nn1cnnc1-c1ccccc1 ZINC000842524344 1132436774 /nfs/dbraw/zinc/43/67/74/1132436774.db2.gz ADNPIIAGGDNKAN-ZBFHGGJFSA-N 0 3 282.391 3.995 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cc(C)ccc2OC(C)C)C1 ZINC001232399090 1132466960 /nfs/dbraw/zinc/46/69/60/1132466960.db2.gz SGWFHGPKLIRHNT-MRXNPFEDSA-N 0 3 271.404 3.627 20 30 CHEDHN C=CCOC1CCC(N2CCC[C@H]2c2cc(C)on2)CC1 ZINC001173319333 1132477573 /nfs/dbraw/zinc/47/75/73/1132477573.db2.gz FYLUHLOKGBZAMX-DQPZFDDXSA-N 0 3 290.407 3.634 20 30 CHEDHN C=CCN(CC=C)Cc1cccc(C(C)(C)C)c1O ZINC001143110523 1132504015 /nfs/dbraw/zinc/50/40/15/1132504015.db2.gz IBASOIHEUFTEBV-UHFFFAOYSA-N 0 3 259.393 3.864 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(C(F)(F)F)c(OC)c2)C1 ZINC001143349717 1132537851 /nfs/dbraw/zinc/53/78/51/1132537851.db2.gz QCWBKBLSFZNFMB-LBPRGKRZSA-N 0 3 297.320 3.559 20 30 CHEDHN CC(C)CN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC001232921695 1132541319 /nfs/dbraw/zinc/54/13/19/1132541319.db2.gz CRSAQQZMIUFBCH-UHFFFAOYSA-N 0 3 279.387 3.611 20 30 CHEDHN C=CCN(Cc1cc(C)c(Br)cn1)C(C)(C)C ZINC001232907271 1132541795 /nfs/dbraw/zinc/54/17/95/1132541795.db2.gz MCGHWCPKHOXKBK-UHFFFAOYSA-N 0 3 297.240 3.939 20 30 CHEDHN CCCCCCN1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233081172 1132569816 /nfs/dbraw/zinc/56/98/16/1132569816.db2.gz RVAKVRBXFQORTR-UHFFFAOYSA-N 0 3 299.462 3.565 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)CCC(=O)c1ccccc1 ZINC001233083014 1132571453 /nfs/dbraw/zinc/57/14/53/1132571453.db2.gz OWNTXGRMLSDGRT-UHFFFAOYSA-N 0 3 292.382 3.572 20 30 CHEDHN Cc1cc(C)c(Nc2ccccc2CN(C)C)cc1C#N ZINC001173931520 1132644765 /nfs/dbraw/zinc/64/47/65/1132644765.db2.gz KTAZZZZCRCKDRJ-UHFFFAOYSA-N 0 3 279.387 3.980 20 30 CHEDHN N#Cc1ccc(N=C2CCCN(Cc3ccccc3)C2)s1 ZINC001174394345 1132811353 /nfs/dbraw/zinc/81/13/53/1132811353.db2.gz GTNKGMCNMHPCRD-UHFFFAOYSA-N 0 3 295.411 3.821 20 30 CHEDHN Cc1cc2cc(NCC3(C#N)CCC3)ccc2cn1 ZINC001162416792 1133077310 /nfs/dbraw/zinc/07/73/10/1133077310.db2.gz ISFBYVKUQCYIDV-UHFFFAOYSA-N 0 3 251.333 3.649 20 30 CHEDHN C#CC1(NCc2ccc(F)c(C(F)(F)F)c2)CCCC1 ZINC001203470331 1133331435 /nfs/dbraw/zinc/33/14/35/1133331435.db2.gz FIGUEWNHJIKWDH-UHFFFAOYSA-N 0 3 285.284 3.880 20 30 CHEDHN Cc1ccccc1O[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001203903376 1133383063 /nfs/dbraw/zinc/38/30/63/1133383063.db2.gz CWDLEPIDBKDBHG-GOSISDBHSA-N 0 3 292.382 3.520 20 30 CHEDHN O=C1C=C2CN(Cc3ccc4ccccc4c3)CCC2S1 ZINC001203998331 1133396818 /nfs/dbraw/zinc/39/68/18/1133396818.db2.gz IDDHIJHAZNYNFY-QGZVFWFLSA-N 0 3 295.407 3.614 20 30 CHEDHN CCS[C@H]1CCCCN(Cc2csc(C#N)c2)C1 ZINC001204230307 1133423272 /nfs/dbraw/zinc/42/32/72/1133423272.db2.gz YNKUBHWVTTYUDO-ZDUSSCGKSA-N 0 3 280.462 3.727 20 30 CHEDHN C#CCN(Cc1cc(F)cc(OCC)c1)C1CCCCC1 ZINC001204498286 1133453560 /nfs/dbraw/zinc/45/35/60/1133453560.db2.gz YMWIHCRBYDJGHI-UHFFFAOYSA-N 0 3 289.394 3.992 20 30 CHEDHN CN(C/C=C/c1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC001204728978 1133479673 /nfs/dbraw/zinc/47/96/73/1133479673.db2.gz JAQYXZVTGVJBKR-HWKANZROSA-N 0 3 280.346 3.843 20 30 CHEDHN N#Cc1cc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)ccc1F ZINC001205496734 1133582816 /nfs/dbraw/zinc/58/28/16/1133582816.db2.gz OWSDYIMXNYCVLZ-IYBDPMFKSA-N 0 3 292.357 3.784 20 30 CHEDHN C=CCCCCCCNCc1cccc(F)c1C#N ZINC001205736688 1133608054 /nfs/dbraw/zinc/60/80/54/1133608054.db2.gz XERUUPQVEVVBOF-UHFFFAOYSA-N 0 3 260.356 3.923 20 30 CHEDHN N#CCCN(CCCc1ccc(F)cc1)C1CCCC1 ZINC001208772706 1133943228 /nfs/dbraw/zinc/94/32/28/1133943228.db2.gz HBTJNUOIIVDOHI-UHFFFAOYSA-N 0 3 274.383 3.917 20 30 CHEDHN C=CCCCCCN1CCc2ccc(C(=O)OC)cc2C1 ZINC001209428308 1134017093 /nfs/dbraw/zinc/01/70/93/1134017093.db2.gz DPEJJFRHRQUJMS-UHFFFAOYSA-N 0 3 287.403 3.578 20 30 CHEDHN C=CCCCCCN1CCOC[C@H]1Cc1ccccc1 ZINC001209433390 1134018939 /nfs/dbraw/zinc/01/89/39/1134018939.db2.gz VIQXVZSVVBPYLA-GOSISDBHSA-N 0 3 273.420 3.676 20 30 CHEDHN Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)[nH]1 ZINC001209578153 1134039320 /nfs/dbraw/zinc/03/93/20/1134039320.db2.gz HMKSIVZWWPSJJL-UHFFFAOYSA-N 0 3 279.387 3.574 20 30 CHEDHN CC#Cc1cncc(Nc2ccnc(C3CCC3)c2)c1 ZINC001211055804 1134357943 /nfs/dbraw/zinc/35/79/43/1134357943.db2.gz DGAADXMNVYBBMK-UHFFFAOYSA-N 0 3 263.344 3.859 20 30 CHEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(C)cc2C)no1 ZINC001211436836 1134416755 /nfs/dbraw/zinc/41/67/55/1134416755.db2.gz ZTHCQBFIQBSXHG-UHFFFAOYSA-N 0 3 297.402 3.853 20 30 CHEDHN Cc1nc2ccc(Nc3ccc(F)cc3C#N)cc2[nH]1 ZINC001213075182 1134423630 /nfs/dbraw/zinc/42/36/30/1134423630.db2.gz HWROTNQRISNVAC-UHFFFAOYSA-N 0 3 266.279 3.626 20 30 CHEDHN CC(C)(C)c1cc(Nc2ccc(O)cc2C#N)ccn1 ZINC001213168252 1134434082 /nfs/dbraw/zinc/43/40/82/1134434082.db2.gz BEHXIIBCQIPYPP-UHFFFAOYSA-N 0 3 267.332 3.700 20 30 CHEDHN CCCCCCC[C@@H](CCC)OC[C@@H]1CNCCO1 ZINC001217896079 1135020268 /nfs/dbraw/zinc/02/02/68/1135020268.db2.gz HPUQEMZOGNRMSQ-CVEARBPZSA-N 0 3 271.445 3.521 20 30 CHEDHN C=C[C@]1(C)CC[C@@H](Oc2cccc3c2CNC3)C(C)(C)O1 ZINC001218354702 1135093714 /nfs/dbraw/zinc/09/37/14/1135093714.db2.gz IFTCWDZEAHTYNR-SJLPKXTDSA-N 0 3 287.403 3.571 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)NC(C)(C)CC(C)(C)C ZINC001220286162 1135149624 /nfs/dbraw/zinc/14/96/24/1135149624.db2.gz AGOMEIPGLUFCJR-AWEZNQCLSA-N 0 3 282.472 3.781 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)NC1(CC)CCCCC1 ZINC001220337309 1135150486 /nfs/dbraw/zinc/15/04/86/1135150486.db2.gz OWIJFAGZRJBDEJ-HNNXBMFYSA-N 0 3 280.456 3.679 20 30 CHEDHN CCCCCCCCCCNC(=O)N[C@H]1CCCN(C)C1 ZINC001221293374 1135172836 /nfs/dbraw/zinc/17/28/36/1135172836.db2.gz FKWGHSHQSXAKND-INIZCTEOSA-N 0 3 297.487 3.521 20 30 CHEDHN C=CCn1cc(-c2ccc(CN(CC)CC)c(F)c2)cn1 ZINC001222409386 1135238777 /nfs/dbraw/zinc/23/87/77/1135238777.db2.gz YBGNYILOCGTJPY-UHFFFAOYSA-N 0 3 287.382 3.717 20 30 CHEDHN C=CCCCCO[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001224334851 1135441116 /nfs/dbraw/zinc/44/11/16/1135441116.db2.gz GQERFBBHUONABL-HZPDHXFCSA-N 0 3 274.408 3.590 20 30 CHEDHN CCCCCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224579463 1135460666 /nfs/dbraw/zinc/46/06/66/1135460666.db2.gz CCWPPUOMZCPNOK-JQHSSLGASA-N 0 3 295.467 3.948 20 30 CHEDHN CCc1cnccc1[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353264203 529682046 /nfs/dbraw/zinc/68/20/46/529682046.db2.gz XKXKJPNRAFSRGU-DJJJIMSYSA-N 0 3 291.398 3.854 20 30 CHEDHN C=CCN(CC1CCCCC1)[C@H](C)c1cnccn1 ZINC000299268801 260178160 /nfs/dbraw/zinc/17/81/60/260178160.db2.gz LYAMQIZIVQVFAQ-CQSZACIVSA-N 0 3 259.397 3.606 20 30 CHEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000108356518 186213799 /nfs/dbraw/zinc/21/37/99/186213799.db2.gz QQUPXDHOEASVOR-DOMZBBRYSA-N 0 3 267.800 3.660 20 30 CHEDHN C=CCC(C)(C)CNCc1nc2ccc(OC)cc2s1 ZINC000574469341 335022463 /nfs/dbraw/zinc/02/24/63/335022463.db2.gz XTDIDCXAXMPFNY-UHFFFAOYSA-N 0 3 290.432 3.997 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000576715669 335239285 /nfs/dbraw/zinc/23/92/85/335239285.db2.gz NNFGPWOTDHRWMC-UHFFFAOYSA-N 0 3 282.334 3.780 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccc(C#N)cc1 ZINC000036991912 260061435 /nfs/dbraw/zinc/06/14/35/260061435.db2.gz BSDDYYPQBSZWQR-OLZOCXBDSA-N 0 3 266.344 3.676 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1c1ccccc1 ZINC000347303863 533496574 /nfs/dbraw/zinc/49/65/74/533496574.db2.gz IYAGWEBRAOGHSK-SFHVURJKSA-N 0 3 292.382 3.904 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1 ZINC000341752867 130022369 /nfs/dbraw/zinc/02/23/69/130022369.db2.gz YZDNBNSRPMQVMC-SFHVURJKSA-N 0 3 262.356 3.725 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(C#N)cc1 ZINC000020129736 171018257 /nfs/dbraw/zinc/01/82/57/171018257.db2.gz ZOCIJOHTHNQSJU-FZKQIMNGSA-N 0 3 262.356 3.896 20 30 CHEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000020147901 171035455 /nfs/dbraw/zinc/03/54/55/171035455.db2.gz UYFSRJJGHGEPRG-LBPRGKRZSA-N 0 3 254.308 3.548 20 30 CHEDHN N#Cc1ccccc1NC1CCN(Cc2ccccc2)CC1 ZINC000020828303 171274899 /nfs/dbraw/zinc/27/48/99/171274899.db2.gz PIHPKHRKNRENNQ-UHFFFAOYSA-N 0 3 291.398 3.635 20 30 CHEDHN N#Cc1ccccc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035163410 172024971 /nfs/dbraw/zinc/02/49/71/172024971.db2.gz FSIMXDFYCROOJS-GOEBONIOSA-N 0 3 254.377 3.570 20 30 CHEDHN Cc1ccsc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000035256375 172086427 /nfs/dbraw/zinc/08/64/27/172086427.db2.gz RRPOJCPDOYYMLI-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@H](NCc1cccs1)c1ccc(OCC#N)cc1 ZINC000037231930 173051573 /nfs/dbraw/zinc/05/15/73/173051573.db2.gz YYFMWJVQVYWGKL-LBPRGKRZSA-N 0 3 272.373 3.501 20 30 CHEDHN COc1ccc(Oc2ccc(CNCCCC#N)cc2)cc1 ZINC000344362381 225042983 /nfs/dbraw/zinc/04/29/83/225042983.db2.gz SELHBJVNFCAOPM-UHFFFAOYSA-N 0 3 296.370 3.881 20 30 CHEDHN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1ccc(C#N)cc1 ZINC000344321704 225046200 /nfs/dbraw/zinc/04/62/00/225046200.db2.gz JPNRRXMXNXJUPH-SCLBCKFNSA-N 0 3 277.371 3.755 20 30 CHEDHN CC(C#N)C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000334961474 225376777 /nfs/dbraw/zinc/37/67/77/225376777.db2.gz GVWGUXWVVWMREE-CQSZACIVSA-N 0 3 290.366 3.615 20 30 CHEDHN Cc1ncsc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000350627803 227044605 /nfs/dbraw/zinc/04/46/05/227044605.db2.gz GFJCECABPDJHAS-UHFFFAOYSA-N 0 3 299.443 3.981 20 30 CHEDHN Cc1cc(N2CCC(CC#N)CC2)c2ccccc2n1 ZINC000336506294 227077223 /nfs/dbraw/zinc/07/72/23/227077223.db2.gz BRKDGFWQDXRUMI-UHFFFAOYSA-N 0 3 265.360 3.673 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccs1 ZINC000336615935 227183624 /nfs/dbraw/zinc/18/36/24/227183624.db2.gz XPCAWQZVDPZKOV-INIZCTEOSA-N 0 3 268.385 3.787 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000352843730 227318177 /nfs/dbraw/zinc/31/81/77/227318177.db2.gz CJBJXUYEYYNZPM-LSDHHAIUSA-N 0 3 297.427 3.516 20 30 CHEDHN CSCc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000353096696 228058493 /nfs/dbraw/zinc/05/84/93/228058493.db2.gz ZPGWRCHDGHXYAJ-UHFFFAOYSA-N 0 3 282.412 3.711 20 30 CHEDHN COCc1ccccc1/C=C(/C)CNCC1(CC#N)CC1 ZINC000353293177 228081129 /nfs/dbraw/zinc/08/11/29/228081129.db2.gz ZSBDJTZLZWJWII-PTNGSMBKSA-N 0 3 284.403 3.520 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1 ZINC000335953484 228169281 /nfs/dbraw/zinc/16/92/81/228169281.db2.gz SEWJUUZMJGBBCQ-YJYMSZOUSA-N 0 3 292.382 3.992 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000335954147 228169643 /nfs/dbraw/zinc/16/96/43/228169643.db2.gz UWOONCYMQAYPSI-ACJLOTCBSA-N 0 3 277.371 3.681 20 30 CHEDHN C[C@H]1C[C@H](c2cccnc2)N(Cc2cccc(C#N)c2)C1 ZINC000336146692 228197516 /nfs/dbraw/zinc/19/75/16/228197516.db2.gz PILBDDHZGHACTI-KBXCAEBGSA-N 0 3 277.371 3.536 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCCc3c(F)cccc32)c1 ZINC000336213181 228214977 /nfs/dbraw/zinc/21/49/77/228214977.db2.gz KBBPZIBXYQLXEZ-MRXNPFEDSA-N 0 3 286.375 3.926 20 30 CHEDHN C[C@H](NCc1cccc2[nH]ccc21)c1ccc(C#N)cc1 ZINC000070939083 260158742 /nfs/dbraw/zinc/15/87/42/260158742.db2.gz CVVDQBATRUNBFY-ZDUSSCGKSA-N 0 3 275.355 3.890 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079720629 260177187 /nfs/dbraw/zinc/17/71/87/260177187.db2.gz IIBYVIJKXSYFDR-QGZVFWFLSA-N 0 3 295.342 3.707 20 30 CHEDHN C=C(CC)CNCc1ccc(OC)c(Br)c1 ZINC000313506521 260299802 /nfs/dbraw/zinc/29/98/02/260299802.db2.gz SAIZIZVIEOENQJ-UHFFFAOYSA-N 0 3 284.197 3.514 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000090451211 260359381 /nfs/dbraw/zinc/35/93/81/260359381.db2.gz FKWTXTIOBYUPOV-LBPRGKRZSA-N 0 3 287.325 3.949 20 30 CHEDHN Cc1cccc(C)c1OC[C@@H](C)NCc1cccc(C#N)c1 ZINC000518275464 260367304 /nfs/dbraw/zinc/36/73/04/260367304.db2.gz HMKOEUNHVXNDAC-MRXNPFEDSA-N 0 3 294.398 3.732 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000128374329 260374081 /nfs/dbraw/zinc/37/40/81/260374081.db2.gz NEAVDMOBGFNNES-VIFPVBQESA-N 0 3 257.164 3.948 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(Cl)c2cccnc12 ZINC000181270288 260576496 /nfs/dbraw/zinc/57/64/96/260576496.db2.gz KZKUAKIIASVERD-UHFFFAOYSA-N 0 3 260.768 3.896 20 30 CHEDHN C=CC[C@@H]1N(Cc2ccc(C(=O)OC)o2)CCCC1(C)C ZINC000444787803 261179085 /nfs/dbraw/zinc/17/90/85/261179085.db2.gz SHRVMIOGSWFWGP-HNNXBMFYSA-N 0 3 291.391 3.633 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(Cl)c2)n1 ZINC000103329118 261280636 /nfs/dbraw/zinc/28/06/36/261280636.db2.gz WDMPEIRVQJTRGG-LLVKDONJSA-N 0 3 290.775 3.903 20 30 CHEDHN N#Cc1ccc(CNC2CC(c3ccccc3)C2)c(F)c1 ZINC000162532008 261284916 /nfs/dbraw/zinc/28/49/16/261284916.db2.gz AZUFONBBOVWKIC-UHFFFAOYSA-N 0 3 280.346 3.733 20 30 CHEDHN C[C@H](CNc1cccc(F)c1C#N)N(C)Cc1ccccc1 ZINC000301273000 261330949 /nfs/dbraw/zinc/33/09/49/261330949.db2.gz RFFIPVWSTLNGCE-CQSZACIVSA-N 0 3 297.377 3.630 20 30 CHEDHN CC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(OC)cc1 ZINC000181810770 261435214 /nfs/dbraw/zinc/43/52/14/261435214.db2.gz DOBWKOJXGUBLJY-GOSISDBHSA-N 0 3 298.361 3.947 20 30 CHEDHN C=C(C)CN(C)Cc1cc(C)c(Br)s1 ZINC000497147624 261566253 /nfs/dbraw/zinc/56/62/53/261566253.db2.gz OQDZRWVQRUCZKO-UHFFFAOYSA-N 0 3 274.227 3.827 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OC3CCCC3)nc2)C1 ZINC000185784592 262070724 /nfs/dbraw/zinc/07/07/24/262070724.db2.gz FXMSMHDFINUJOB-GDBMZVCRSA-N 0 3 299.418 3.575 20 30 CHEDHN CCCOCc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185785106 262070762 /nfs/dbraw/zinc/07/07/62/262070762.db2.gz GWDPPMKCGFFQDD-MAUKXSAKSA-N 0 3 286.419 3.785 20 30 CHEDHN CCCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185783770 262070808 /nfs/dbraw/zinc/07/08/08/262070808.db2.gz NWJVLDIKEJPENJ-CVEARBPZSA-N 0 3 272.392 3.647 20 30 CHEDHN COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000194254995 262235292 /nfs/dbraw/zinc/23/52/92/262235292.db2.gz MPYOABQGSQPGLO-MAZHCROVSA-N 0 3 292.810 3.699 20 30 CHEDHN N#CCCCN[C@H](c1cccnc1)C1CCCCC1 ZINC000364566577 262254261 /nfs/dbraw/zinc/25/42/61/262254261.db2.gz WLNRQVXKAPMPBS-INIZCTEOSA-N 0 3 257.381 3.596 20 30 CHEDHN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCCSCC#N ZINC000354827167 262299025 /nfs/dbraw/zinc/29/90/25/262299025.db2.gz GNLNBFZSUDDDFZ-STQMWFEESA-N 0 3 292.423 3.780 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1CS[C@@H](C(C)C)C1 ZINC000488424702 262318348 /nfs/dbraw/zinc/31/83/48/262318348.db2.gz DLFQFOTXADLYLM-DOTOQJQBSA-N 0 3 291.460 3.871 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@H](c2ccccc2F)C1 ZINC000271998967 263001013 /nfs/dbraw/zinc/00/10/13/263001013.db2.gz GWVIAJLGFYBKEF-ZDUSSCGKSA-N 0 3 260.356 3.555 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc3ccccc3c2)CC1 ZINC000272480587 263005080 /nfs/dbraw/zinc/00/50/80/263005080.db2.gz AXLFXMDDJGMFLE-UHFFFAOYSA-N 0 3 264.372 3.965 20 30 CHEDHN N#CCCCNCc1cc(-c2ccccc2)cs1 ZINC000273010320 263010837 /nfs/dbraw/zinc/01/08/37/263010837.db2.gz BYRMUFQVEKTBIA-UHFFFAOYSA-N 0 3 256.374 3.808 20 30 CHEDHN COc1cc(-c2ccccc2)ccc1CNCCCC#N ZINC000273061910 263012112 /nfs/dbraw/zinc/01/21/12/263012112.db2.gz MMOHAHSJUDIFLD-UHFFFAOYSA-N 0 3 280.371 3.756 20 30 CHEDHN CCOc1ccc(Cl)cc1[C@H](C)NCCCC#N ZINC000273300165 263014805 /nfs/dbraw/zinc/01/48/05/263014805.db2.gz URLFOZZGZUSRDL-NSHDSACASA-N 0 3 266.772 3.693 20 30 CHEDHN C[C@H](CCC#N)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000276273887 263035619 /nfs/dbraw/zinc/03/56/19/263035619.db2.gz DMYMAJFMMPRSBG-MLGOLLRUSA-N 0 3 260.356 3.949 20 30 CHEDHN COC1(C[C@H](C)N[C@@H](CCC#N)c2ccccc2)CCC1 ZINC000277176554 263039890 /nfs/dbraw/zinc/03/98/90/263039890.db2.gz SOGFXFMZKCBXBA-RDJZCZTQSA-N 0 3 286.419 3.969 20 30 CHEDHN N#CC1CCC(CNCc2ccc(Cl)cc2F)CC1 ZINC000281810547 263072170 /nfs/dbraw/zinc/07/21/70/263072170.db2.gz VZXNVJNNUBVQLM-UHFFFAOYSA-N 0 3 280.774 3.899 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc2ccccc2o1 ZINC000282335178 263075857 /nfs/dbraw/zinc/07/58/57/263075857.db2.gz OKPWAGVGGRQWBK-YRGRVCCFSA-N 0 3 254.333 3.776 20 30 CHEDHN C[C@H](NCC1CCC(C#N)CC1)c1ccc(Cl)cn1 ZINC000282322610 263075860 /nfs/dbraw/zinc/07/58/60/263075860.db2.gz NSNRFKNARXOGLQ-HIFPTAJRSA-N 0 3 277.799 3.716 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000282352819 263076126 /nfs/dbraw/zinc/07/61/26/263076126.db2.gz PKQMAUXZQOSQBI-SUNKGSAMSA-N 0 3 293.208 3.792 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000282354947 263076195 /nfs/dbraw/zinc/07/61/95/263076195.db2.gz PKQMAUXZQOSQBI-WDMOLILDSA-N 0 3 293.208 3.792 20 30 CHEDHN N#CCC[C@H](N[C@H]1CCC12CCC2)c1ccccc1 ZINC000282406348 263076440 /nfs/dbraw/zinc/07/64/40/263076440.db2.gz YBICAUVZMJPIJY-HOTGVXAUSA-N 0 3 254.377 3.954 20 30 CHEDHN CSCc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000285567761 263094310 /nfs/dbraw/zinc/09/43/10/263094310.db2.gz GKGNGEVDQUUALX-HOTGVXAUSA-N 0 3 274.433 3.722 20 30 CHEDHN CCCCCCCCCCN[C@H](C)c1ccc(=O)[nH]n1 ZINC000286239764 263097745 /nfs/dbraw/zinc/09/77/45/263097745.db2.gz TXGCBGCAFCXVDI-CQSZACIVSA-N 0 3 279.428 3.561 20 30 CHEDHN COc1ccc2c(c1)C1(CC1)CN(CC(C)(C)CCC#N)C2 ZINC000290366072 263116357 /nfs/dbraw/zinc/11/63/57/263116357.db2.gz AGJVPQBVXSWHMF-UHFFFAOYSA-N 0 3 298.430 3.872 20 30 CHEDHN C=CCC[C@@H](CC)N[C@H](C)c1ncc(Br)cn1 ZINC000340432220 263143626 /nfs/dbraw/zinc/14/36/26/263143626.db2.gz LRMOMRBOSPQZJB-ZYHUDNBSSA-N 0 3 298.228 3.635 20 30 CHEDHN CCn1cc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cn1 ZINC000340456135 263157936 /nfs/dbraw/zinc/15/79/36/263157936.db2.gz UZKGDPRCBOORRY-MAUKXSAKSA-N 0 3 296.418 3.989 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1cc(F)cnc1Cl ZINC000295103185 263172404 /nfs/dbraw/zinc/17/24/04/263172404.db2.gz KQOYJATVGQVCNH-VHSXEESVSA-N 0 3 256.752 3.564 20 30 CHEDHN CCc1ccc2nccc(N3CCC(C)(C#N)CC3)c2c1 ZINC000294878995 263168690 /nfs/dbraw/zinc/16/86/90/263168690.db2.gz FKUJWQXEPFFPAO-UHFFFAOYSA-N 0 3 279.387 3.927 20 30 CHEDHN CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1[O-] ZINC000294918474 263169561 /nfs/dbraw/zinc/16/95/61/263169561.db2.gz ARGUOGMDTNBDQX-KCQAQPDRSA-N 0 3 258.365 3.515 20 30 CHEDHN N#CC[C@@H]1CC[C@H](Nc2ccnc3ccccc32)C1 ZINC000294988659 263170534 /nfs/dbraw/zinc/17/05/34/263170534.db2.gz MWAYACKPSHZPST-STQMWFEESA-N 0 3 251.333 3.729 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCc3sc(Cl)cc32)C1 ZINC000353576036 263182891 /nfs/dbraw/zinc/18/28/91/263182891.db2.gz MJZCNEGBNWKEBS-WCABBAIRSA-N 0 3 266.797 3.671 20 30 CHEDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c([O-])c1C ZINC000296439005 263191603 /nfs/dbraw/zinc/19/16/03/263191603.db2.gz MEJACNYYGMLUBC-KKUMJFAQSA-N 0 3 272.392 3.742 20 30 CHEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccsc1 ZINC000296672047 263195322 /nfs/dbraw/zinc/19/53/22/263195322.db2.gz FXMJBMYMCBHNBY-INIZCTEOSA-N 0 3 286.400 3.891 20 30 CHEDHN C[C@H](CCC#N)N1CC=C(c2ccc(F)cc2)CC1 ZINC000297811256 263210002 /nfs/dbraw/zinc/21/00/02/263210002.db2.gz IMMBUYLQGGBEDO-CYBMUJFWSA-N 0 3 258.340 3.607 20 30 CHEDHN C[C@H](CCC#N)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000298130558 263215273 /nfs/dbraw/zinc/21/52/73/263215273.db2.gz KUELSXXOMHUUOI-LZQZEXGQSA-N 0 3 294.398 3.743 20 30 CHEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000298869905 263227363 /nfs/dbraw/zinc/22/73/63/263227363.db2.gz JMESKZBZKOUIIK-CHWSQXEVSA-N 0 3 290.382 3.957 20 30 CHEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccccc1OC(F)F ZINC000299696331 263252328 /nfs/dbraw/zinc/25/23/28/263252328.db2.gz OKRPTLPPHHLCRM-WDEREUQCSA-N 0 3 268.307 3.631 20 30 CHEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(Br)cc1 ZINC000299712773 263253123 /nfs/dbraw/zinc/25/31/23/263253123.db2.gz QSVUDTJPTKMRNN-WDEREUQCSA-N 0 3 281.197 3.792 20 30 CHEDHN C=CCC[C@@H](NCC1([C@@H](O)C(C)C)CC1)c1ccco1 ZINC000353614396 263267456 /nfs/dbraw/zinc/26/74/56/263267456.db2.gz SOVHXAHDEDOUFI-ZBFHGGJFSA-N 0 3 277.408 3.674 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(N(C)C)c1 ZINC000187711254 263267505 /nfs/dbraw/zinc/26/75/05/263267505.db2.gz BQLDFOUWNJYZJI-HNNXBMFYSA-N 0 3 293.414 3.817 20 30 CHEDHN C=C(CC)CN[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000340850597 263309073 /nfs/dbraw/zinc/30/90/73/263309073.db2.gz OKUIXHLBRCDOER-INIZCTEOSA-N 0 3 275.392 3.625 20 30 CHEDHN C=CCCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342142320 263398748 /nfs/dbraw/zinc/39/87/48/263398748.db2.gz UONTVMJDZGMCQF-QGZVFWFLSA-N 0 3 257.377 3.533 20 30 CHEDHN CS[C@H]1CC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000425353824 264125589 /nfs/dbraw/zinc/12/55/89/264125589.db2.gz NJGLOEQCOMEBSV-KGLIPLIRSA-N 0 3 299.361 3.541 20 30 CHEDHN C=CCC[C@@H](C)NCC(=O)Nc1ccc(C)cc1Cl ZINC000425375134 264203734 /nfs/dbraw/zinc/20/37/34/264203734.db2.gz YQYMGXUEFLYPOB-GFCCVEGCSA-N 0 3 280.799 3.531 20 30 CHEDHN CC(C)Oc1ccc([C@H]2CCC[C@H]2NCCC#N)cc1 ZINC000425967356 264239093 /nfs/dbraw/zinc/23/90/93/264239093.db2.gz NROGJILBEAVNCJ-IAGOWNOFSA-N 0 3 272.392 3.613 20 30 CHEDHN C#CCCOc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000127407665 264256165 /nfs/dbraw/zinc/25/61/65/264256165.db2.gz CQVYUFLFFDFWQS-IBGZPJMESA-N 0 3 294.398 3.754 20 30 CHEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000189583174 264310129 /nfs/dbraw/zinc/31/01/29/264310129.db2.gz UPZLTEDRVRXZTP-MRXNPFEDSA-N 0 3 287.794 3.791 20 30 CHEDHN C=CCC[C@@H](NCc1oc(CCC)nc1C)C1CC1 ZINC000293665184 264981462 /nfs/dbraw/zinc/98/14/62/264981462.db2.gz MFUSJRLXDYNDCZ-CQSZACIVSA-N 0 3 262.397 3.770 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)C2(CCC2)C1 ZINC000357011394 266232437 /nfs/dbraw/zinc/23/24/37/266232437.db2.gz NUQQFIYXSCCFAE-AWEZNQCLSA-N 0 3 284.403 3.579 20 30 CHEDHN C=CCN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472863 266292255 /nfs/dbraw/zinc/29/22/55/266292255.db2.gz LUIRCNBGLPFQMM-HNNXBMFYSA-N 0 3 283.419 3.983 20 30 CHEDHN C=CCN(Cc1cc(F)cc2cccnc21)C1CC1 ZINC000357533636 266316914 /nfs/dbraw/zinc/31/69/14/266316914.db2.gz XCRLRRUGTDADBE-UHFFFAOYSA-N 0 3 256.324 3.524 20 30 CHEDHN C=CCN(Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000357554728 266323529 /nfs/dbraw/zinc/32/35/29/266323529.db2.gz SCDWUFBCAYBTCM-UHFFFAOYSA-N 0 3 294.398 3.811 20 30 CHEDHN C=CCCCN1CC(c2nc3ccccc3s2)C1 ZINC000358822900 266497008 /nfs/dbraw/zinc/49/70/08/266497008.db2.gz BNKGWXHHHIRKBJ-UHFFFAOYSA-N 0 3 258.390 3.662 20 30 CHEDHN N#CCc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000361929990 266905828 /nfs/dbraw/zinc/90/58/28/266905828.db2.gz OTAUUTMEMLNTIV-GOSISDBHSA-N 0 3 292.382 3.625 20 30 CHEDHN COCCN(Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000362963925 267068459 /nfs/dbraw/zinc/06/84/59/267068459.db2.gz QKNIDFMOKSKYQO-UHFFFAOYSA-N 0 3 294.398 3.515 20 30 CHEDHN C[C@@H](NC[C@H]1OCCc2ccccc21)c1cccc(C#N)c1 ZINC000367748735 267114653 /nfs/dbraw/zinc/11/46/53/267114653.db2.gz JUNUTDZXXCHNOO-AUUYWEPGSA-N 0 3 292.382 3.523 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(C3CC3)CC2)cc1 ZINC000368636340 267192726 /nfs/dbraw/zinc/19/27/26/267192726.db2.gz HSPNVAFLJDQSLX-AWEZNQCLSA-N 0 3 284.403 3.599 20 30 CHEDHN CC(C)(CCC#N)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000368821092 267207399 /nfs/dbraw/zinc/20/73/99/267207399.db2.gz AMXUHZAOSLHKQM-MRXNPFEDSA-N 0 3 278.440 3.597 20 30 CHEDHN CCCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000369203601 267225194 /nfs/dbraw/zinc/22/51/94/267225194.db2.gz CNYOWPPOHXCWMW-UHFFFAOYSA-N 0 3 271.408 3.519 20 30 CHEDHN C=CCN(CCc1csc(C)n1)CCc1ccccc1 ZINC000119597417 267346011 /nfs/dbraw/zinc/34/60/11/267346011.db2.gz TYHKRHMPRHWARX-UHFFFAOYSA-N 0 3 286.444 3.725 20 30 CHEDHN N#CC1(CN[C@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000418141543 267364236 /nfs/dbraw/zinc/36/42/36/267364236.db2.gz LEUHJZMPGROWLA-CVEARBPZSA-N 0 3 254.377 3.606 20 30 CHEDHN N#CC1(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)CCC1 ZINC000418144977 267366176 /nfs/dbraw/zinc/36/61/76/267366176.db2.gz WDTSUODHMQSRMN-DLBZAZTESA-N 0 3 268.404 3.681 20 30 CHEDHN CCC(CC)(CCO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305802307 268001503 /nfs/dbraw/zinc/00/15/03/268001503.db2.gz DVYSLQRVTWULPX-CYBMUJFWSA-N 0 3 292.398 3.537 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000377075862 268045351 /nfs/dbraw/zinc/04/53/51/268045351.db2.gz DBQBFWIBAORNJK-BEFAXECRSA-N 0 3 291.398 3.921 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000185757296 327844776 /nfs/dbraw/zinc/84/47/76/327844776.db2.gz QCMWYVBHDXIUOQ-BXUZGUMPSA-N 0 3 282.309 3.877 20 30 CHEDHN CCOc1cccc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185804640 327845615 /nfs/dbraw/zinc/84/56/15/327845615.db2.gz VQCNQDKODFTTJH-IJEWVQPXSA-N 0 3 272.392 3.818 20 30 CHEDHN CN(Cc1ccc(F)cc1F)CC(C)(C)CCC#N ZINC000271046546 328194685 /nfs/dbraw/zinc/19/46/85/328194685.db2.gz RFMXMNUUZWEJIP-UHFFFAOYSA-N 0 3 266.335 3.727 20 30 CHEDHN N#CCCCNCc1ccc(-c2ccccc2F)s1 ZINC000273024865 328203035 /nfs/dbraw/zinc/20/30/35/328203035.db2.gz FDNFTGLNTGFLIY-UHFFFAOYSA-N 0 3 274.364 3.948 20 30 CHEDHN Cc1cccc(NC2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000278636602 328228957 /nfs/dbraw/zinc/22/89/57/328228957.db2.gz OQCGROQJVMKHDO-YJBOKZPZSA-N 0 3 283.419 3.564 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC000533445648 326834048 /nfs/dbraw/zinc/83/40/48/326834048.db2.gz AQDAADDKNHZZNW-DOTOQJQBSA-N 0 3 272.367 3.756 20 30 CHEDHN CN(C/C=C\c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000255755400 327013052 /nfs/dbraw/zinc/01/30/52/327013052.db2.gz MWECMQZZELDIHK-UTCJRWHESA-N 0 3 280.346 3.843 20 30 CHEDHN COc1ccccc1/C=C\CN(C)Cc1ccc(C#N)cc1 ZINC000255868905 327022119 /nfs/dbraw/zinc/02/21/19/327022119.db2.gz NRXXFVKAAVAZFZ-ALCCZGGFSA-N 0 3 292.382 3.712 20 30 CHEDHN CC(C)CO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000557807222 327028398 /nfs/dbraw/zinc/02/83/98/327028398.db2.gz DXVPVZVCXMDCHV-CABCVRRESA-N 0 3 292.448 3.549 20 30 CHEDHN C=CC[C@H](C)N[C@@H](COC)c1cccc(Cl)c1F ZINC000558260075 327083911 /nfs/dbraw/zinc/08/39/11/327083911.db2.gz XGDXXLFELVELFM-GWCFXTLKSA-N 0 3 271.763 3.721 20 30 CHEDHN CCN(CCCSCC#N)Cc1ccc(Cl)s1 ZINC000074980675 327122472 /nfs/dbraw/zinc/12/24/72/327122472.db2.gz SNQIKKMNAVQHSZ-UHFFFAOYSA-N 0 3 288.869 3.870 20 30 CHEDHN C=CCOCCN1CCC[C@@H]1c1ccccc1Cl ZINC000559049722 327139024 /nfs/dbraw/zinc/13/90/24/327139024.db2.gz VZHWZBXRGUTKFU-OAHLLOKOSA-N 0 3 265.784 3.680 20 30 CHEDHN C=CCOCCN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000559151721 327143548 /nfs/dbraw/zinc/14/35/48/327143548.db2.gz PZGORTISOKRVHY-CYBMUJFWSA-N 0 3 289.375 3.603 20 30 CHEDHN CC(C)(C#N)CCCN1CCC[C@H](C(F)(F)F)C1 ZINC000088420218 327163629 /nfs/dbraw/zinc/16/36/29/327163629.db2.gz YIFRKMFALZEFOU-NSHDSACASA-N 0 3 262.319 3.591 20 30 CHEDHN C[C@@H](NCC1(C(F)(F)F)CC1)c1cccc(C#N)c1 ZINC000507235128 332799363 /nfs/dbraw/zinc/79/93/63/332799363.db2.gz ZEYSIRGRKYEVCW-SNVBAGLBSA-N 0 3 268.282 3.551 20 30 CHEDHN CCc1ccc2nccc(N3CCC(CC#N)CC3)c2c1 ZINC000562533904 327488813 /nfs/dbraw/zinc/48/88/13/327488813.db2.gz DUTQEFQRFFJTQK-UHFFFAOYSA-N 0 3 279.387 3.927 20 30 CHEDHN C=CCCCN[C@H](C)c1ncc(Br)s1 ZINC000280083499 327572475 /nfs/dbraw/zinc/57/24/75/327572475.db2.gz NAGWTQHUHPSCPP-MRVPVSSYSA-N 0 3 275.215 3.522 20 30 CHEDHN CC[C@@H](NCC#Cc1ccccc1)c1cccs1 ZINC000051814332 328635275 /nfs/dbraw/zinc/63/52/75/328635275.db2.gz ZQDIFECOZUYFSF-OAHLLOKOSA-N 0 3 255.386 3.841 20 30 CHEDHN CC[C@H](NC[C@H](C#N)CCC#N)C(C)(C)c1ccccc1 ZINC000583626352 328721052 /nfs/dbraw/zinc/72/10/52/328721052.db2.gz OCJGSTADKHTPKP-RDJZCZTQSA-N 0 3 283.419 3.776 20 30 CHEDHN C=CCOc1cccc(CN[C@H]2CCc3cc(N)ccc32)c1 ZINC000582555971 329111264 /nfs/dbraw/zinc/11/12/64/329111264.db2.gz AKYPAMXSHLEAJN-IBGZPJMESA-N 0 3 294.398 3.611 20 30 CHEDHN Cc1ncncc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000582677578 329127333 /nfs/dbraw/zinc/12/73/33/329127333.db2.gz SIDSWWRBJNHZAX-MAUKXSAKSA-N 0 3 294.402 3.871 20 30 CHEDHN C=CCCCN(C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000176989689 329179761 /nfs/dbraw/zinc/17/97/61/329179761.db2.gz CXHPQBANALHASN-UHFFFAOYSA-N 0 3 292.448 3.858 20 30 CHEDHN C=CCSCCN[C@H]1CSCCc2ccccc21 ZINC000180458944 329217539 /nfs/dbraw/zinc/21/75/39/329217539.db2.gz WBJALEBDYRVJOP-HNNXBMFYSA-N 0 3 279.474 3.526 20 30 CHEDHN C=C(C)CN(C)Cc1cccc(OCc2ccccn2)c1 ZINC000181045363 329225496 /nfs/dbraw/zinc/22/54/96/329225496.db2.gz WFQQYUCGPCJSJC-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN C=C(C)CN(CC)Cc1cn(C)nc1-c1cccs1 ZINC000183476475 329247891 /nfs/dbraw/zinc/24/78/91/329247891.db2.gz RXEFZUGRKRHFKZ-UHFFFAOYSA-N 0 3 275.421 3.547 20 30 CHEDHN COc1cc(Cl)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185836187 329330076 /nfs/dbraw/zinc/33/00/76/329330076.db2.gz XJTQGLVCOJCCKR-RISCZKNCSA-N 0 3 278.783 3.521 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCOc3c(Cl)cccc32)C1 ZINC000185794895 329332092 /nfs/dbraw/zinc/33/20/92/329332092.db2.gz KZEBNSZANQZIGX-ZOWXZIJZSA-N 0 3 290.794 3.836 20 30 CHEDHN CC(C)(CC#N)CNCc1cscc1C(F)(F)F ZINC000459739033 329376771 /nfs/dbraw/zinc/37/67/71/329376771.db2.gz YSXIBUJZSFTTIX-UHFFFAOYSA-N 0 3 276.327 3.796 20 30 CHEDHN CC1(C)CN(CCCCC#N)CC[C@H]1C(F)(F)F ZINC000190210829 329393295 /nfs/dbraw/zinc/39/32/95/329393295.db2.gz UMFVKCNWIZSPIL-LLVKDONJSA-N 0 3 262.319 3.591 20 30 CHEDHN C=C(C)[C@H](NCC[C@H](C)F)c1ccc(F)c(F)c1 ZINC000509135646 332859833 /nfs/dbraw/zinc/85/98/33/332859833.db2.gz HSSFVZTZZGKHTB-HZMBPMFUSA-N 0 3 257.299 3.920 20 30 CHEDHN C=CCOc1ccccc1CNCCc1cccc(F)c1 ZINC000035017673 329545010 /nfs/dbraw/zinc/54/50/10/329545010.db2.gz MUHXZYBLOKEGNI-UHFFFAOYSA-N 0 3 285.362 3.723 20 30 CHEDHN C[C@H](N[C@@H]1CC12CCCC2)c1ccc(C#N)cc1F ZINC000429425470 329720628 /nfs/dbraw/zinc/72/06/28/329720628.db2.gz FCDGMMXHBRRJKB-XHDPSFHLSA-N 0 3 258.340 3.681 20 30 CHEDHN C#CC[C@H](NCc1cccc(COC)c1)c1ccccc1 ZINC000270140174 330073933 /nfs/dbraw/zinc/07/39/33/330073933.db2.gz AUMRQENKLZHNQA-IBGZPJMESA-N 0 3 279.383 3.687 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccc(Cl)cc1OC ZINC000421839660 330092810 /nfs/dbraw/zinc/09/28/10/330092810.db2.gz YEGOTDLNFNJAGX-LBPRGKRZSA-N 0 3 283.799 3.592 20 30 CHEDHN C=CCC[C@H](NCCCC1(O)CCC1)c1ccco1 ZINC000421861056 330097941 /nfs/dbraw/zinc/09/79/41/330097941.db2.gz TUHZMZCXFFEHHI-AWEZNQCLSA-N 0 3 263.381 3.572 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc2c(c1)COC2 ZINC000421879553 330102020 /nfs/dbraw/zinc/10/20/20/330102020.db2.gz NISMWGQEFHGQIB-LLVKDONJSA-N 0 3 284.384 3.501 20 30 CHEDHN C=CCCN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000275469081 330110192 /nfs/dbraw/zinc/11/01/92/330110192.db2.gz OEVKISOLRRSYEK-SNVBAGLBSA-N 0 3 265.307 3.658 20 30 CHEDHN C=CCCN(C)Cc1cc(Br)c(OC)s1 ZINC000276147799 330112137 /nfs/dbraw/zinc/11/21/37/330112137.db2.gz OLWYHWPNRHVSBS-UHFFFAOYSA-N 0 3 290.226 3.527 20 30 CHEDHN C=CCCCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000279040846 330121306 /nfs/dbraw/zinc/12/13/06/330121306.db2.gz XNZFKSFMVUPRRI-QMMMGPOBSA-N 0 3 264.316 3.779 20 30 CHEDHN C=CCC[C@@H](NCCc1c(C)noc1C)c1ccco1 ZINC000279093458 330121571 /nfs/dbraw/zinc/12/15/71/330121571.db2.gz UNWLBAYOABUKLA-OAHLLOKOSA-N 0 3 274.364 3.724 20 30 CHEDHN CC(C)OC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000527190493 330232318 /nfs/dbraw/zinc/23/23/18/330232318.db2.gz ADAHJJCLFOBQGO-CQSZACIVSA-N 0 3 272.392 3.509 20 30 CHEDHN C=C(C)COc1cc(CN2[C@H](C)C[C@@H]2C)ccc1OC ZINC000527238762 330240623 /nfs/dbraw/zinc/24/06/23/330240623.db2.gz PLEQOSYGLLJWHR-OKILXGFUSA-N 0 3 275.392 3.633 20 30 CHEDHN C=C(C)COc1cc(CN2[C@@H](C)C[C@@H]2C)ccc1OC ZINC000527238761 330240635 /nfs/dbraw/zinc/24/06/35/330240635.db2.gz PLEQOSYGLLJWHR-KBPBESRZSA-N 0 3 275.392 3.633 20 30 CHEDHN Cc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ccn1 ZINC000527531614 330258437 /nfs/dbraw/zinc/25/84/37/330258437.db2.gz ALFXGEGMBSYZOL-UHFFFAOYSA-N 0 3 279.387 3.672 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000424128081 330259530 /nfs/dbraw/zinc/25/95/30/330259530.db2.gz QUPOZLZEUSMEKY-PSOPSSQASA-N 0 3 260.768 3.609 20 30 CHEDHN C[C@H]1CC(F)(F)CCN1CCC1(C#N)CCCCC1 ZINC000528775787 330292739 /nfs/dbraw/zinc/29/27/39/330292739.db2.gz ZHKDLNDYGZAUCJ-ZDUSSCGKSA-N 0 3 270.367 3.970 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527901995 330293527 /nfs/dbraw/zinc/29/35/27/330293527.db2.gz DPVLPLIZLKLOMB-AWEZNQCLSA-N 0 3 269.392 3.704 20 30 CHEDHN Cc1cc(F)c(CNCC(C)(C)CCC#N)c(F)c1 ZINC000424172742 330312721 /nfs/dbraw/zinc/31/27/21/330312721.db2.gz KPDMDBKYFRQQSO-UHFFFAOYSA-N 0 3 266.335 3.693 20 30 CHEDHN CC(C)(C)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424204269 330327309 /nfs/dbraw/zinc/32/73/09/330327309.db2.gz VEZWNOPZYKNURJ-GOEBONIOSA-N 0 3 256.393 3.766 20 30 CHEDHN C[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)c(F)c1 ZINC000424317345 330339565 /nfs/dbraw/zinc/33/95/65/330339565.db2.gz BYVAVZHLVPAZFA-FUEDEBDSSA-N 0 3 258.340 3.537 20 30 CHEDHN C[C@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccsc2S1 ZINC000424318187 330339688 /nfs/dbraw/zinc/33/96/88/330339688.db2.gz CQHNVCFJFQMIAR-KQXIARHKSA-N 0 3 278.446 3.955 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000533301547 330356720 /nfs/dbraw/zinc/35/67/20/330356720.db2.gz WHLCHXAEPOGAQU-GFCCVEGCSA-N 0 3 280.799 3.565 20 30 CHEDHN N#Cc1cc(CN2CC[C@@H](c3ccccc3)C2)ccc1F ZINC000119302643 330372508 /nfs/dbraw/zinc/37/25/08/330372508.db2.gz GFDZBQSDSUDSCS-MRXNPFEDSA-N 0 3 280.346 3.687 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000119366735 330373604 /nfs/dbraw/zinc/37/36/04/330373604.db2.gz HSVHYGDPDIRDBG-ZJUUUORDSA-N 0 3 259.271 3.810 20 30 CHEDHN CC[C@@H](NCCCC(C)(C)C#N)c1nccs1 ZINC000087598461 330373722 /nfs/dbraw/zinc/37/37/22/330373722.db2.gz DQYMWDYTLOXBLI-LLVKDONJSA-N 0 3 251.399 3.514 20 30 CHEDHN C=C(C)CNCc1ccc(Oc2cccnc2)c(C)c1 ZINC000119657060 330378278 /nfs/dbraw/zinc/37/82/78/330378278.db2.gz RVYKFWBQGYBXQQ-UHFFFAOYSA-N 0 3 268.360 3.848 20 30 CHEDHN N#Cc1ccccc1CN[C@@H](Cc1ccccc1)C1CC1 ZINC000162810452 330384739 /nfs/dbraw/zinc/38/47/39/330384739.db2.gz KUFPIPKLONKDIN-IBGZPJMESA-N 0 3 276.383 3.669 20 30 CHEDHN C=C(C)COCCN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000090451086 330392605 /nfs/dbraw/zinc/39/26/05/330392605.db2.gz QQALDCGYPJCYJC-OAHLLOKOSA-N 0 3 295.810 3.736 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1sc(C(C)C)nc1C ZINC000090451102 330392611 /nfs/dbraw/zinc/39/26/11/330392611.db2.gz URERSHRKQJYTQG-GFCCVEGCSA-N 0 3 282.453 3.818 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)ccc1F ZINC000537407389 330434855 /nfs/dbraw/zinc/43/48/55/330434855.db2.gz KCCHTFDJRQOJSF-LBPRGKRZSA-N 0 3 286.325 3.996 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCc2c1c(F)ccc2F ZINC000435673241 330659957 /nfs/dbraw/zinc/65/99/57/330659957.db2.gz MYNBGAZHVQUXRN-KCTSRDHCSA-N 0 3 293.357 3.523 20 30 CHEDHN C=C[C@@H](C)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000435780937 330662910 /nfs/dbraw/zinc/66/29/10/330662910.db2.gz YPDCTJUWQSJZOE-CQSZACIVSA-N 0 3 267.376 3.514 20 30 CHEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000442708448 330780186 /nfs/dbraw/zinc/78/01/86/330780186.db2.gz JFGMRHNSBXOIJH-GUTXKFCHSA-N 0 3 272.392 3.883 20 30 CHEDHN CC(C)(C)c1cccc(OCCN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442869993 330788960 /nfs/dbraw/zinc/78/89/60/330788960.db2.gz CIONTGGPTMLKQG-GOEBONIOSA-N 0 3 286.419 3.645 20 30 CHEDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000447581552 330871166 /nfs/dbraw/zinc/87/11/66/330871166.db2.gz VDBJLZFRAVYLLO-KRWDZBQOSA-N 0 3 295.342 3.707 20 30 CHEDHN CCCCCn1cc(CN[C@H]2CCC[C@@H](C#N)C2)c(C)n1 ZINC000447589318 330872080 /nfs/dbraw/zinc/87/20/80/330872080.db2.gz XMORZFFEJIGKQV-WBVHZDCISA-N 0 3 288.439 3.554 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC1(C#N)CC1 ZINC000451194545 331019902 /nfs/dbraw/zinc/01/99/02/331019902.db2.gz ZCWZKLAVZGPJNF-IIAWOOMASA-N 0 3 254.377 3.557 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC1(C#N)CC1 ZINC000451194544 331019985 /nfs/dbraw/zinc/01/99/85/331019985.db2.gz ZCWZKLAVZGPJNF-FMKPAKJESA-N 0 3 254.377 3.557 20 30 CHEDHN C=CCCCCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451289144 331023378 /nfs/dbraw/zinc/02/33/78/331023378.db2.gz WRRGKSSCLJQITF-ZWKOTPCHSA-N 0 3 291.410 3.533 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@]2(CCSC2)C1 ZINC000451962040 331048412 /nfs/dbraw/zinc/04/84/12/331048412.db2.gz FHMGGRGEUYVRPK-WMLDXEAASA-N 0 3 286.444 3.838 20 30 CHEDHN C=C(CC)CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452061232 331052372 /nfs/dbraw/zinc/05/23/72/331052372.db2.gz OWUXOMCDZZRJEA-AWEZNQCLSA-N 0 3 265.422 3.508 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccccc1SC ZINC000194930969 331079560 /nfs/dbraw/zinc/07/95/60/331079560.db2.gz NCOHCFNGHRACIN-ZDUSSCGKSA-N 0 3 265.422 3.652 20 30 CHEDHN C=CC[C@H](C)N[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453132687 331092520 /nfs/dbraw/zinc/09/25/20/331092520.db2.gz ACFGGWRRSQNKOJ-UONOGXRCSA-N 0 3 269.392 3.702 20 30 CHEDHN Cc1cc([C@H](C)NCCOc2ccc(C#N)cc2)cs1 ZINC000453151037 331094517 /nfs/dbraw/zinc/09/45/17/331094517.db2.gz NKKVRVDCQAEUFV-ZDUSSCGKSA-N 0 3 286.400 3.658 20 30 CHEDHN C[C@H]1CC[C@@H](NCC2(CC#N)CC2)c2sccc21 ZINC000453210006 331101755 /nfs/dbraw/zinc/10/17/55/331101755.db2.gz JBILPVWYHFVMSZ-WCQYABFASA-N 0 3 260.406 3.970 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc2ccccc2n1 ZINC000453361208 331122502 /nfs/dbraw/zinc/12/25/02/331122502.db2.gz QLPZRXDBEMQXPX-XWIAVFTESA-N 0 3 282.387 3.619 20 30 CHEDHN CC(C)[C@H](NCc1ccc(C#N)c(F)c1)c1cccnc1 ZINC000453376417 331124867 /nfs/dbraw/zinc/12/48/67/331124867.db2.gz IFNTWFMKWSKBRN-KRWDZBQOSA-N 0 3 283.350 3.579 20 30 CHEDHN CC[C@@H]1CC[C@H](C)N(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000456816052 331205479 /nfs/dbraw/zinc/20/54/79/331205479.db2.gz FTHWIUCJFSKZJK-LZLYRXPVSA-N 0 3 298.430 3.796 20 30 CHEDHN C[C@@H](CC(C)(C)C)NC(=O)C(C#N)CCc1ccccc1 ZINC000457184117 331214384 /nfs/dbraw/zinc/21/43/84/331214384.db2.gz BIPKGXWFJBXSIQ-HOCLYGCPSA-N 0 3 286.419 3.700 20 30 CHEDHN CC[C@]1(C(C)C)C[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000457283115 331218062 /nfs/dbraw/zinc/21/80/62/331218062.db2.gz NLUCCAVUIGKFEL-ZIFCJYIRSA-N 0 3 298.430 3.700 20 30 CHEDHN C=C(CC)C[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459562395 331287964 /nfs/dbraw/zinc/28/79/64/331287964.db2.gz ORTKBJWPEUIWQF-UHFFFAOYSA-N 0 3 269.772 3.500 20 30 CHEDHN N#CCCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459587587 331289482 /nfs/dbraw/zinc/28/94/82/331289482.db2.gz WLPTZFRTBSJPQU-MRXNPFEDSA-N 0 3 254.377 3.907 20 30 CHEDHN C[C@H]1CCCC[C@]1(C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459603557 331290400 /nfs/dbraw/zinc/29/04/00/331290400.db2.gz AFKODNMBUVKYHP-LRDDRELGSA-N 0 3 287.363 3.525 20 30 CHEDHN CC(C)(CC#N)CNCc1ccccc1OCC1CC1 ZINC000459691755 331294679 /nfs/dbraw/zinc/29/46/79/331294679.db2.gz LMYKGMZRKAWRME-UHFFFAOYSA-N 0 3 272.392 3.505 20 30 CHEDHN CCCOc1cc(CNCC(C)(C)CC#N)ccc1OC ZINC000459693473 331294711 /nfs/dbraw/zinc/29/47/11/331294711.db2.gz MXWXSEDKLICSEA-UHFFFAOYSA-N 0 3 290.407 3.513 20 30 CHEDHN CC(C)(CC#N)CNCc1cccc(OC(F)(F)F)c1 ZINC000459706984 331295225 /nfs/dbraw/zinc/29/52/25/331295225.db2.gz ZLAGIEFZUSQOML-UHFFFAOYSA-N 0 3 286.297 3.615 20 30 CHEDHN C=CCC[C@H](CC)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459719855 331295597 /nfs/dbraw/zinc/29/55/97/331295597.db2.gz YGTVWCUHMODIQI-CORIIIEPSA-N 0 3 295.448 3.656 20 30 CHEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000166724933 331307609 /nfs/dbraw/zinc/30/76/09/331307609.db2.gz XSNJJZJFPYZTRI-UPJWGTAASA-N 0 3 260.356 3.564 20 30 CHEDHN CC#CCCN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000462314033 331319143 /nfs/dbraw/zinc/31/91/43/331319143.db2.gz MSOAENGYZAVVES-UHFFFAOYSA-N 0 3 269.388 3.588 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000462607995 331323946 /nfs/dbraw/zinc/32/39/46/331323946.db2.gz SQYWVYYIYVWSMG-CVEARBPZSA-N 0 3 292.382 3.936 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1C[C@H]1Cc1ccccc1 ZINC000462764520 331328023 /nfs/dbraw/zinc/32/80/23/331328023.db2.gz NXDWZGFXBJFWMS-MOPGFXCFSA-N 0 3 293.410 3.972 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462965842 331336106 /nfs/dbraw/zinc/33/61/06/331336106.db2.gz PAQHJOJBNJFMIM-UHIISALHSA-N 0 3 281.346 3.979 20 30 CHEDHN CCC1(CC)CN(Cc2ccc(C#N)cc2)CCS1 ZINC000464580714 331363130 /nfs/dbraw/zinc/36/31/30/331363130.db2.gz LFPNXFLRFMZGEH-UHFFFAOYSA-N 0 3 274.433 3.666 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000464887502 331372811 /nfs/dbraw/zinc/37/28/11/331372811.db2.gz NHRYWWOPIRARRB-GASCZTMLSA-N 0 3 293.332 3.789 20 30 CHEDHN CCc1cccc(F)c1CNCCc1cccc(C#N)c1 ZINC000466426462 331396709 /nfs/dbraw/zinc/39/67/09/331396709.db2.gz UWVJBXZYXHJDKS-UHFFFAOYSA-N 0 3 282.362 3.592 20 30 CHEDHN C=CCCCCNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000472070928 331528611 /nfs/dbraw/zinc/52/86/11/331528611.db2.gz XFBWVCABYYYZQW-LBPRGKRZSA-N 0 3 264.438 3.714 20 30 CHEDHN C=C(C)CN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000472930555 331545179 /nfs/dbraw/zinc/54/51/79/331545179.db2.gz REFFFFBEHZKSJN-UHFFFAOYSA-N 0 3 257.377 3.751 20 30 CHEDHN CC#CCN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511058254 332925893 /nfs/dbraw/zinc/92/58/93/332925893.db2.gz DZIWBSJKTORHKH-MRXNPFEDSA-N 0 3 263.331 3.572 20 30 CHEDHN Cc1cccc(C(C)(C)NCC#Cc2ccccc2)c1 ZINC000484071489 331891832 /nfs/dbraw/zinc/89/18/32/331891832.db2.gz NFNBMLAYFWGSCJ-UHFFFAOYSA-N 0 3 263.384 3.871 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cccc(OC(F)F)c1 ZINC000489435307 332052325 /nfs/dbraw/zinc/05/23/25/332052325.db2.gz UANSUVCPOODJNY-ZDUSSCGKSA-N 0 3 267.319 3.829 20 30 CHEDHN C=C[C@@H]1CCCCN1CCCc1nc(-c2ccccc2)no1 ZINC000489473229 332054949 /nfs/dbraw/zinc/05/49/49/332054949.db2.gz JDZKXPTUICTDDU-MRXNPFEDSA-N 0 3 297.402 3.710 20 30 CHEDHN C[C@@H]1C[C@H](CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000490403890 332088624 /nfs/dbraw/zinc/08/86/24/332088624.db2.gz QIXXGFFFGSNMOG-PSBWJHGTSA-N 0 3 298.430 3.573 20 30 CHEDHN C=CCCCCCN(C)Cc1cccc(O)c1OC ZINC000490537405 332090576 /nfs/dbraw/zinc/09/05/76/332090576.db2.gz CKIWLUHKNMZEJN-UHFFFAOYSA-N 0 3 263.381 3.579 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccc(F)c(F)c1 ZINC000491307885 332186979 /nfs/dbraw/zinc/18/69/79/332186979.db2.gz RSVRFLWGUWHHDB-UHFFFAOYSA-N 0 3 277.314 3.789 20 30 CHEDHN C#C[C@@H](NC1CCC2(CCCO2)CC1)c1ccc(F)cc1 ZINC000491439463 332211643 /nfs/dbraw/zinc/21/16/43/332211643.db2.gz JTNQINGNVPLALE-LXPRWKDFSA-N 0 3 287.378 3.581 20 30 CHEDHN CC[C@@H](C)[C@H](C)NCc1cc(C#N)ccc1Br ZINC000491598433 332242114 /nfs/dbraw/zinc/24/21/14/332242114.db2.gz GSPZRBYOOHXIND-MNOVXSKESA-N 0 3 295.224 3.845 20 30 CHEDHN C=CCCCN(CCC)CC(=O)Nc1ccccc1C ZINC000172173489 335096487 /nfs/dbraw/zinc/09/64/87/335096487.db2.gz LCIDZMLNNHGODI-UHFFFAOYSA-N 0 3 274.408 3.612 20 30 CHEDHN C=C1CCN(CCCOc2c(C)cccc2C)CC1 ZINC000496881039 332563168 /nfs/dbraw/zinc/56/31/68/332563168.db2.gz HWVNDAFGGLAYML-UHFFFAOYSA-N 0 3 259.393 3.724 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000248827390 334318494 /nfs/dbraw/zinc/31/84/94/334318494.db2.gz GPTYOYFWBAMYGC-WPGHFRTFSA-N 0 3 274.795 3.999 20 30 CHEDHN C=CC[C@H](CC)N[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000500815946 332619454 /nfs/dbraw/zinc/61/94/54/332619454.db2.gz NDLWMGYIDQBAGD-IRXDYDNUSA-N 0 3 288.435 3.540 20 30 CHEDHN N#Cc1cccc(CCN[C@@H]2CCc3c2c(F)ccc3F)c1 ZINC000503603420 332693984 /nfs/dbraw/zinc/69/39/84/332693984.db2.gz SVAXBFBUMXEPBT-QGZVFWFLSA-N 0 3 298.336 3.656 20 30 CHEDHN CC(C)CC[C@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305826408 333000280 /nfs/dbraw/zinc/00/02/80/333000280.db2.gz RDTPRJGKRCTERT-DYVFJYSZSA-N 0 3 292.398 3.535 20 30 CHEDHN CC(C)(C#N)CCCN1CCN(CC2CCCCC2)CC1 ZINC000174834493 333008455 /nfs/dbraw/zinc/00/84/55/333008455.db2.gz XXFRJUUKDDWJGQ-UHFFFAOYSA-N 0 3 291.483 3.514 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2cccs2)C2CC2)cc1F ZINC000404565216 333015120 /nfs/dbraw/zinc/01/51/20/333015120.db2.gz ALKXKRVBEOKATH-INIZCTEOSA-N 0 3 286.375 4.000 20 30 CHEDHN C=CCC[C@H](N[C@H](C)CC(=O)OC(C)(C)C)c1ccco1 ZINC000513707398 333034008 /nfs/dbraw/zinc/03/40/08/333034008.db2.gz CDQCHAYKBDFPMA-KGLIPLIRSA-N 0 3 293.407 3.997 20 30 CHEDHN CCN(Cc1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000521222519 333115595 /nfs/dbraw/zinc/11/55/95/333115595.db2.gz FNMHPGCIISACHE-UHFFFAOYSA-N 0 3 264.372 3.889 20 30 CHEDHN CCN(C[C@@H](C)C#N)CC1CCC(C(F)(F)F)CC1 ZINC000185499441 333142134 /nfs/dbraw/zinc/14/21/34/333142134.db2.gz QXODNCXVOGVAQW-HIFPTAJRSA-N 0 3 276.346 3.837 20 30 CHEDHN Cc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1Cl ZINC000185898860 333151348 /nfs/dbraw/zinc/15/13/48/333151348.db2.gz QPSDOEIWDAIFPE-GXTWGEPZSA-N 0 3 262.784 3.820 20 30 CHEDHN C=C(C)[C@H](N[C@H](CC)COC)c1ccc(F)c(F)c1 ZINC000186449547 333161103 /nfs/dbraw/zinc/16/11/03/333161103.db2.gz TVRQCBLJVMJMEJ-DOMZBBRYSA-N 0 3 269.335 3.597 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 ZINC000521894587 333196452 /nfs/dbraw/zinc/19/64/52/333196452.db2.gz UAVCPUXAJAXMCX-BEFAXECRSA-N 0 3 291.398 3.579 20 30 CHEDHN CCSCC[C@@H](C)N(C)CC#Cc1ccccc1 ZINC000192112674 333229811 /nfs/dbraw/zinc/22/98/11/333229811.db2.gz JBHFEYZDXVNYRW-OAHLLOKOSA-N 0 3 261.434 3.502 20 30 CHEDHN CC(C)CCOC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000193110007 333242671 /nfs/dbraw/zinc/24/26/71/333242671.db2.gz HIVSPJJVNNLONV-UHFFFAOYSA-N 0 3 286.419 3.585 20 30 CHEDHN CC(C)(NCc1cccc(C#N)c1)c1cccs1 ZINC000522629642 333293328 /nfs/dbraw/zinc/29/33/28/333293328.db2.gz ZEOFFZPFRGTYRV-UHFFFAOYSA-N 0 3 256.374 3.645 20 30 CHEDHN C=CC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000523606769 333333726 /nfs/dbraw/zinc/33/37/26/333333726.db2.gz UACSTMZSBJZQHF-UHFFFAOYSA-N 0 3 265.784 3.617 20 30 CHEDHN CC#CCCNCc1ccc(Br)c(Cl)c1 ZINC000232463197 333337055 /nfs/dbraw/zinc/33/70/55/333337055.db2.gz RRBHJJIOLKMPSN-UHFFFAOYSA-N 0 3 286.600 3.606 20 30 CHEDHN COCc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1F ZINC000174068736 335147474 /nfs/dbraw/zinc/14/74/74/335147474.db2.gz XKVJXAZMYWZHMD-CYBMUJFWSA-N 0 3 298.361 3.695 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000538223792 333580317 /nfs/dbraw/zinc/58/03/17/333580317.db2.gz CIBFXPKQVCVJHH-XJKSGUPXSA-N 0 3 297.389 3.969 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)o1)C(C)(C)c1ccccc1 ZINC000174438733 335154957 /nfs/dbraw/zinc/15/49/57/335154957.db2.gz TVMSOONLNPGLHS-QGZVFWFLSA-N 0 3 282.387 3.997 20 30 CHEDHN C=C(CC)CN1CCC(Oc2ccc(C)cc2)CC1 ZINC000539104172 333658533 /nfs/dbraw/zinc/65/85/33/333658533.db2.gz NYIMBUZRPCGCAX-UHFFFAOYSA-N 0 3 259.393 3.804 20 30 CHEDHN N#Cc1ccc(CNCCCCCc2ccccc2)o1 ZINC000174341930 335152937 /nfs/dbraw/zinc/15/29/37/335152937.db2.gz IUYWCTGYVNNVBU-UHFFFAOYSA-N 0 3 268.360 3.654 20 30 CHEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(Cl)ccc1OCC ZINC000539296474 333664488 /nfs/dbraw/zinc/66/44/88/333664488.db2.gz BCUNBFIAIJBZGE-OLZOCXBDSA-N 0 3 297.826 3.574 20 30 CHEDHN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(CC#N)cc1 ZINC000576107202 335155279 /nfs/dbraw/zinc/15/52/79/335155279.db2.gz CVPLOMCZPXLJID-AUUYWEPGSA-N 0 3 276.383 3.776 20 30 CHEDHN C=CCCC[C@@H](C)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000540295861 333723706 /nfs/dbraw/zinc/72/37/06/333723706.db2.gz FUVHKEXWWMUSCJ-CQSZACIVSA-N 0 3 293.842 3.602 20 30 CHEDHN N#Cc1cccc(OCCCNC2(c3ccccc3)CC2)c1 ZINC000540359277 333726929 /nfs/dbraw/zinc/72/69/29/333726929.db2.gz HJPMFJREPWPSPU-UHFFFAOYSA-N 0 3 292.382 3.606 20 30 CHEDHN C=CCCNC1(c2ccc(F)cc2F)CCCC1 ZINC000540430753 333730015 /nfs/dbraw/zinc/73/00/15/333730015.db2.gz RKCJTFIPJSHQJW-UHFFFAOYSA-N 0 3 251.320 3.900 20 30 CHEDHN C=CCC[C@H](C)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000542667516 333835313 /nfs/dbraw/zinc/83/53/13/333835313.db2.gz PVRXOZOGXQTHAI-HNNXBMFYSA-N 0 3 295.430 3.805 20 30 CHEDHN C[C@]1(NCc2ccc(C#N)s2)CCCc2ccccc21 ZINC000543748000 333894831 /nfs/dbraw/zinc/89/48/31/333894831.db2.gz BCNSWZVXELQKPI-KRWDZBQOSA-N 0 3 282.412 3.961 20 30 CHEDHN CC[C@H](CC(F)(F)F)N[C@H](C)c1cccc(C#N)c1 ZINC000545460588 333983100 /nfs/dbraw/zinc/98/31/00/333983100.db2.gz RFJNZECRLNJGRE-ZWNOBZJWSA-N 0 3 270.298 3.940 20 30 CHEDHN C=CC[C@H](CO)NCc1ccc(-c2ccc(CC)cc2)o1 ZINC000545960869 334009371 /nfs/dbraw/zinc/00/93/71/334009371.db2.gz QDXSEXCLEAXWJB-MRXNPFEDSA-N 0 3 285.387 3.536 20 30 CHEDHN C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000576224669 335173453 /nfs/dbraw/zinc/17/34/53/335173453.db2.gz KXEKYSYFEMPEFI-YQFWSFKMSA-N 0 3 272.392 3.577 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000546654545 334043805 /nfs/dbraw/zinc/04/38/05/334043805.db2.gz GRRASASCBPIFMB-UGFHNGPFSA-N 0 3 262.784 3.725 20 30 CHEDHN C[C@@]1(NCc2cc(C#N)cs2)CCCc2ccccc21 ZINC000547286331 334076135 /nfs/dbraw/zinc/07/61/35/334076135.db2.gz OFJBPAFOHYMGHQ-QGZVFWFLSA-N 0 3 282.412 3.961 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000076801903 334089384 /nfs/dbraw/zinc/08/93/84/334089384.db2.gz SBYHUEOTKKBEDO-LLVKDONJSA-N 0 3 298.789 3.704 20 30 CHEDHN CC[C@H]1CCCCCN1Cc1ccc(C#N)cc1F ZINC000134725296 334101876 /nfs/dbraw/zinc/10/18/76/334101876.db2.gz MDHSGOJLEYICOL-HNNXBMFYSA-N 0 3 260.356 3.852 20 30 CHEDHN C[C@@H]1[C@@H](C(F)(F)F)CCCN1CCC(C)(C)C#N ZINC000548496964 334160584 /nfs/dbraw/zinc/16/05/84/334160584.db2.gz YYCAUKAVFXCMCN-MNOVXSKESA-N 0 3 262.319 3.589 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245416706 334191391 /nfs/dbraw/zinc/19/13/91/334191391.db2.gz FLAMCYHFTMJDKH-RDTXWAMCSA-N 0 3 262.356 3.751 20 30 CHEDHN C=CCOCCN(CCC)[C@H](C)c1ccccc1OC ZINC000549399110 334192186 /nfs/dbraw/zinc/19/21/86/334192186.db2.gz ZYNKFQKNDPRRSS-OAHLLOKOSA-N 0 3 277.408 3.671 20 30 CHEDHN COC1(CCN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000549464355 334194744 /nfs/dbraw/zinc/19/47/44/334194744.db2.gz WYDFWGIGSQXVQU-QZTJIDSGSA-N 0 3 298.430 3.717 20 30 CHEDHN N#CC1(c2ccccn2)CCN([C@H]2C=CCCCCC2)CC1 ZINC000549673791 334201422 /nfs/dbraw/zinc/20/14/22/334201422.db2.gz YBYCNHILAIFKFP-KRWDZBQOSA-N 0 3 295.430 3.828 20 30 CHEDHN N#C[C@H]1CC[C@@H](N2CCC(OCC3CCCCC3)CC2)C1 ZINC000549860614 334207186 /nfs/dbraw/zinc/20/71/86/334207186.db2.gz PGEMPARJRZZDHV-DLBZAZTESA-N 0 3 290.451 3.740 20 30 CHEDHN N#CCC[C@H](C#N)CNCCC12CC3CC(CC(C3)C1)C2 ZINC000551357315 334247557 /nfs/dbraw/zinc/24/75/57/334247557.db2.gz CNPFVSVGDKOJNM-CZVCLPBNSA-N 0 3 285.435 3.626 20 30 CHEDHN C=CCC[C@H](NCC1(O)CCCCC1)c1ccco1 ZINC000552252236 334309197 /nfs/dbraw/zinc/30/91/97/334309197.db2.gz GKHGTYIGFGKRIA-AWEZNQCLSA-N 0 3 263.381 3.572 20 30 CHEDHN Cc1cc(CNCc2ccc(C#N)s2)c(C)s1 ZINC000553513797 334389457 /nfs/dbraw/zinc/38/94/57/334389457.db2.gz FPVUJYDREMQERU-UHFFFAOYSA-N 0 3 262.403 3.588 20 30 CHEDHN COc1cccc2c1CCC[C@@H]2NCc1ccc(C#N)s1 ZINC000566083063 334621069 /nfs/dbraw/zinc/62/10/69/334621069.db2.gz PVHXCEGGHBOJKO-INIZCTEOSA-N 0 3 298.411 3.796 20 30 CHEDHN Cc1ccccc1[C@H](NCc1ccc(C#N)cn1)C(C)C ZINC000569135990 334857447 /nfs/dbraw/zinc/85/74/47/334857447.db2.gz QYJLOLKUPQCTPO-GOSISDBHSA-N 0 3 279.387 3.749 20 30 CHEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)CC[C@H]1C(F)(F)F ZINC000576685843 335234625 /nfs/dbraw/zinc/23/46/25/335234625.db2.gz BJWYOJCDAGVKJR-QJPTWQEYSA-N 0 3 274.330 3.589 20 30 CHEDHN N#CCc1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000576702968 335236912 /nfs/dbraw/zinc/23/69/12/335236912.db2.gz GERIZYYDGPXCER-GOSISDBHSA-N 0 3 295.361 3.528 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc(Cl)c1)CC2 ZINC000577028493 335284618 /nfs/dbraw/zinc/28/46/18/335284618.db2.gz OMNPJTZOMCZRQX-QGZVFWFLSA-N 0 3 282.774 3.989 20 30 CHEDHN C=C(C)CCN[C@H](COC)c1cccc(Cl)c1 ZINC000580625926 335305717 /nfs/dbraw/zinc/30/57/17/335305717.db2.gz JHIPIZILKOXGEY-CQSZACIVSA-N 0 3 253.773 3.583 20 30 CHEDHN N#CCc1ccc(CNCc2ccc(C3CC3)cc2)cc1 ZINC000577220226 335325162 /nfs/dbraw/zinc/32/51/62/335325162.db2.gz JKPASVTYSPUYCF-UHFFFAOYSA-N 0 3 276.383 3.920 20 30 CHEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)NCC1(C#N)CC1 ZINC000577458180 335354253 /nfs/dbraw/zinc/35/42/53/335354253.db2.gz WBSQJELFTFVCSI-RYUDHWBXSA-N 0 3 262.784 3.725 20 30 CHEDHN C=CCCN(Cc1cccc(C)c1)Cc1ccccn1 ZINC000177644764 335376721 /nfs/dbraw/zinc/37/67/21/335376721.db2.gz DADSLIUJACHARS-UHFFFAOYSA-N 0 3 266.388 3.968 20 30 CHEDHN N#CCC[C@@H](C#N)CNC1CCC2(CCCCC2)CC1 ZINC000577723195 335392255 /nfs/dbraw/zinc/39/22/55/335392255.db2.gz JXNVEVZYPBJPFA-HNNXBMFYSA-N 0 3 273.424 3.913 20 30 CHEDHN CCC[C@H](NCc1nc(C#N)cs1)C1CCCCC1 ZINC000577921666 335420929 /nfs/dbraw/zinc/42/09/29/335420929.db2.gz OZSMLAXMGXVMPB-AWEZNQCLSA-N 0 3 277.437 3.853 20 30 CHEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000581300591 336041789 /nfs/dbraw/zinc/04/17/89/336041789.db2.gz WEVMWXZLVZYPJA-NEWSRXKRSA-N 0 3 295.430 3.994 20 30 CHEDHN C=CCOc1ccc(CNCc2csc(C)c2)cc1 ZINC000381293714 336058333 /nfs/dbraw/zinc/05/83/33/336058333.db2.gz ONCCUXPDOHVMJC-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1Cl ZINC000384292803 336123345 /nfs/dbraw/zinc/12/33/45/336123345.db2.gz XVQGFNMWHIBERN-XHDPSFHLSA-N 0 3 262.784 3.832 20 30 CHEDHN N#CC(CCc1ccccc1)C(=O)NC12CCC(CC1)CC2 ZINC000581868388 336154916 /nfs/dbraw/zinc/15/49/16/336154916.db2.gz JDXDWTJMLLNIAP-TVRKMHQQSA-N 0 3 296.414 3.598 20 30 CHEDHN Cc1ccc(CC[C@H](C)NCc2ccc(C#N)cc2F)o1 ZINC000344635035 533827720 /nfs/dbraw/zinc/82/77/20/533827720.db2.gz UOULUNFEUYPSDG-LBPRGKRZSA-N 0 3 286.350 3.710 20 30 CHEDHN Cc1cc2cc(CNCc3ccc(C#N)cc3)ccc2[nH]1 ZINC000353121356 534090291 /nfs/dbraw/zinc/09/02/91/534090291.db2.gz DLIGSVKSSSUBQB-UHFFFAOYSA-N 0 3 275.355 3.638 20 30 CHEDHN CCOc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000037679617 521374137 /nfs/dbraw/zinc/37/41/37/521374137.db2.gz SDZCLKNQTQJRAC-CQSZACIVSA-N 0 3 280.371 3.808 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccncc1C ZINC000294994850 521682534 /nfs/dbraw/zinc/68/25/34/521682534.db2.gz YHWNUIQITRCKQF-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN CCc1ccccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000275551756 521838068 /nfs/dbraw/zinc/83/80/68/521838068.db2.gz CIYSWLNDIAVOBO-UHFFFAOYSA-N 0 3 276.383 3.900 20 30 CHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC000087824150 522648443 /nfs/dbraw/zinc/64/84/43/522648443.db2.gz GJDBTIOOGQXPNX-KRWDZBQOSA-N 0 3 280.371 3.808 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)c(O)c1)c1ccc(C#N)cc1 ZINC000278786674 522878465 /nfs/dbraw/zinc/87/84/65/522878465.db2.gz QDYSEXGAPGNZTH-MRXNPFEDSA-N 0 3 296.370 3.513 20 30 CHEDHN CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(C)cc1[O-] ZINC000280227232 522879557 /nfs/dbraw/zinc/87/95/57/522879557.db2.gz VCQZZEIDQHFFCN-QGZVFWFLSA-N 0 3 280.371 3.813 20 30 CHEDHN Cc1cc([C@@H](NCc2cc(C#N)n(C)c2)C2CC2)ccc1F ZINC000276586246 525484172 /nfs/dbraw/zinc/48/41/72/525484172.db2.gz CPASKAKJNMGLGG-SFHVURJKSA-N 0 3 297.377 3.585 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000364779460 526073990 /nfs/dbraw/zinc/07/39/90/526073990.db2.gz OBXYEWZAVMUQTQ-RDTXWAMCSA-N 0 3 284.403 3.510 20 30 CHEDHN Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)cc1 ZINC000299306912 526154303 /nfs/dbraw/zinc/15/43/03/526154303.db2.gz CWNMPLQSTQRRBQ-SFHVURJKSA-N 0 3 262.356 3.644 20 30 CHEDHN C=C(C)CN(CC/C=C/CC)Cc1ccc(CO)o1 ZINC000352816099 526551647 /nfs/dbraw/zinc/55/16/47/526551647.db2.gz OMADLUARHCDQGF-AATRIKPKSA-N 0 3 263.381 3.506 20 30 CHEDHN N#Cc1ccc(CNCCCc2cccc(Cl)c2)o1 ZINC000237775701 526622995 /nfs/dbraw/zinc/62/29/95/526622995.db2.gz RDKCZNUCXLSSDO-UHFFFAOYSA-N 0 3 274.751 3.527 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000155487153 526625678 /nfs/dbraw/zinc/62/56/78/526625678.db2.gz COEDRFTZSHGGLA-QGZVFWFLSA-N 0 3 278.355 3.562 20 30 CHEDHN C=CCCC[C@@H](C)N[C@H](CCOC)c1ccco1 ZINC000347998291 527272912 /nfs/dbraw/zinc/27/29/12/527272912.db2.gz FZOQTAUOWVGOIR-ZIAGYGMSSA-N 0 3 251.370 3.692 20 30 CHEDHN C=CCC[C@@H](NC[C@H](OC)C(C)C)c1ccco1 ZINC000353521550 527449571 /nfs/dbraw/zinc/44/95/71/527449571.db2.gz PZWYOKONJDDNGE-HIFRSBDPSA-N 0 3 251.370 3.548 20 30 CHEDHN C=CCC[C@H](NCCc1cscn1)c1ccco1 ZINC000353623460 527483820 /nfs/dbraw/zinc/48/38/20/527483820.db2.gz RFECEONNIHUGEM-ZDUSSCGKSA-N 0 3 262.378 3.576 20 30 CHEDHN CC1(C2CC2)CCN(Cc2ccc(C#N)cc2)CC1 ZINC000352202342 527904970 /nfs/dbraw/zinc/90/49/70/527904970.db2.gz YOGCPJPRBSVEJQ-UHFFFAOYSA-N 0 3 254.377 3.570 20 30 CHEDHN CCN(C(=O)C(C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000347035113 529052050 /nfs/dbraw/zinc/05/20/50/529052050.db2.gz KFNWSKOVKZPSON-MNOVXSKESA-N 0 3 298.308 3.775 20 30 CHEDHN CCC1(CC)CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000347258258 529057689 /nfs/dbraw/zinc/05/76/89/529057689.db2.gz VSXMLDQUVLWLAH-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccsc1 ZINC000294177985 1125478335 /nfs/dbraw/zinc/47/83/35/1125478335.db2.gz DIZISXWXOISECF-HNNXBMFYSA-N 0 3 256.374 3.861 20 30 CHEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1ccccc1Cl ZINC000246055560 1119388491 /nfs/dbraw/zinc/38/84/91/1119388491.db2.gz VGNMHKGKNYXIEB-OLZOCXBDSA-N 0 3 267.800 3.660 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1csc(COC)n1 ZINC000657529385 1120489678 /nfs/dbraw/zinc/48/96/78/1120489678.db2.gz VFXRFPHVCVMKED-GXTWGEPZSA-N 0 3 280.437 3.514 20 30 CHEDHN C=CCCN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000499890072 1120545563 /nfs/dbraw/zinc/54/55/63/1120545563.db2.gz WUDJOWTWIVEEKV-AWEZNQCLSA-N 0 3 278.827 3.595 20 30 CHEDHN CC1(C)C[C@H](NCc2ccc(C#N)cc2Cl)C(C)(C)O1 ZINC000439430996 1122779145 /nfs/dbraw/zinc/77/91/45/1122779145.db2.gz OHVSZHZQQIZDOW-AWEZNQCLSA-N 0 3 292.810 3.647 20 30 CHEDHN C=CCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441249660 1123071200 /nfs/dbraw/zinc/07/12/00/1123071200.db2.gz CKYBCFCDIMAAIX-UHFFFAOYSA-N 0 3 260.337 3.525 20 30 CHEDHN C#CCCCCCN[C@@H](C)c1csc(CC)n1 ZINC000878419172 1125151249 /nfs/dbraw/zinc/15/12/49/1125151249.db2.gz UALJEVJJCSFUEH-LBPRGKRZSA-N 0 3 250.411 3.550 20 30 CHEDHN CCCCCCCN(C)Cc1ncc(C(F)(F)F)[nH]1 ZINC001137015865 1131505770 /nfs/dbraw/zinc/50/57/70/1131505770.db2.gz ZRNDVYRHYMQWCI-UHFFFAOYSA-N 0 3 277.334 3.831 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)CC2CCCC2)c1[O-] ZINC001138628621 1131529369 /nfs/dbraw/zinc/52/93/69/1131529369.db2.gz YVLAPKYWXLUFBF-UHFFFAOYSA-N 0 3 259.393 3.743 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)CC2CCCC2)c1[O-] ZINC001138628621 1131529372 /nfs/dbraw/zinc/52/93/72/1131529372.db2.gz YVLAPKYWXLUFBF-UHFFFAOYSA-N 0 3 259.393 3.743 20 30 CHEDHN CCCCCCC[C@@H](C)N1CC[C@@](N)(C(F)(F)F)C1 ZINC001246564910 1131627598 /nfs/dbraw/zinc/62/75/98/1131627598.db2.gz ADCODTJUAVQFPK-OLZOCXBDSA-N 0 3 280.378 3.701 20 30 CHEDHN CCCCCCC[C@@H](CC)NCC(=O)c1cccnc1 ZINC001172349463 1132181434 /nfs/dbraw/zinc/18/14/34/1132181434.db2.gz CIDHPBBSKORGMR-MRXNPFEDSA-N 0 3 276.424 3.993 20 30 CHEDHN C[C@@H](CCCC#N)N[C@@H](C)c1c(F)cccc1F ZINC001172484294 1132230962 /nfs/dbraw/zinc/23/09/62/1132230962.db2.gz CAEDFGLSTBGSSV-QWRGUYRKSA-N 0 3 252.308 3.698 20 30 CHEDHN C#CC1CCN([C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172859442 1132343246 /nfs/dbraw/zinc/34/32/46/1132343246.db2.gz AXLOMMJUWCQBPA-GFCCVEGCSA-N 0 3 279.786 3.755 20 30 CHEDHN CCCCCCCN(C)Cc1cccc(CF)n1 ZINC001232535205 1132483045 /nfs/dbraw/zinc/48/30/45/1132483045.db2.gz MXQSZJZBSJBHQE-UHFFFAOYSA-N 0 3 252.377 3.953 20 30 CHEDHN C#CCN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134858386 1125567916 /nfs/dbraw/zinc/56/79/16/1125567916.db2.gz HBAUHQABPNBSSJ-UHFFFAOYSA-N 0 3 265.809 3.530 20 30 CHEDHN C[C@]1(c2ccccc2)CCCN(Cc2ccc(C#N)o2)C1 ZINC000093437822 1125569959 /nfs/dbraw/zinc/56/99/59/1125569959.db2.gz UVGYSEOGNRFSQF-SFHVURJKSA-N 0 3 280.371 3.705 20 30 CHEDHN N#CC(C(=O)CC1CCCCCC1)c1ccccn1 ZINC000135833531 1125601596 /nfs/dbraw/zinc/60/15/96/1125601596.db2.gz HPZXOMRZKITHSL-CQSZACIVSA-N 0 3 256.349 3.618 20 30 CHEDHN C#CC[C@@H]1CCN([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000886358361 1125672427 /nfs/dbraw/zinc/67/24/27/1125672427.db2.gz TYCVIIQRPDYOQT-HUUCEWRRSA-N 0 3 280.371 3.748 20 30 CHEDHN C=CCC1(O)CCN(Cc2c(C)cccc2Cl)CC1 ZINC000886778635 1125717015 /nfs/dbraw/zinc/71/70/15/1125717015.db2.gz LJSBHNHMSWDEBV-UHFFFAOYSA-N 0 3 279.811 3.551 20 30 CHEDHN C=CCC[C@@H](C)NCc1cc(O)ccc1Br ZINC001258721338 1129559498 /nfs/dbraw/zinc/55/94/98/1129559498.db2.gz RVUOSAHEDSVIAA-SNVBAGLBSA-N 0 3 284.197 3.599 20 30 CHEDHN COc1ccc(CNCc2cccc(Cl)c2)cc1C#N ZINC000087824192 1129194317 /nfs/dbraw/zinc/19/43/17/1129194317.db2.gz PTUGARMLATZQLV-UHFFFAOYSA-N 0 3 286.762 3.510 20 30 CHEDHN C#CCCCN1CCC[C@@H]1c1cccc(Br)c1 ZINC000766896236 1129769238 /nfs/dbraw/zinc/76/92/38/1129769238.db2.gz YGQHURZPXVNYDY-OAHLLOKOSA-N 0 3 292.220 3.999 20 30 CHEDHN C#CCCCCNCc1csc(-c2ccsc2)n1 ZINC000150733557 1126745237 /nfs/dbraw/zinc/74/52/37/1126745237.db2.gz GAZXOHHTAMCAKP-UHFFFAOYSA-N 0 3 276.430 3.765 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000138870280 1126747907 /nfs/dbraw/zinc/74/79/07/1126747907.db2.gz QBTBRRROUUTVQP-SFHVURJKSA-N 0 3 278.355 3.601 20 30 CHEDHN C=CCN(C)Cc1ccc(-c2scnc2C)cc1 ZINC000668011013 1126752137 /nfs/dbraw/zinc/75/21/37/1126752137.db2.gz QGMPMBOZOSMSHN-UHFFFAOYSA-N 0 3 258.390 3.736 20 30 CHEDHN C=CCC[C@H](NCc1cnn(C=C)c1)c1ccccc1 ZINC000194389636 1126763631 /nfs/dbraw/zinc/76/36/31/1126763631.db2.gz RPFLMKMUNWVBEB-KRWDZBQOSA-N 0 3 267.376 3.781 20 30 CHEDHN N#Cc1cc(Cl)ccc1CN(CC1CC1)C1CCC1 ZINC000483290847 1126778567 /nfs/dbraw/zinc/77/85/67/1126778567.db2.gz APCBFKQGXBRVEJ-UHFFFAOYSA-N 0 3 274.795 3.976 20 30 CHEDHN C=CCN(CCOC)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000483415665 1126786430 /nfs/dbraw/zinc/78/64/30/1126786430.db2.gz BIQXORWAXCUQKW-UHFFFAOYSA-N 0 3 299.361 3.539 20 30 CHEDHN C[C@H](CN(C)CC#Cc1ccccc1)c1ccccc1 ZINC000483595516 1126793985 /nfs/dbraw/zinc/79/39/85/1126793985.db2.gz SHWXHBDAEFUCPN-QGZVFWFLSA-N 0 3 263.384 3.774 20 30 CHEDHN COc1ccc2c(c1Cl)[C@@H](NCCCC#N)CCC2 ZINC000903148996 1126796814 /nfs/dbraw/zinc/79/68/14/1126796814.db2.gz YYMAYTCLVMDHOD-LBPRGKRZSA-N 0 3 278.783 3.619 20 30 CHEDHN C[C@H](NCC#Cc1ccccc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000483694039 1126797899 /nfs/dbraw/zinc/79/78/99/1126797899.db2.gz QNOOJADXJXWSCL-GQIGUUNPSA-N 0 3 291.394 3.581 20 30 CHEDHN N#CCOc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000180559217 1126846379 /nfs/dbraw/zinc/84/63/79/1126846379.db2.gz ZELJEAVTCLNABZ-SFHVURJKSA-N 0 3 296.345 3.505 20 30 CHEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000924798377 1126852669 /nfs/dbraw/zinc/85/26/69/1126852669.db2.gz NKJIWRKNYKLNJJ-NWDGAFQWSA-N 0 3 275.352 3.574 20 30 CHEDHN COc1ccccc1[C@H](CC(C)C)NCCCC#N ZINC000181716407 1126859697 /nfs/dbraw/zinc/85/96/97/1126859697.db2.gz ILLMUJYBASQSAF-HNNXBMFYSA-N 0 3 260.381 3.676 20 30 CHEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000181806463 1126861258 /nfs/dbraw/zinc/86/12/58/1126861258.db2.gz ZUWRDMRULVVRTD-CXAGYDPISA-N 0 3 265.360 3.755 20 30 CHEDHN Cc1cc(C)c(/C=C/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000905083819 1126888901 /nfs/dbraw/zinc/88/89/01/1126888901.db2.gz FTAGJZQHIDWBMS-FVURKLFWSA-N 0 3 293.370 3.600 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000185879607 1126905174 /nfs/dbraw/zinc/90/51/74/1126905174.db2.gz UFENXRGTXUQQKT-NOLJZWGESA-N 0 3 288.366 3.711 20 30 CHEDHN CCSc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccn1 ZINC000187789548 1126914794 /nfs/dbraw/zinc/91/47/94/1126914794.db2.gz XGBPJTZJZJBQCT-CYBMUJFWSA-N 0 3 297.427 3.916 20 30 CHEDHN CCN(Cc1cncc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000189804076 1126935463 /nfs/dbraw/zinc/93/54/63/1126935463.db2.gz YFLYKDDVZMKORX-HNNXBMFYSA-N 0 3 279.387 3.845 20 30 CHEDHN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191226839 1126950074 /nfs/dbraw/zinc/95/00/74/1126950074.db2.gz KNPYTXVJJYFLHF-GFCCVEGCSA-N 0 3 287.794 3.743 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000271460329 1127083677 /nfs/dbraw/zinc/08/36/77/1127083677.db2.gz PQYLGWYESKAOBC-KBPBESRZSA-N 0 3 265.360 3.674 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)C1 ZINC000349339462 1127147953 /nfs/dbraw/zinc/14/79/53/1127147953.db2.gz CXALVOKXHITRNU-UHIISALHSA-N 0 3 276.380 3.644 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc2c[nH]nc21 ZINC000351603017 1127196999 /nfs/dbraw/zinc/19/69/99/1127196999.db2.gz QATMVCANEZDPII-UHFFFAOYSA-N 0 3 277.371 3.751 20 30 CHEDHN Cc1cc(C)cc([C@H]2CCN(Cc3ccc(C#N)cn3)C2)c1 ZINC000572493819 1127202098 /nfs/dbraw/zinc/20/20/98/1127202098.db2.gz BHAHYAHXSTWXOX-KRWDZBQOSA-N 0 3 291.398 3.560 20 30 CHEDHN CC[C@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237751084 1131137888 /nfs/dbraw/zinc/13/78/88/1131137888.db2.gz GCDYYXGSKIUMLF-HNNXBMFYSA-N 0 3 262.784 3.976 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@H]2c2ccccc2)CCCC1 ZINC000589166580 1127213381 /nfs/dbraw/zinc/21/33/81/1127213381.db2.gz GROVQARIILWQNJ-DLBZAZTESA-N 0 3 268.404 3.996 20 30 CHEDHN Cc1ccc([C@H]2CCN(CC#Cc3ccccc3)C2)cc1 ZINC000572668530 1127223515 /nfs/dbraw/zinc/22/35/15/1127223515.db2.gz XJDIGONXZBNPOM-FQEVSTJZSA-N 0 3 275.395 3.836 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000589514755 1127225943 /nfs/dbraw/zinc/22/59/43/1127225943.db2.gz KQRCMFPVYLYFIQ-IUODEOHRSA-N 0 3 294.320 3.951 20 30 CHEDHN C=CCC[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccco1 ZINC000285889400 1127246496 /nfs/dbraw/zinc/24/64/96/1127246496.db2.gz ZXYSIWKXHFRQBZ-GJZGRUSLSA-N 0 3 288.391 3.772 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)c1ccccc1F)c1ccco1 ZINC000285916391 1127247242 /nfs/dbraw/zinc/24/72/42/1127247242.db2.gz DMTLMUYDWYRFDS-JKSUJKDBSA-N 0 3 289.350 3.749 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001238090181 1131169475 /nfs/dbraw/zinc/16/94/75/1131169475.db2.gz COKLZDPUXZDWGS-CQSZACIVSA-N 0 3 261.796 3.802 20 30 CHEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cs1 ZINC000590653803 1127266830 /nfs/dbraw/zinc/26/68/30/1127266830.db2.gz ZCRIJCDMVDIVGC-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN C#C[C@@H](C)N[C@H](CC)c1ccc(Br)cc1 ZINC000166491088 1127284527 /nfs/dbraw/zinc/28/45/27/1127284527.db2.gz GSKOCFYMGUNRDO-ZWNOBZJWSA-N 0 3 266.182 3.512 20 30 CHEDHN C=C(C)CN1CCC(c2cccc(F)c2F)CC1 ZINC000573177992 1127297759 /nfs/dbraw/zinc/29/77/59/1127297759.db2.gz NAVOHZPUTJKNHW-UHFFFAOYSA-N 0 3 251.320 3.720 20 30 CHEDHN CC(C)(CC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC000591502705 1127305921 /nfs/dbraw/zinc/30/59/21/1127305921.db2.gz LPVHCRJQVAXTGZ-UHFFFAOYSA-N 0 3 274.261 3.518 20 30 CHEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc(CO)c2)cc1 ZINC000287583114 1127310237 /nfs/dbraw/zinc/31/02/37/1127310237.db2.gz RDBIXCNCAGXGNX-HNNXBMFYSA-N 0 3 297.398 3.595 20 30 CHEDHN N#Cc1cnccc1CNC1(Cc2ccccc2)CCCC1 ZINC000592105019 1127333344 /nfs/dbraw/zinc/33/33/44/1127333344.db2.gz ZRCYRIPMKFMFKH-UHFFFAOYSA-N 0 3 291.398 3.598 20 30 CHEDHN N#Cc1cnccc1CN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000592108335 1127333697 /nfs/dbraw/zinc/33/36/97/1127333697.db2.gz VWDHMYSLFDPWRE-RTBURBONSA-N 0 3 291.398 3.769 20 30 CHEDHN CC(C)CC[C@H](NCc1ccncc1C#N)C(C)(C)C ZINC000592096671 1127336288 /nfs/dbraw/zinc/33/62/88/1127336288.db2.gz AQPWLARFYMAILZ-INIZCTEOSA-N 0 3 273.424 3.894 20 30 CHEDHN CC1(C)[C@@H](c2ccccc2)CCN1Cc1ccncc1C#N ZINC000592125649 1127337343 /nfs/dbraw/zinc/33/73/43/1127337343.db2.gz ZBMWQXKPORSQTD-GOSISDBHSA-N 0 3 291.398 3.721 20 30 CHEDHN CN(Cc1ccc(C#N)cc1F)[C@H]1CCC(C)(C)C1 ZINC000355577045 1127350204 /nfs/dbraw/zinc/35/02/04/1127350204.db2.gz CUYNJHOBRAGCRI-AWEZNQCLSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000289680150 1127384698 /nfs/dbraw/zinc/38/46/98/1127384698.db2.gz HQOAGRVWECXRTE-PBHICJAKSA-N 0 3 297.398 3.560 20 30 CHEDHN C[C@H](CCc1ccc(F)cc1)NCC1(C#N)CCCC1 ZINC000593653117 1127393199 /nfs/dbraw/zinc/39/31/99/1127393199.db2.gz CBDTYPLQZDNMKR-CQSZACIVSA-N 0 3 274.383 3.820 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)CCCC1 ZINC000593654331 1127394389 /nfs/dbraw/zinc/39/43/89/1127394389.db2.gz AZDWKNLSZDALIN-NVXWUHKLSA-N 0 3 283.419 3.781 20 30 CHEDHN N#CC(C(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccn1 ZINC000046439275 1127400786 /nfs/dbraw/zinc/40/07/86/1127400786.db2.gz ZEPVASKLTNFZGC-DZPQGLOJSA-N 0 3 294.398 3.864 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](C(F)(F)F)C1 ZINC000761054903 1127414108 /nfs/dbraw/zinc/41/41/08/1127414108.db2.gz KRMLLFXOCVBJGS-ZDUSSCGKSA-N 0 3 296.336 3.872 20 30 CHEDHN CC(C)(C#N)c1ccc(CNCc2ccccc2)cc1 ZINC000594493475 1127418497 /nfs/dbraw/zinc/41/84/97/1127418497.db2.gz PUQUVZAVLMLXLY-UHFFFAOYSA-N 0 3 264.372 3.778 20 30 CHEDHN Cc1nn(-c2ccc(C)cc2)cc1CNCC(C)(C)CC#N ZINC000594507022 1127418991 /nfs/dbraw/zinc/41/89/91/1127418991.db2.gz JYFHRWNPCWZPJR-UHFFFAOYSA-N 0 3 296.418 3.519 20 30 CHEDHN C=CCC[C@H](NC[C@H](C)C(=O)OC(C)(C)C)c1ccco1 ZINC000594508374 1127419805 /nfs/dbraw/zinc/41/98/05/1127419805.db2.gz BNMKSYMNXAICAG-KBPBESRZSA-N 0 3 293.407 3.854 20 30 CHEDHN C=CCN(C)Cc1cccc(COc2ccccc2)c1 ZINC001308704518 1127433522 /nfs/dbraw/zinc/43/35/22/1127433522.db2.gz KRYJTIOFALEOHE-UHFFFAOYSA-N 0 3 267.372 3.883 20 30 CHEDHN COCc1csc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000594725383 1127429639 /nfs/dbraw/zinc/42/96/39/1127429639.db2.gz JTVIGMFRJTUZOR-LBPRGKRZSA-N 0 3 286.400 3.617 20 30 CHEDHN CCCn1nccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000594943022 1127438690 /nfs/dbraw/zinc/43/86/90/1127438690.db2.gz GHQJTWBKSRHYME-GOSISDBHSA-N 0 3 296.418 3.818 20 30 CHEDHN CC(C)(NCc1cccs1)c1cccc(C#N)c1 ZINC000594964274 1127440758 /nfs/dbraw/zinc/44/07/58/1127440758.db2.gz CTTKHAQNDDVNDJ-UHFFFAOYSA-N 0 3 256.374 3.645 20 30 CHEDHN CC(C)[C@@H](NCCCC#N)c1cc(F)ccc1F ZINC000358984882 1127442131 /nfs/dbraw/zinc/44/21/31/1127442131.db2.gz LMXOIFNQBPVOKJ-CQSZACIVSA-N 0 3 252.308 3.555 20 30 CHEDHN COCc1csc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000595077871 1127453147 /nfs/dbraw/zinc/45/31/47/1127453147.db2.gz QTAXBSSKWSDSPW-QGZVFWFLSA-N 0 3 298.411 3.543 20 30 CHEDHN COc1cccc2c1CC[C@H](NCC1(C#N)CCCCC1)C2 ZINC000595092206 1127455020 /nfs/dbraw/zinc/45/50/20/1127455020.db2.gz ZGNZXSNGHLGWCT-INIZCTEOSA-N 0 3 298.430 3.616 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2cc(F)ccc2OC(F)F)C1 ZINC000595094001 1127455579 /nfs/dbraw/zinc/45/55/79/1127455579.db2.gz RUDWJGCMAJJPSO-GWCFXTLKSA-N 0 3 298.308 3.599 20 30 CHEDHN C[C@@H]1CC[C@@]2(CCN(Cc3ccccc3C#N)C2)C1 ZINC000359290680 1127456616 /nfs/dbraw/zinc/45/66/16/1127456616.db2.gz LSDYETJIFUVHDI-RHSMWYFYSA-N 0 3 254.377 3.570 20 30 CHEDHN CC1(C)CCN(C[C@H](C#N)CCC#N)CC(C)(C)C1 ZINC000595748827 1127474744 /nfs/dbraw/zinc/47/47/44/1127474744.db2.gz IDBZQHHNIFRORI-AWEZNQCLSA-N 0 3 261.413 3.578 20 30 CHEDHN CCCN(Cc1ccccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000595781184 1127476568 /nfs/dbraw/zinc/47/65/68/1127476568.db2.gz ACBGQRKTQSMQDB-UKRRQHHQSA-N 0 3 260.356 3.730 20 30 CHEDHN CCCN(Cc1ccccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000595781183 1127476586 /nfs/dbraw/zinc/47/65/86/1127476586.db2.gz ACBGQRKTQSMQDB-HIFRSBDPSA-N 0 3 260.356 3.730 20 30 CHEDHN C=CCC(C)(C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000292847452 1127484241 /nfs/dbraw/zinc/48/42/41/1127484241.db2.gz QEHUFBVVPOZSSE-UHFFFAOYSA-N 0 3 274.408 3.597 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccc(C)nc1C ZINC000360232621 1127493161 /nfs/dbraw/zinc/49/31/61/1127493161.db2.gz BJPRIPYLKMIAJC-UHFFFAOYSA-N 0 3 270.376 3.522 20 30 CHEDHN CC(C)COc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000597173931 1127531588 /nfs/dbraw/zinc/53/15/88/1127531588.db2.gz NWSIYFUXGNTDCG-MRXNPFEDSA-N 0 3 286.419 3.847 20 30 CHEDHN C=CCC[C@@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361188509 1127546524 /nfs/dbraw/zinc/54/65/24/1127546524.db2.gz SSNYCOPOVLUHRJ-ZWNOBZJWSA-N 0 3 267.319 3.733 20 30 CHEDHN CO[C@]1(C)CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000361410905 1127561794 /nfs/dbraw/zinc/56/17/94/1127561794.db2.gz SLMLCPSYHUSMDR-MRXNPFEDSA-N 0 3 292.810 3.603 20 30 CHEDHN Cc1ccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1 ZINC000361502942 1127567999 /nfs/dbraw/zinc/56/79/99/1127567999.db2.gz ZXFVVUUZXLWUSU-SFHVURJKSA-N 0 3 279.387 3.542 20 30 CHEDHN CC1(c2ccccc2)CCN(Cc2cccc(C#N)n2)CC1 ZINC000602466704 1127582856 /nfs/dbraw/zinc/58/28/56/1127582856.db2.gz UYIIQKBWGJYARQ-UHFFFAOYSA-N 0 3 291.398 3.507 20 30 CHEDHN C[C@H]1CC[C@@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000361765574 1127587545 /nfs/dbraw/zinc/58/75/45/1127587545.db2.gz KWIVGFQTBYXHAK-SUMWQHHRSA-N 0 3 272.367 3.709 20 30 CHEDHN C[C@@H](CCC#N)CN1CCc2c(Cl)cccc2C1 ZINC000602477886 1127584165 /nfs/dbraw/zinc/58/41/65/1127584165.db2.gz YKKHLJVHWZIICY-LBPRGKRZSA-N 0 3 262.784 3.638 20 30 CHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)s1 ZINC000602508121 1127588807 /nfs/dbraw/zinc/58/88/07/1127588807.db2.gz SJFZWKIGZZVYTO-LLVKDONJSA-N 0 3 298.839 3.590 20 30 CHEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000602531268 1127591384 /nfs/dbraw/zinc/59/13/84/1127591384.db2.gz GPAAFPBYSFILEU-QGZVFWFLSA-N 0 3 299.418 3.694 20 30 CHEDHN C[C@H](CCC#N)CN[C@@H](c1ccco1)c1ccccc1 ZINC000602593747 1127595157 /nfs/dbraw/zinc/59/51/57/1127595157.db2.gz OEEZSKCDCQFERJ-RHSMWYFYSA-N 0 3 268.360 3.898 20 30 CHEDHN C[C@H](CCC#N)CN1CCc2cc(Cl)ccc2C1 ZINC000602636869 1127601402 /nfs/dbraw/zinc/60/14/02/1127601402.db2.gz YOLQXHHNHUAEDX-GFCCVEGCSA-N 0 3 262.784 3.638 20 30 CHEDHN CC(C)N(Cc1cccc(C#N)n1)[C@H](C)c1ccccc1 ZINC000602670855 1127602059 /nfs/dbraw/zinc/60/20/59/1127602059.db2.gz GYFWPPSXWFSROZ-OAHLLOKOSA-N 0 3 279.387 3.925 20 30 CHEDHN N#CCCC[C@H](NCc1cccc(F)c1N)c1ccccc1 ZINC000602668115 1127603461 /nfs/dbraw/zinc/60/34/61/1127603461.db2.gz BQTKVGXSJTXIPO-KRWDZBQOSA-N 0 3 297.377 3.933 20 30 CHEDHN C=CCOc1ccccc1CN1CCC(SC)CC1 ZINC000602727983 1127610142 /nfs/dbraw/zinc/61/01/42/1127610142.db2.gz GWFANISHONGNLI-UHFFFAOYSA-N 0 3 277.433 3.579 20 30 CHEDHN CC[C@H]1c2ccsc2CCN1CC1(CC#N)CC1 ZINC000602762474 1127611267 /nfs/dbraw/zinc/61/12/67/1127611267.db2.gz JHBFPFJPGKCHTJ-ZDUSSCGKSA-N 0 3 260.406 3.751 20 30 CHEDHN N#CCC1(CNC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000602804973 1127615360 /nfs/dbraw/zinc/61/53/60/1127615360.db2.gz IRUIITFMQFFSBJ-UHFFFAOYSA-N 0 3 260.768 3.613 20 30 CHEDHN CC[C@@H](c1ccccc1OC)N(C)CC1(CC#N)CC1 ZINC000602832568 1127616096 /nfs/dbraw/zinc/61/60/96/1127616096.db2.gz JPPIGTSAHKRGKY-HNNXBMFYSA-N 0 3 272.392 3.772 20 30 CHEDHN C[C@@H]1SCCN(CC2(CC#N)CC2)[C@H]1c1ccccc1 ZINC000602778559 1127613357 /nfs/dbraw/zinc/61/33/57/1127613357.db2.gz GYOLFRUVWYZLAQ-GOEBONIOSA-N 0 3 286.444 3.859 20 30 CHEDHN N#CCC1(CN2CCCCC[C@H]2c2ccco2)CC1 ZINC000602777326 1127613467 /nfs/dbraw/zinc/61/34/67/1127613467.db2.gz FVBVLRGMKJOEIC-AWEZNQCLSA-N 0 3 258.365 3.891 20 30 CHEDHN N#CCC1(CN2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000602783715 1127613811 /nfs/dbraw/zinc/61/38/11/1127613811.db2.gz KXJJXUCMZLRLMC-AWEZNQCLSA-N 0 3 295.386 3.701 20 30 CHEDHN N#CCC1(CN2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000602768229 1127614708 /nfs/dbraw/zinc/61/47/08/1127614708.db2.gz LMGQNSLMDNLIAK-OAHLLOKOSA-N 0 3 258.340 3.656 20 30 CHEDHN CC(C)[C@@H](NCC1(CC#N)CC1)c1ccccc1F ZINC000602883202 1127620112 /nfs/dbraw/zinc/62/01/12/1127620112.db2.gz OSAVQFHKEPNQOB-OAHLLOKOSA-N 0 3 260.356 3.806 20 30 CHEDHN C[C@H](c1ccccc1Cl)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598586085 1127626431 /nfs/dbraw/zinc/62/64/31/1127626431.db2.gz OFLDXKRPGMYCRL-OLZOCXBDSA-N 0 3 294.826 3.634 20 30 CHEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@@H]1CCCCO1 ZINC000599043174 1127652242 /nfs/dbraw/zinc/65/22/42/1127652242.db2.gz VVEMKURTVSLYIM-XIRDDKMYSA-N 0 3 272.392 3.579 20 30 CHEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@H]1CCCCO1 ZINC000599043171 1127652298 /nfs/dbraw/zinc/65/22/98/1127652298.db2.gz VVEMKURTVSLYIM-BHYGNILZSA-N 0 3 272.392 3.579 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599057504 1127653604 /nfs/dbraw/zinc/65/36/04/1127653604.db2.gz FNWFNCMAXZVDPX-JHJVBQTASA-N 0 3 278.346 3.842 20 30 CHEDHN Cc1ccc(CN(C)Cc2ccc(C)c(C#N)c2)s1 ZINC000599280302 1127665750 /nfs/dbraw/zinc/66/57/50/1127665750.db2.gz FOWJRHUGMHJYSU-UHFFFAOYSA-N 0 3 270.401 3.869 20 30 CHEDHN C[C@@H](CCC#N)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599516429 1127676925 /nfs/dbraw/zinc/67/69/25/1127676925.db2.gz UDCKAZFNQCGXFG-JSGCOSHPSA-N 0 3 278.346 3.836 20 30 CHEDHN N#CCSCCCNC1(c2c(F)cccc2F)CCC1 ZINC000599694655 1127687170 /nfs/dbraw/zinc/68/71/70/1127687170.db2.gz JIOIXUKEWCJTQA-UHFFFAOYSA-N 0 3 296.386 3.580 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1cccnc1 ZINC000297955857 1127712170 /nfs/dbraw/zinc/71/21/70/1127712170.db2.gz TZGADZPKFJFPLS-OAHLLOKOSA-N 0 3 279.387 3.926 20 30 CHEDHN N#CCC1(CN[C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000366816929 1127748150 /nfs/dbraw/zinc/74/81/50/1127748150.db2.gz BYCQZQHAZTXACK-AWEZNQCLSA-N 0 3 290.794 3.837 20 30 CHEDHN N#Cc1ccc(C2(NCc3cccc(F)c3)CCC2)cc1 ZINC000594032973 1127774636 /nfs/dbraw/zinc/77/46/36/1127774636.db2.gz TZNPUWYJAHQZOT-UHFFFAOYSA-N 0 3 280.346 3.866 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCCCO1 ZINC000594040079 1127778501 /nfs/dbraw/zinc/77/85/01/1127778501.db2.gz CZGZPNQUTYTUEV-CVEARBPZSA-N 0 3 292.810 3.649 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccco3)C2)c(Cl)c1 ZINC000615224787 1127783715 /nfs/dbraw/zinc/78/37/15/1127783715.db2.gz GCJMNHXLTGUIMY-AWEZNQCLSA-N 0 3 286.762 3.794 20 30 CHEDHN C=CCN(Cc1cccc(C#N)c1)C1CC(OC(C)C)C1 ZINC000411189344 1127846826 /nfs/dbraw/zinc/84/68/26/1127846826.db2.gz GBFZBLBNCGDVHY-UHFFFAOYSA-N 0 3 284.403 3.502 20 30 CHEDHN COc1ccc(CNCc2ccc(SC)cc2)cc1C#N ZINC000174302505 1127888286 /nfs/dbraw/zinc/88/82/86/1127888286.db2.gz SWLJDNBVVRNLRG-UHFFFAOYSA-N 0 3 298.411 3.579 20 30 CHEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000608976622 1127896320 /nfs/dbraw/zinc/89/63/20/1127896320.db2.gz CTXAJNXQWYJTAM-AWEZNQCLSA-N 0 3 282.362 3.933 20 30 CHEDHN C[C@H]1CO[C@H](c2ccccc2)CN1CC1CCC(C#N)CC1 ZINC000929487110 1127910541 /nfs/dbraw/zinc/91/05/41/1127910541.db2.gz DQFVXWNZNWIPGL-LOTPSLMQSA-N 0 3 298.430 3.778 20 30 CHEDHN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000595087832 1127950855 /nfs/dbraw/zinc/95/08/55/1127950855.db2.gz FGFBMUPXDRNXOA-SGTLLEGYSA-N 0 3 278.355 3.602 20 30 CHEDHN C=C(C)COc1cc(CN2CC[C@H]2C(C)C)ccc1OC ZINC000540505263 1127981751 /nfs/dbraw/zinc/98/17/51/1127981751.db2.gz WWRSUCJPZNJTIG-INIZCTEOSA-N 0 3 289.419 3.880 20 30 CHEDHN N#Cc1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)ccc1F ZINC000468285700 1128001602 /nfs/dbraw/zinc/00/16/02/1128001602.db2.gz KKIQQUZAMULGTA-OAHLLOKOSA-N 0 3 298.336 3.826 20 30 CHEDHN CCc1ccc(CN(C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000468293337 1128002333 /nfs/dbraw/zinc/00/23/33/1128002333.db2.gz XFBSNKTUWFXLNL-UHFFFAOYSA-N 0 3 282.362 3.892 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CSCc2ccccc21 ZINC000924847602 1128114829 /nfs/dbraw/zinc/11/48/29/1128114829.db2.gz HGAIYNUTKQZUGX-DOMZBBRYSA-N 0 3 274.433 3.892 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1ccccc1OCC1CC1 ZINC000925108288 1128122313 /nfs/dbraw/zinc/12/23/13/1128122313.db2.gz IQQYAFNQMZLDAQ-CQSZACIVSA-N 0 3 286.419 3.893 20 30 CHEDHN COc1ccc(CN[C@H]2CCc3cccc(C)c32)cc1C#N ZINC000925582491 1128133137 /nfs/dbraw/zinc/13/31/37/1128133137.db2.gz FYPRRLALWZNVDZ-KRWDZBQOSA-N 0 3 292.382 3.652 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NC1(c2cccc(F)c2)CC1 ZINC000925878920 1128144692 /nfs/dbraw/zinc/14/46/92/1128144692.db2.gz OJXHERIKXBLQLR-GFCCVEGCSA-N 0 3 260.356 3.733 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCCOc2cc(F)ccc21 ZINC000925972352 1128148450 /nfs/dbraw/zinc/14/84/50/1128148450.db2.gz FNWOUCSBJMNZFX-DOMZBBRYSA-N 0 3 290.382 3.957 20 30 CHEDHN C=CCCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001307635435 1128160258 /nfs/dbraw/zinc/16/02/58/1128160258.db2.gz MJVNUMWCYHRTTO-HUUCEWRRSA-N 0 3 296.455 3.672 20 30 CHEDHN C[C@H]1CC(N=Nc2ccc(Cl)c(F)c2)CN1C1CC1 ZINC000753959461 1128161945 /nfs/dbraw/zinc/16/19/45/1128161945.db2.gz IYONNYJDOGPXRV-VIFPVBQESA-N 0 3 281.762 3.504 20 30 CHEDHN COc1cc(CN[C@H]2CCc3cccc(C)c32)ccc1C#N ZINC000926448365 1128172737 /nfs/dbraw/zinc/17/27/37/1128172737.db2.gz DBNIGHLXIAEJQE-KRWDZBQOSA-N 0 3 292.382 3.652 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1cnccc1C(C)(C)C ZINC000926580917 1128182055 /nfs/dbraw/zinc/18/20/55/1128182055.db2.gz ALSMLZKJQYDQNP-ZDUSSCGKSA-N 0 3 273.424 3.797 20 30 CHEDHN C=CCCC(C)(C)CN[C@H]1CCCc2oc(C)nc21 ZINC000926781241 1128194452 /nfs/dbraw/zinc/19/44/52/1128194452.db2.gz MTMGIJJIAHXARR-ZDUSSCGKSA-N 0 3 262.397 3.942 20 30 CHEDHN COc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)cc1C ZINC000487878876 1128259279 /nfs/dbraw/zinc/25/92/79/1128259279.db2.gz LRSMPEJHSYFGQC-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926893103 1128200587 /nfs/dbraw/zinc/20/05/87/1128200587.db2.gz PYLPBUPCBBSJRJ-VXGBXAGGSA-N 0 3 275.352 3.574 20 30 CHEDHN Cc1nc2c(s1)[C@@H](NCc1ccc(C)c(C#N)c1)CCC2 ZINC000926967207 1128206598 /nfs/dbraw/zinc/20/65/98/1128206598.db2.gz QJABTEXHFNDOGB-HNNXBMFYSA-N 0 3 297.427 3.799 20 30 CHEDHN Cc1noc(C)c1CN(C)CCCCC1(C#N)CCC1 ZINC000929254106 1128266663 /nfs/dbraw/zinc/26/66/63/1128266663.db2.gz MYXJHSLXXSGMIT-UHFFFAOYSA-N 0 3 275.396 3.587 20 30 CHEDHN N#Cc1ccc(CN(C/C=C/c2ccncc2)C2CC2)cc1 ZINC000495079206 1128229021 /nfs/dbraw/zinc/22/90/21/1128229021.db2.gz NBMHDAUKJIMLMD-OWOJBTEDSA-N 0 3 289.382 3.631 20 30 CHEDHN CC[C@H](c1ccccc1)N(CC)Cc1cncc(C#N)c1 ZINC000929385138 1128272506 /nfs/dbraw/zinc/27/25/06/1128272506.db2.gz MWTGCNQVSJZBEG-GOSISDBHSA-N 0 3 279.387 3.926 20 30 CHEDHN CC(C)(C)CN(CCC#N)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929691729 1128282190 /nfs/dbraw/zinc/28/21/90/1128282190.db2.gz KJTIFXXLRKBYFF-CLLJXQQHSA-N 0 3 270.367 3.539 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cncc(C#N)c2)C1 ZINC000930473870 1128320527 /nfs/dbraw/zinc/32/05/27/1128320527.db2.gz DGPDQCCJXDQBIV-RDTXWAMCSA-N 0 3 277.371 3.536 20 30 CHEDHN N#Cc1cccc(C2(N[C@H]3CCc4ccccc43)CC2)c1 ZINC000272311761 1128326216 /nfs/dbraw/zinc/32/62/16/1128326216.db2.gz TXNWONPEPKFKAL-SFHVURJKSA-N 0 3 274.367 3.824 20 30 CHEDHN N#CC[C@H]1CCCN(C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000930925949 1128340554 /nfs/dbraw/zinc/34/05/54/1128340554.db2.gz XLBJVJSLAVSBQR-IAGOWNOFSA-N 0 3 290.451 3.884 20 30 CHEDHN C=CCC1(NCc2coc(C(C)(C)C)n2)CCCC1 ZINC000931022650 1128343569 /nfs/dbraw/zinc/34/35/69/1128343569.db2.gz ZMPJJLVNFYVIMP-UHFFFAOYSA-N 0 3 262.397 3.951 20 30 CHEDHN COc1ccc2c(c1)CCC[C@H]2NCc1cccc(C#N)c1 ZINC000193871643 1128357453 /nfs/dbraw/zinc/35/74/53/1128357453.db2.gz ANWZYJOJOGNPGL-LJQANCHMSA-N 0 3 292.382 3.734 20 30 CHEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CCC(C)(C)C ZINC001123338281 1128364183 /nfs/dbraw/zinc/36/41/83/1128364183.db2.gz ZQZWAUWQYZFZFT-QWHCGFSZSA-N 0 3 275.396 3.542 20 30 CHEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)Cc2ccccc21 ZINC000916151477 1128409971 /nfs/dbraw/zinc/40/99/71/1128409971.db2.gz IQHTUYSUHWUKLW-CQSZACIVSA-N 0 3 262.356 3.678 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)Cc2ccccc21 ZINC000916152744 1128410087 /nfs/dbraw/zinc/41/00/87/1128410087.db2.gz XRFPNRBOAKEXBR-CQSZACIVSA-N 0 3 262.356 3.678 20 30 CHEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)SC ZINC000778172840 1128435265 /nfs/dbraw/zinc/43/52/65/1128435265.db2.gz PRRYEPWVGPUPRS-UHFFFAOYSA-N 0 3 297.851 3.583 20 30 CHEDHN Cc1cncc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000933611411 1128439144 /nfs/dbraw/zinc/43/91/44/1128439144.db2.gz PHGKXYCYCJVDIT-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN CC(C)c1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933655870 1128439850 /nfs/dbraw/zinc/43/98/50/1128439850.db2.gz FEQLHMSATUOZKN-UHFFFAOYSA-N 0 3 299.414 3.648 20 30 CHEDHN C=CCN(CC=C)Cc1cc(C)nc2ccccc12 ZINC000124983527 1128446679 /nfs/dbraw/zinc/44/66/79/1128446679.db2.gz VIYYCIHKSOKZLL-UHFFFAOYSA-N 0 3 252.361 3.717 20 30 CHEDHN C=C(C)CN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000497152352 1128455805 /nfs/dbraw/zinc/45/58/05/1128455805.db2.gz XCNPHMLUHKMENR-UHFFFAOYSA-N 0 3 259.271 3.593 20 30 CHEDHN C#CCN(Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000917119754 1128484411 /nfs/dbraw/zinc/48/44/11/1128484411.db2.gz WAKNYFNRSLCVRO-LJQANCHMSA-N 0 3 261.368 3.809 20 30 CHEDHN CCCCCCCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000935884752 1128505768 /nfs/dbraw/zinc/50/57/68/1128505768.db2.gz ZKMYILKYEPPDIL-QGZVFWFLSA-N 0 3 290.451 3.766 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000564431264 1128508215 /nfs/dbraw/zinc/50/82/15/1128508215.db2.gz BKMHTSIXLWNEEP-GOSISDBHSA-N 0 3 262.356 3.644 20 30 CHEDHN Cc1cc(NC2=CC[C@@H](C#N)CC2)c2ccccc2n1 ZINC001212854614 1128599678 /nfs/dbraw/zinc/59/96/78/1128599678.db2.gz IUFHMJKTCVVTPD-CYBMUJFWSA-N 0 3 263.344 3.585 20 30 CHEDHN CC[C@@H](Cc1ccc(Cl)cc1)NC[C@H](C#N)CCC#N ZINC000569213841 1128601581 /nfs/dbraw/zinc/60/15/81/1128601581.db2.gz GCSMEOMPDJKRTA-HOCLYGCPSA-N 0 3 289.810 3.694 20 30 CHEDHN COc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000556604173 1128607958 /nfs/dbraw/zinc/60/79/58/1128607958.db2.gz ZPGDZUIRAVKZJC-AWEZNQCLSA-N 0 3 292.382 3.907 20 30 CHEDHN C#CCN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000157168457 1128649097 /nfs/dbraw/zinc/64/90/97/1128649097.db2.gz AXGCWUHVBCLJOD-GFCCVEGCSA-N 0 3 270.401 3.711 20 30 CHEDHN C=CC1CCN(Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000508889255 1128649610 /nfs/dbraw/zinc/64/96/10/1128649610.db2.gz KISXADZQTLDGCH-UHFFFAOYSA-N 0 3 274.408 3.657 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1C#N ZINC000157241176 1128651318 /nfs/dbraw/zinc/65/13/18/1128651318.db2.gz JLENWSROCNSETB-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2ncccc21 ZINC000601278350 1128707737 /nfs/dbraw/zinc/70/77/37/1128707737.db2.gz SCEOTPIOWKVEIZ-RBUKOAKNSA-N 0 3 289.382 3.608 20 30 CHEDHN CC[C@@H](C)N(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000578140241 1128708964 /nfs/dbraw/zinc/70/89/64/1128708964.db2.gz CZZLWOQTWOZECG-OAHLLOKOSA-N 0 3 279.387 3.754 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccccc2C)c1 ZINC000073012224 1117867569 /nfs/dbraw/zinc/86/75/69/1117867569.db2.gz GARNSQNDVIDUCG-GOSISDBHSA-N 0 3 294.398 3.966 20 30 CHEDHN N#Cc1ccc(CCN2CCc3cc(Cl)ccc3C2)cc1 ZINC001208927478 1117968715 /nfs/dbraw/zinc/96/87/15/1117968715.db2.gz KSKXXMSRXFJCTN-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccccc1 ZINC000165158146 1117985409 /nfs/dbraw/zinc/98/54/09/1117985409.db2.gz BKAMORCIVHUPSA-AWEZNQCLSA-N 0 3 250.345 3.718 20 30 CHEDHN C=CCCCCCCCCN1CCc2ncncc2C1 ZINC001209444329 1118061659 /nfs/dbraw/zinc/06/16/59/1118061659.db2.gz PJKLKGLITVPJIE-UHFFFAOYSA-N 0 3 273.424 3.751 20 30 CHEDHN CCc1nc(C)c([C@H](C)NCc2ccc(C#N)cc2)s1 ZINC000765013058 1118129519 /nfs/dbraw/zinc/12/95/19/1118129519.db2.gz QTQAXTGFKPYWMZ-NSHDSACASA-N 0 3 285.416 3.736 20 30 CHEDHN CCc1nc2c(s1)[C@@H](NCc1ccc(C#N)cc1)CCC2 ZINC000765011407 1118129673 /nfs/dbraw/zinc/12/96/73/1118129673.db2.gz ASGACJGJBWGLIA-AWEZNQCLSA-N 0 3 297.427 3.744 20 30 CHEDHN C[C@@H](NCC1=Cc2ccccc2OC1)c1cccc(C#N)c1 ZINC000610345147 1118337443 /nfs/dbraw/zinc/33/74/43/1118337443.db2.gz UVPCTAWVXAGTML-CQSZACIVSA-N 0 3 290.366 3.685 20 30 CHEDHN C[C@H](NCc1ccc2c(c1)CCC2)c1cccc(C#N)c1 ZINC000610344657 1118338169 /nfs/dbraw/zinc/33/81/69/1118338169.db2.gz DAXNYBCIDRKADN-AWEZNQCLSA-N 0 3 276.383 3.898 20 30 CHEDHN C=CCCCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000683784518 1118364068 /nfs/dbraw/zinc/36/40/68/1118364068.db2.gz HDCJDBCJUQZSAM-UHFFFAOYSA-N 0 3 269.392 3.709 20 30 CHEDHN C=CC[C@H](C)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001167360239 1118389891 /nfs/dbraw/zinc/38/98/91/1118389891.db2.gz KKCSORGTYAQKLD-UONOGXRCSA-N 0 3 294.389 3.608 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2cccc(F)c2)cc1 ZINC000160461375 1118426647 /nfs/dbraw/zinc/42/66/47/1118426647.db2.gz GQHXRWIBTBBXHS-CQSZACIVSA-N 0 3 298.361 3.749 20 30 CHEDHN C=CCCCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000471591058 1118475375 /nfs/dbraw/zinc/47/53/75/1118475375.db2.gz QLPVSYSVHJBWHT-QGZVFWFLSA-N 0 3 287.382 3.595 20 30 CHEDHN CN1CCC[C@H](NCc2ccc(C#N)cc2)c2ccccc21 ZINC000334576863 1118556239 /nfs/dbraw/zinc/55/62/39/1118556239.db2.gz AUUOBMJATAFBHL-SFHVURJKSA-N 0 3 291.398 3.619 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCNc3ccccc32)s1 ZINC000335567517 1118628062 /nfs/dbraw/zinc/62/80/62/1118628062.db2.gz JEBVHSAVAZXGMM-INIZCTEOSA-N 0 3 283.400 3.656 20 30 CHEDHN Cc1cc(CN[C@H](C)c2ccc3c(c2)CCO3)ccc1C#N ZINC000933489129 1118706171 /nfs/dbraw/zinc/70/61/71/1118706171.db2.gz PVSAAFOTEUJIDI-CQSZACIVSA-N 0 3 292.382 3.652 20 30 CHEDHN Cc1[nH]c2ccc(CNCc3ccc(C#N)cc3)cc2c1C ZINC000065013520 1118715379 /nfs/dbraw/zinc/71/53/79/1118715379.db2.gz KORMPCFJTXNUAE-UHFFFAOYSA-N 0 3 289.382 3.946 20 30 CHEDHN N#Cc1cc(F)cc(CN2CCC23CCCCC3)c1 ZINC000707345814 1118715931 /nfs/dbraw/zinc/71/59/31/1118715931.db2.gz HHDCTKQSDHTIDJ-UHFFFAOYSA-N 0 3 258.340 3.606 20 30 CHEDHN N#Cc1cc(CN2CC[C@@H](c3ccccc3)C2)cs1 ZINC000891631047 1118726858 /nfs/dbraw/zinc/72/68/58/1118726858.db2.gz SCOWUABTASXXKI-OAHLLOKOSA-N 0 3 268.385 3.609 20 30 CHEDHN CCN(CCC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000077266486 1128799350 /nfs/dbraw/zinc/79/93/50/1128799350.db2.gz GYJRLJHTXKWLRX-NSHDSACASA-N 0 3 270.298 3.894 20 30 CHEDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000610829985 1118897674 /nfs/dbraw/zinc/89/76/74/1118897674.db2.gz VRSTZQYOGIBKMG-DJJJIMSYSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCN(Cc1ccnc(C#N)c1)CC1CCCCC1 ZINC000610992866 1118918612 /nfs/dbraw/zinc/91/86/12/1118918612.db2.gz OUTRVXNRQAAAAS-UHFFFAOYSA-N 0 3 269.392 3.522 20 30 CHEDHN C[C@]1(c2ccccc2)CCCN(Cc2ccnc(C#N)c2)C1 ZINC000610993431 1118919292 /nfs/dbraw/zinc/91/92/92/1118919292.db2.gz RJIRYIIHZNZVGP-IBGZPJMESA-N 0 3 291.398 3.507 20 30 CHEDHN CC(C)[C@@H](C)N(C)Cc1ccc(C#N)cc1Cl ZINC000162868724 1118956504 /nfs/dbraw/zinc/95/65/04/1118956504.db2.gz OBQLTYCDRIKZFK-LLVKDONJSA-N 0 3 250.773 3.688 20 30 CHEDHN CCC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC001167509792 1118971909 /nfs/dbraw/zinc/97/19/09/1118971909.db2.gz QBHIRZHOOPGQTK-SFHVURJKSA-N 0 3 286.419 3.969 20 30 CHEDHN Cc1ccc([C@H](C)NCC#Cc2ccccc2)s1 ZINC000051814292 1119142632 /nfs/dbraw/zinc/14/26/32/1119142632.db2.gz QVRHYRUBPPXIJP-AWEZNQCLSA-N 0 3 255.386 3.759 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3ccccc32)s1 ZINC000135666591 1119206294 /nfs/dbraw/zinc/20/62/94/1119206294.db2.gz ZVRMWDJUXCLTPT-INIZCTEOSA-N 0 3 268.385 3.787 20 30 CHEDHN C=CCC1(NCc2csc(C(C)(C)C)n2)CCOCC1 ZINC000657633802 1119217179 /nfs/dbraw/zinc/21/71/79/1119217179.db2.gz XKAMQMPUMMFKOJ-UHFFFAOYSA-N 0 3 294.464 3.656 20 30 CHEDHN N#Cc1ccccc1CNc1ccncc1-c1ccccc1 ZINC001167634193 1119249273 /nfs/dbraw/zinc/24/92/73/1119249273.db2.gz SLPWFPJXUWAGGV-UHFFFAOYSA-N 0 3 285.350 3.654 20 30 CHEDHN Cc1cccc([C@H]2CCCN2CC2(C#N)CC2)c1C ZINC000343319740 1119384933 /nfs/dbraw/zinc/38/49/33/1119384933.db2.gz JDXCRWMBYQLJTC-MRXNPFEDSA-N 0 3 254.377 3.744 20 30 CHEDHN CCCN(CC1(C#N)CC1)[C@@H]1CCc2ccccc21 ZINC000343324840 1119385715 /nfs/dbraw/zinc/38/57/15/1119385715.db2.gz YBIUZIZPQZGYND-MRXNPFEDSA-N 0 3 254.377 3.690 20 30 CHEDHN Cc1ccc(CN(C)Cc2ccc(CC#N)cc2)s1 ZINC000343561879 1119454813 /nfs/dbraw/zinc/45/48/13/1119454813.db2.gz XDTPXFGBVJUPFD-UHFFFAOYSA-N 0 3 270.401 3.755 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(OC)c2)cc1 ZINC000158641490 1119459273 /nfs/dbraw/zinc/45/92/73/1119459273.db2.gz IGZRRVKBQGQSGD-OAHLLOKOSA-N 0 3 295.382 3.558 20 30 CHEDHN Cc1cccc2c1CN(Cc1ccc(C#N)cc1C)CC2 ZINC000617567005 1128847433 /nfs/dbraw/zinc/84/74/33/1128847433.db2.gz PRLRRMBJDJJFEQ-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000133202546 1119465335 /nfs/dbraw/zinc/46/53/35/1119465335.db2.gz QEYVDUNSHYKBPB-ZIAGYGMSSA-N 0 3 281.403 3.616 20 30 CHEDHN C=CCCC[C@@H](C)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000091633064 1119557541 /nfs/dbraw/zinc/55/75/41/1119557541.db2.gz PKMOYJSGFAZBRV-LLVKDONJSA-N 0 3 289.345 3.616 20 30 CHEDHN C=CCN(Cc1oc(C)nc1C)CC1CCCCC1 ZINC000685564136 1119631239 /nfs/dbraw/zinc/63/12/39/1119631239.db2.gz NFLYRTOTOCWFSU-UHFFFAOYSA-N 0 3 262.397 3.860 20 30 CHEDHN CC(C)C[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000307770496 1119655247 /nfs/dbraw/zinc/65/52/47/1119655247.db2.gz FROBFMMLUABPQY-CYBMUJFWSA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@@H](NCC1=Cc2ccccc2OC1)c1ccc(C#N)cc1 ZINC000102424767 1119666097 /nfs/dbraw/zinc/66/60/97/1119666097.db2.gz QLRLOVYOJBVTGB-CQSZACIVSA-N 0 3 290.366 3.685 20 30 CHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2)s1 ZINC000658332714 1119729093 /nfs/dbraw/zinc/72/90/93/1119729093.db2.gz GFYUKHQKAFVFAO-TZMCWYRMSA-N 0 3 273.401 3.613 20 30 CHEDHN N#CC(C(=O)C=CSc1ccccc1)c1ccccn1 ZINC000255848354 1119766664 /nfs/dbraw/zinc/76/66/64/1119766664.db2.gz XAMJAAMOHDTVIC-RBJHHQRMSA-N 0 3 280.352 3.564 20 30 CHEDHN N#Cc1ccc(C[N@@H+](Cc2cc(F)ccc2[O-])C2CC2)cc1 ZINC000179925204 1119798057 /nfs/dbraw/zinc/79/80/57/1119798057.db2.gz QNYMAOGDEPZDSR-UHFFFAOYSA-N 0 3 296.345 3.568 20 30 CHEDHN N#Cc1ccc(C[N@H+](Cc2cc(F)ccc2[O-])C2CC2)cc1 ZINC000179925204 1119798059 /nfs/dbraw/zinc/79/80/59/1119798059.db2.gz QNYMAOGDEPZDSR-UHFFFAOYSA-N 0 3 296.345 3.568 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@H](O)c1ccc(F)cc1 ZINC000066348934 1119867355 /nfs/dbraw/zinc/86/73/55/1119867355.db2.gz MJFXOXBUDANFKD-INIZCTEOSA-N 0 3 291.391 3.609 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1cc(F)c(F)c(F)c1 ZINC000414161934 1119921956 /nfs/dbraw/zinc/92/19/56/1119921956.db2.gz GKPPHKPXRZEOQH-VIFPVBQESA-N 0 3 270.298 3.694 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CC(C)(C)Cc2occc21 ZINC000414166356 1119923953 /nfs/dbraw/zinc/92/39/53/1119923953.db2.gz NKGGUXJSRHVDTK-ZDUSSCGKSA-N 0 3 260.381 3.823 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1cc(-c2ccccc2)nn1C ZINC000414172537 1119925914 /nfs/dbraw/zinc/92/59/14/1119925914.db2.gz WCPOLYDCZNAOMP-CQSZACIVSA-N 0 3 296.418 3.678 20 30 CHEDHN C=CC(C)(C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000892553778 1119935853 /nfs/dbraw/zinc/93/58/53/1119935853.db2.gz VGXTYPWDLXWKPF-NSHDSACASA-N 0 3 268.316 3.606 20 30 CHEDHN CC[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(C#N)cc1 ZINC000414310720 1119977027 /nfs/dbraw/zinc/97/70/27/1119977027.db2.gz LLFXJEQSZMTIGA-BZUAXINKSA-N 0 3 260.356 3.880 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000659023005 1119994054 /nfs/dbraw/zinc/99/40/54/1119994054.db2.gz RVELMPINJAFYTP-DYVFJYSZSA-N 0 3 299.418 3.546 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCC1(F)F ZINC000589278462 1120071791 /nfs/dbraw/zinc/07/17/91/1120071791.db2.gz PVIOXOHMBJEBKH-CYBMUJFWSA-N 0 3 292.373 3.965 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000589514753 1120081322 /nfs/dbraw/zinc/08/13/22/1120081322.db2.gz KQRCMFPVYLYFIQ-DOMZBBRYSA-N 0 3 294.320 3.951 20 30 CHEDHN C[C@H]1c2ccccc2CCN1Cc1ccc(C#N)cc1 ZINC000106862202 1120108623 /nfs/dbraw/zinc/10/86/23/1120108623.db2.gz NHKSHVCTSCJFOH-AWEZNQCLSA-N 0 3 262.356 3.678 20 30 CHEDHN COc1ccc([C@H](C)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000073986183 1120225867 /nfs/dbraw/zinc/22/58/67/1120225867.db2.gz VQIZIECFJIGMQM-AWEZNQCLSA-N 0 3 280.371 3.760 20 30 CHEDHN C=CC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111259140 1120258204 /nfs/dbraw/zinc/25/82/04/1120258204.db2.gz VYHORSDQOPLYEQ-GFCCVEGCSA-N 0 3 260.337 3.554 20 30 CHEDHN C=CCC[C@H](NCc1cnn(CCF)c1)c1ccccc1 ZINC000921918982 1120281151 /nfs/dbraw/zinc/28/11/51/1120281151.db2.gz YTQZGWPYSQWOMS-KRWDZBQOSA-N 0 3 287.382 3.650 20 30 CHEDHN C#CC[C@H](NCc1ccc(OC)cc1C)c1ccccc1 ZINC000921935203 1120289731 /nfs/dbraw/zinc/28/97/31/1120289731.db2.gz JOIRSPWJSVTWCR-IBGZPJMESA-N 0 3 279.383 3.858 20 30 CHEDHN Cc1ccc(CN(C)Cc2cccc(C#N)c2)s1 ZINC000077211107 1120319021 /nfs/dbraw/zinc/31/90/21/1120319021.db2.gz MIFFXGYZBSZVGC-UHFFFAOYSA-N 0 3 256.374 3.560 20 30 CHEDHN N#Cc1cccc(CCNCc2ccsc2Cl)c1 ZINC000341484929 1120373261 /nfs/dbraw/zinc/37/32/61/1120373261.db2.gz LMSBSJYFNVCJQH-UHFFFAOYSA-N 0 3 276.792 3.605 20 30 CHEDHN C#CCOc1ccccc1CNC/C=C/c1ccccc1 ZINC000236687012 1120379412 /nfs/dbraw/zinc/37/94/12/1120379412.db2.gz DAIFEDNUYNKMNP-DHZHZOJOSA-N 0 3 277.367 3.502 20 30 CHEDHN Cc1cccc([C@H]2CCN(Cc3ccccc3C#N)C2)c1 ZINC000543247168 1120474981 /nfs/dbraw/zinc/47/49/81/1120474981.db2.gz UUKPWHMBTVALHH-IBGZPJMESA-N 0 3 276.383 3.856 20 30 CHEDHN N#Cc1cc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)cs1 ZINC000922222749 1120476941 /nfs/dbraw/zinc/47/69/41/1120476941.db2.gz STDNMRILZHABFL-WBVHZDCISA-N 0 3 298.411 3.630 20 30 CHEDHN CN(CCCOc1ccccc1)Cc1cc(C#N)cs1 ZINC000091899553 1120536165 /nfs/dbraw/zinc/53/61/65/1120536165.db2.gz QOMDRBFIIBGMFN-UHFFFAOYSA-N 0 3 286.400 3.521 20 30 CHEDHN N#CC(C(=O)[C@H]1CC12CCC2)c1ccc2ccccc2n1 ZINC000759815912 1120553389 /nfs/dbraw/zinc/55/33/89/1120553389.db2.gz VBSZOLGIJTWKSC-UONOGXRCSA-N 0 3 276.339 3.601 20 30 CHEDHN Cc1cc(F)ccc1[C@@H](C)NCc1cc(C#N)cs1 ZINC000922665548 1120575918 /nfs/dbraw/zinc/57/59/18/1120575918.db2.gz OCUVXTNUXNSXJL-LLVKDONJSA-N 0 3 274.364 3.918 20 30 CHEDHN Cc1cc(F)ccc1CN(C)Cc1ccc(C#N)cc1 ZINC000131185219 1120650472 /nfs/dbraw/zinc/65/04/72/1120650472.db2.gz FAPRGQWBWZNNTL-UHFFFAOYSA-N 0 3 268.335 3.638 20 30 CHEDHN C=CC[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccncc1 ZINC000766019954 1120664130 /nfs/dbraw/zinc/66/41/30/1120664130.db2.gz OAARFCFVZIZPJC-BBRMVZONSA-N 0 3 296.370 3.778 20 30 CHEDHN C=CCN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429157516 1120690316 /nfs/dbraw/zinc/69/03/16/1120690316.db2.gz VKMGFIDABYCMDG-CYBMUJFWSA-N 0 3 253.798 3.692 20 30 CHEDHN CC(C)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162933289 1120697207 /nfs/dbraw/zinc/69/72/07/1120697207.db2.gz FKZOTXKHTBJBPZ-ZDUSSCGKSA-N 0 3 262.784 3.690 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000661114977 1120718583 /nfs/dbraw/zinc/71/85/83/1120718583.db2.gz NSIUBXHHVHYQDE-OCCSQVGLSA-N 0 3 260.381 3.777 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccco2)o1 ZINC000661117036 1120720521 /nfs/dbraw/zinc/72/05/21/1120720521.db2.gz CLMRPNLQQGTSBM-STQMWFEESA-N 0 3 287.363 3.554 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618802379 1128938547 /nfs/dbraw/zinc/93/85/47/1128938547.db2.gz JFEDBKBNUKTKGX-UGSOOPFHSA-N 0 3 277.371 3.600 20 30 CHEDHN COc1cccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618802226 1128939516 /nfs/dbraw/zinc/93/95/16/1128939516.db2.gz DAGSMUXVLKNOEL-YJYMSZOUSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCC1(NCc2nc(-c3ccsc3)no2)CCCC1 ZINC000661848243 1120824631 /nfs/dbraw/zinc/82/46/31/1120824631.db2.gz CPGIQQKQBDHXLQ-UHFFFAOYSA-N 0 3 289.404 3.777 20 30 CHEDHN C=CCC1(NCc2csc([C@H](C)OC)n2)CCCC1 ZINC000661862929 1120826986 /nfs/dbraw/zinc/82/69/86/1120826986.db2.gz JAEKPCPJABJWSJ-LBPRGKRZSA-N 0 3 280.437 3.829 20 30 CHEDHN C[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1ccccc1[O-] ZINC000931555319 1120843980 /nfs/dbraw/zinc/84/39/80/1120843980.db2.gz XHONJOSDLHRWLI-CQSZACIVSA-N 0 3 272.392 3.907 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000662078319 1120871265 /nfs/dbraw/zinc/87/12/65/1120871265.db2.gz AKNYGSWZDHVZSG-BMFZPTHFSA-N 0 3 295.386 3.981 20 30 CHEDHN CC12CC(C1)CN2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000662383622 1120932798 /nfs/dbraw/zinc/93/27/98/1120932798.db2.gz MTKAGMRSUWYFFI-UHFFFAOYSA-N 0 3 279.305 3.541 20 30 CHEDHN C[C@H](CCC#N)CN(C)Cc1nc2ccccc2s1 ZINC000602433640 1120935058 /nfs/dbraw/zinc/93/50/58/1120935058.db2.gz AAHVDVOPDZUZIJ-GFCCVEGCSA-N 0 3 273.405 3.668 20 30 CHEDHN CC(C)[C@@H]1CCCN1CC#Cc1ccccc1Cl ZINC001641865684 1128950651 /nfs/dbraw/zinc/95/06/51/1128950651.db2.gz KZMYIRHXXTYUDB-INIZCTEOSA-N 0 3 261.796 3.812 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cnc2ccccn12 ZINC000512037704 1121028885 /nfs/dbraw/zinc/02/88/85/1121028885.db2.gz HAXDJNNVFCMAPW-UHFFFAOYSA-N 0 3 291.398 3.565 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ccc(Cl)cc2OC)C1 ZINC001174890762 1121080669 /nfs/dbraw/zinc/08/06/69/1121080669.db2.gz KVEBMGPUDBNCSB-LBPRGKRZSA-N 0 3 265.784 3.747 20 30 CHEDHN COCc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000038010750 1121094417 /nfs/dbraw/zinc/09/44/17/1121094417.db2.gz CIRJTTKCADLZLR-AWEZNQCLSA-N 0 3 280.371 3.555 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C2CC2)s1 ZINC000658033433 1121121648 /nfs/dbraw/zinc/12/16/48/1121121648.db2.gz BHURPYGLGKDJOB-YPMHNXCESA-N 0 3 277.437 3.640 20 30 CHEDHN C[C@H](NCc1ccc2cnccc2c1)c1ccc(C#N)cc1 ZINC000319154875 1121234331 /nfs/dbraw/zinc/23/43/31/1121234331.db2.gz XEPUQRBBZKGAKY-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN C[C@H](NCc1cccc2cccnc21)c1cccc(C#N)c1 ZINC000174431894 1121284875 /nfs/dbraw/zinc/28/48/75/1121284875.db2.gz OEIPQRZZIHWULU-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN CCC#C[C@@H](C)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC001168757453 1121298669 /nfs/dbraw/zinc/29/86/69/1121298669.db2.gz FJOARUUVBOORGN-CXAGYDPISA-N 0 3 259.368 3.977 20 30 CHEDHN N#CCCCCNCc1csc(-c2cccs2)n1 ZINC000237818472 1121389955 /nfs/dbraw/zinc/38/99/55/1121389955.db2.gz YMGTZFWVSXBDMH-UHFFFAOYSA-N 0 3 277.418 3.655 20 30 CHEDHN CCCCCCCN1CCN(CCCOC(C)(C)C)CC1 ZINC001175733777 1121441960 /nfs/dbraw/zinc/44/19/60/1121441960.db2.gz QHNKQDIJDSLPDV-UHFFFAOYSA-N 0 3 298.515 3.780 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@](C)(C(F)(F)F)C1 ZINC000708719208 1121466336 /nfs/dbraw/zinc/46/63/36/1121466336.db2.gz KNUIBIOQCXQQNE-AWEZNQCLSA-N 0 3 282.309 3.641 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000843423235 1121479098 /nfs/dbraw/zinc/47/90/98/1121479098.db2.gz AOMHGWIABYJOQE-CYBMUJFWSA-N 0 3 276.449 3.676 20 30 CHEDHN C#CCC1(NCc2ccc(CSC(F)F)o2)CCC1 ZINC000923000640 1121506739 /nfs/dbraw/zinc/50/67/39/1121506739.db2.gz NDIRQOHQNRPUIA-UHFFFAOYSA-N 0 3 285.359 3.771 20 30 CHEDHN C=CCC(C)(C)CNCc1nc2cc(F)ccc2o1 ZINC000634981714 1121535370 /nfs/dbraw/zinc/53/53/70/1121535370.db2.gz QBQYZASVFZXJKX-UHFFFAOYSA-N 0 3 262.328 3.659 20 30 CHEDHN CC(C)C[C@H](Cc1cccc(Cl)c1)NCCC#N ZINC000426006036 1121535711 /nfs/dbraw/zinc/53/57/11/1121535711.db2.gz UZALVOKMWOUPBQ-OAHLLOKOSA-N 0 3 264.800 3.800 20 30 CHEDHN C=CCN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000113009345 1121591997 /nfs/dbraw/zinc/59/19/97/1121591997.db2.gz DPIRQLIHXDIZCY-UHFFFAOYSA-N 0 3 280.371 3.557 20 30 CHEDHN C[C@H](Cc1cccc(C(F)(F)F)c1)NCC(C)(C)C#N ZINC000619612194 1128998414 /nfs/dbraw/zinc/99/84/14/1128998414.db2.gz CREWESCEUYVJPX-LLVKDONJSA-N 0 3 284.325 3.776 20 30 CHEDHN C#CCN(C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCCc2ccccc21 ZINC001176454043 1121633295 /nfs/dbraw/zinc/63/32/95/1121633295.db2.gz YJZLLHWLUXKEBY-HHXXYDBFSA-N 0 3 283.415 3.567 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OC2CCC2)CC1 ZINC000419303214 1121634314 /nfs/dbraw/zinc/63/43/14/1121634314.db2.gz NWPOERNYHJVVFW-AWEZNQCLSA-N 0 3 284.403 3.653 20 30 CHEDHN N#Cc1cc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)ccn1 ZINC000611433471 1121647338 /nfs/dbraw/zinc/64/73/38/1121647338.db2.gz NTVRVMUJUFMMOI-QGZVFWFLSA-N 0 3 297.789 3.848 20 30 CHEDHN C=CC[C@H]1CCN1Cc1ccc(C(C)C)nc1CC ZINC001176814464 1121696289 /nfs/dbraw/zinc/69/62/89/1121696289.db2.gz NJNLTPSCYILUSH-HNNXBMFYSA-N 0 3 258.409 3.918 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCO[C@H](C(C)(C)C)CC1 ZINC001176995578 1121705935 /nfs/dbraw/zinc/70/59/35/1121705935.db2.gz NCCRHHGMSFXMES-KRWDZBQOSA-N 0 3 286.419 3.504 20 30 CHEDHN Cc1cc(C#N)ccc1CN(Cc1ccccn1)C(C)C ZINC000614397705 1121707965 /nfs/dbraw/zinc/70/79/65/1121707965.db2.gz SBBKNYTXPZZWGT-UHFFFAOYSA-N 0 3 279.387 3.672 20 30 CHEDHN CC(C)c1cccnc1NC(=O)C(C#N)Cc1cccs1 ZINC001177909367 1121757211 /nfs/dbraw/zinc/75/72/11/1121757211.db2.gz UMPDPMZDAFRYMO-GFCCVEGCSA-N 0 3 299.399 3.587 20 30 CHEDHN COc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1F ZINC000022817886 1121792155 /nfs/dbraw/zinc/79/21/55/1121792155.db2.gz HTNDZKVKTBHKPT-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN C=CCC(C)(C)CNCc1c(OC)cc(F)cc1OC ZINC001178795241 1121818195 /nfs/dbraw/zinc/81/81/95/1121818195.db2.gz JCUOZMXHFGSBSJ-UHFFFAOYSA-N 0 3 281.371 3.535 20 30 CHEDHN CCc1oc2ccccc2c1CNCC1(CC#N)CC1 ZINC000430023903 1121826190 /nfs/dbraw/zinc/82/61/90/1121826190.db2.gz RGQUUSAXHGCZPI-UHFFFAOYSA-N 0 3 268.360 3.779 20 30 CHEDHN N#CCC1(CNCc2cnc(C3CCCC3)s2)CC1 ZINC000430024077 1121826598 /nfs/dbraw/zinc/82/65/98/1121826598.db2.gz YUEALDUSAGLGHX-UHFFFAOYSA-N 0 3 275.421 3.584 20 30 CHEDHN N#CC(C(=O)C1CCSCC1)c1ccc2ccccc2n1 ZINC000733052953 1121953212 /nfs/dbraw/zinc/95/32/12/1121953212.db2.gz HEJFSSGYRHTLBX-CQSZACIVSA-N 0 3 296.395 3.554 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000501254652 1121964467 /nfs/dbraw/zinc/96/44/67/1121964467.db2.gz SGUJJOIEHADNJU-NVXWUHKLSA-N 0 3 284.403 3.721 20 30 CHEDHN C#CCCOc1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000733328665 1121978527 /nfs/dbraw/zinc/97/85/27/1121978527.db2.gz XPQAFJMNPFQMTH-UHFFFAOYSA-N 0 3 291.394 3.868 20 30 CHEDHN CCCCCCCC[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204275008 1121996508 /nfs/dbraw/zinc/99/65/08/1121996508.db2.gz LDYXPJWOXFKBSL-UHFFFAOYSA-N 0 3 265.397 3.890 20 30 CHEDHN CCCCCCCC[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204275008 1121996517 /nfs/dbraw/zinc/99/65/17/1121996517.db2.gz LDYXPJWOXFKBSL-UHFFFAOYSA-N 0 3 265.397 3.890 20 30 CHEDHN C=C(C)CN(Cc1ccco1)Cc1ccccc1O ZINC000070975157 1129024985 /nfs/dbraw/zinc/02/49/85/1129024985.db2.gz VPARTBCSAVGVRL-UHFFFAOYSA-N 0 3 257.333 3.564 20 30 CHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000618807433 1122067696 /nfs/dbraw/zinc/06/76/96/1122067696.db2.gz YTZZUYFIYCJDPR-DJJJIMSYSA-N 0 3 287.366 3.768 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)NCc1nc(C)cs1 ZINC000414541457 1122147975 /nfs/dbraw/zinc/14/79/75/1122147975.db2.gz WBDPISOXIUPRNU-OAHLLOKOSA-N 0 3 272.417 3.729 20 30 CHEDHN CCCCCCCCC[C@@H](C)N1CC(N2CCOCC2)C1 ZINC001258229295 1129038770 /nfs/dbraw/zinc/03/87/70/1129038770.db2.gz PQICIMBOCXWPKN-QGZVFWFLSA-N 0 3 296.499 3.532 20 30 CHEDHN C=CCc1cc(C[N@H+]2CC[C@H](C)[C@H]2CC)c([O-])c(OC)c1 ZINC000774620200 1122218924 /nfs/dbraw/zinc/21/89/24/1122218924.db2.gz VNVJJBWPCXDQJS-XJKSGUPXSA-N 0 3 289.419 3.750 20 30 CHEDHN C=CCc1cc(C[N@@H+]2CC[C@H](C)[C@H]2CC)c([O-])c(OC)c1 ZINC000774620200 1122218928 /nfs/dbraw/zinc/21/89/28/1122218928.db2.gz VNVJJBWPCXDQJS-XJKSGUPXSA-N 0 3 289.419 3.750 20 30 CHEDHN CN(Cc1cc(C#N)cs1)Cc1cccc2ccoc21 ZINC001184035502 1122252442 /nfs/dbraw/zinc/25/24/42/1122252442.db2.gz OEQNYHAYMIHZLC-UHFFFAOYSA-N 0 3 282.368 3.998 20 30 CHEDHN C=CCOc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000430095952 1122403354 /nfs/dbraw/zinc/40/33/54/1122403354.db2.gz QOFJNWAKNKLFKG-CVEARBPZSA-N 0 3 293.357 3.729 20 30 CHEDHN C=CCCCCCN1CCc2cc(OC)c(OC)cc2C1 ZINC001190310611 1122532309 /nfs/dbraw/zinc/53/23/09/1122532309.db2.gz NWQOMLNPZOQTIU-UHFFFAOYSA-N 0 3 289.419 3.808 20 30 CHEDHN CCCCCN(CCCOC)Cc1ccccc1C#N ZINC000505850567 1122564406 /nfs/dbraw/zinc/56/44/06/1122564406.db2.gz HORJBWFDGZIXMR-UHFFFAOYSA-N 0 3 274.408 3.587 20 30 CHEDHN CCCCCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC001191104444 1122572341 /nfs/dbraw/zinc/57/23/41/1122572341.db2.gz GLNMEOSEOBJBDX-UHFFFAOYSA-N 0 3 291.439 3.840 20 30 CHEDHN CC[C@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1OC(F)F ZINC000437633763 1122646970 /nfs/dbraw/zinc/64/69/70/1122646970.db2.gz YOKDYSOCTVESCH-FZMZJTMJSA-N 0 3 294.345 3.780 20 30 CHEDHN Cc1ccccc1[C@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000775551161 1122660071 /nfs/dbraw/zinc/66/00/71/1122660071.db2.gz UDWOHTSVMPULKZ-RTBURBONSA-N 0 3 294.398 3.663 20 30 CHEDHN C=CCC[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1 ZINC000158810301 1122717121 /nfs/dbraw/zinc/71/71/21/1122717121.db2.gz HTNYYTICWVJLOV-SFHVURJKSA-N 0 3 294.398 3.583 20 30 CHEDHN C=C(C)CCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000775601513 1122748090 /nfs/dbraw/zinc/74/80/90/1122748090.db2.gz CRDFTYFOLOOWCU-HLLBOEOZSA-N 0 3 259.393 3.803 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2cc(C)ccc2OC(F)F)C1 ZINC001195462844 1122870425 /nfs/dbraw/zinc/87/04/25/1122870425.db2.gz FGQKTLNYRYDGTO-CQSZACIVSA-N 0 3 293.357 3.832 20 30 CHEDHN C=CCCN(Cc1[nH]c(CC)nc1C)Cc1ccccc1 ZINC001203242445 1122957724 /nfs/dbraw/zinc/95/77/24/1122957724.db2.gz AQXSPGYWXMXVPO-UHFFFAOYSA-N 0 3 283.419 3.859 20 30 CHEDHN N#Cc1cccc(CNCc2cnc3c(F)cccc3c2)c1 ZINC001199178963 1123022805 /nfs/dbraw/zinc/02/28/05/1123022805.db2.gz PEMUTRTYTQJUGK-UHFFFAOYSA-N 0 3 291.329 3.535 20 30 CHEDHN C[C@@H](N(C)CC#Cc1ccccc1Cl)C1(C)CC1 ZINC000441172050 1123063859 /nfs/dbraw/zinc/06/38/59/1123063859.db2.gz MVSDDFSROLSCPK-CYBMUJFWSA-N 0 3 261.796 3.812 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccc(C)s1 ZINC000049158972 1123132831 /nfs/dbraw/zinc/13/28/31/1123132831.db2.gz ZPJMNSZGPHTOJP-AWEZNQCLSA-N 0 3 285.412 3.919 20 30 CHEDHN CCCCCCCN1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001201761840 1123148498 /nfs/dbraw/zinc/14/84/98/1123148498.db2.gz SBQSGLCWFVQRIW-CABCVRRESA-N 0 3 251.414 3.790 20 30 CHEDHN CCCCCCCCN1CCN(c2cccnc2)CC1 ZINC001201804558 1123151288 /nfs/dbraw/zinc/15/12/88/1123151288.db2.gz OWPLXGYRROPUAH-UHFFFAOYSA-N 0 3 275.440 3.564 20 30 CHEDHN CCCCCCCCCN1CCc2ncn(C)c2C1 ZINC001201853014 1123152605 /nfs/dbraw/zinc/15/26/05/1123152605.db2.gz XXVNZWPYLHJXQC-UHFFFAOYSA-N 0 3 263.429 3.529 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CC(F)(F)F)c2ccccc2)C1 ZINC000442714490 1123195241 /nfs/dbraw/zinc/19/52/41/1123195241.db2.gz LQKKXZKLOIRKDO-BNOWGMLFSA-N 0 3 282.309 3.962 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)NCc1c(F)cc(F)c(F)c1F ZINC000430743074 1123229474 /nfs/dbraw/zinc/22/94/74/1123229474.db2.gz NRWGFFRUZYTNDB-RKDXNWHRSA-N 0 3 275.289 3.933 20 30 CHEDHN C=CCCNCc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000850354407 1123255601 /nfs/dbraw/zinc/25/56/01/1123255601.db2.gz GRLACPPBFSIIHO-UHFFFAOYSA-N 0 3 293.773 3.639 20 30 CHEDHN Cc1ccc2ncc(CN3CCC(CC#N)CC3)cc2c1 ZINC000334568194 1123260038 /nfs/dbraw/zinc/26/00/38/1123260038.db2.gz WXCBMPCNUHWNOF-UHFFFAOYSA-N 0 3 279.387 3.669 20 30 CHEDHN C=CCOc1ccc(CNCc2cc(C)c(O)c(C)c2)cc1 ZINC000508088568 1123262938 /nfs/dbraw/zinc/26/29/38/1123262938.db2.gz OHOIBZRLGOZOMG-UHFFFAOYSA-N 0 3 297.398 3.864 20 30 CHEDHN CC[C@H](NCC1(C#N)CCCCC1)c1ccccc1O ZINC000850550314 1123288984 /nfs/dbraw/zinc/28/89/84/1123288984.db2.gz OZIRGHIXFSILHN-HNNXBMFYSA-N 0 3 272.392 3.907 20 30 CHEDHN CC[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccccc1[O-] ZINC000850550314 1123288988 /nfs/dbraw/zinc/28/89/88/1123288988.db2.gz OZIRGHIXFSILHN-HNNXBMFYSA-N 0 3 272.392 3.907 20 30 CHEDHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C#N)cc1Cl ZINC000059422214 1123309379 /nfs/dbraw/zinc/30/93/79/1123309379.db2.gz QHXGWGWMKPXROT-NWDGAFQWSA-N 0 3 262.784 3.832 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000442782610 1123337804 /nfs/dbraw/zinc/33/78/04/1123337804.db2.gz LJFZJXFGXOFZNT-GOEBONIOSA-N 0 3 293.370 3.656 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000442782612 1123338194 /nfs/dbraw/zinc/33/81/94/1123338194.db2.gz LJFZJXFGXOFZNT-ZBFHGGJFSA-N 0 3 293.370 3.656 20 30 CHEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OCC2CC2)c1 ZINC000442781108 1123338363 /nfs/dbraw/zinc/33/83/63/1123338363.db2.gz LYORQDVKQBCPCA-DOTOQJQBSA-N 0 3 284.403 3.566 20 30 CHEDHN N#C[C@H]1CC[C@@H](N2CCC(c3cccc(F)c3F)CC2)C1 ZINC000335665999 1123389897 /nfs/dbraw/zinc/38/98/97/1123389897.db2.gz NBOHUYSXZZWQOS-GXTWGEPZSA-N 0 3 290.357 3.836 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852410107 1123404310 /nfs/dbraw/zinc/40/43/10/1123404310.db2.gz IADYUTVNEBECME-GFCCVEGCSA-N 0 3 278.327 3.522 20 30 CHEDHN C=C(Cl)CN[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852727988 1123414154 /nfs/dbraw/zinc/41/41/54/1123414154.db2.gz VYCFXRSYKTXVSI-ZIAGYGMSSA-N 0 3 288.218 3.740 20 30 CHEDHN CSc1ccc(CN(C)CCc2cccc(C#N)c2)o1 ZINC000895451743 1123481682 /nfs/dbraw/zinc/48/16/82/1123481682.db2.gz MDLXSZMGTRMMSN-UHFFFAOYSA-N 0 3 286.400 3.548 20 30 CHEDHN FC1(F)[C@@H](CNCC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000896888000 1123662918 /nfs/dbraw/zinc/66/29/18/1123662918.db2.gz VPFFSPWWUDAJBX-ROUUACIJSA-N 0 3 297.348 3.677 20 30 CHEDHN C=CC[C@@H](C)N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346620423 1123698554 /nfs/dbraw/zinc/69/85/54/1123698554.db2.gz IJFFVMFTJLYKBX-CXAGYDPISA-N 0 3 270.351 3.864 20 30 CHEDHN Cc1cc(Cl)c2c(c1)[C@H](NCCCC#N)CCCO2 ZINC000346804327 1123715196 /nfs/dbraw/zinc/71/51/96/1123715196.db2.gz HDYHVLOOVRXYME-CQSZACIVSA-N 0 3 278.783 3.756 20 30 CHEDHN CC(C)c1ccc2c(c1)[C@H](NCCCC#N)CCCO2 ZINC000346802551 1123715602 /nfs/dbraw/zinc/71/56/02/1123715602.db2.gz CVPDLFIELMFMHZ-MRXNPFEDSA-N 0 3 272.392 3.917 20 30 CHEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1ccns1 ZINC000860060953 1123720478 /nfs/dbraw/zinc/72/04/78/1123720478.db2.gz CILBCWUYHADLCD-GFCCVEGCSA-N 0 3 263.410 3.658 20 30 CHEDHN COc1cc(CN[C@@H](C)c2ccc(F)c(C)c2)ccc1C#N ZINC000281648782 1123733919 /nfs/dbraw/zinc/73/39/19/1123733919.db2.gz JPRDBXFFKUGYOK-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN Cc1onc(-c2ccccc2)c1CN1CCC[C@H](CC#N)C1 ZINC001141988231 1123796434 /nfs/dbraw/zinc/79/64/34/1123796434.db2.gz MUMTXGDAYDJKNK-OAHLLOKOSA-N 0 3 295.386 3.776 20 30 CHEDHN C#C[C@H](N[C@H](C)C1CC(F)(F)C1)c1ccc(F)cc1 ZINC000862373577 1123804817 /nfs/dbraw/zinc/80/48/17/1123804817.db2.gz GJSOHHZTUJKRHW-YGRLFVJLSA-N 0 3 267.294 3.523 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000862444133 1123812038 /nfs/dbraw/zinc/81/20/38/1123812038.db2.gz YHFVKRWQNXYWON-LLVKDONJSA-N 0 3 285.359 3.581 20 30 CHEDHN C#CC[C@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000862444436 1123812074 /nfs/dbraw/zinc/81/20/74/1123812074.db2.gz AHOXEDQQPQEPIN-AWEZNQCLSA-N 0 3 282.412 3.655 20 30 CHEDHN N#Cc1cccc(CN2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800980 1123856020 /nfs/dbraw/zinc/85/60/20/1123856020.db2.gz ZEOCIMHYOSOKAF-SFHVURJKSA-N 0 3 294.423 3.848 20 30 CHEDHN C=C[C@](C)(O)CNC(C)(C)c1ccc(Cl)cc1Cl ZINC001252577586 1123860891 /nfs/dbraw/zinc/86/08/91/1123860891.db2.gz KYZYYYMSNQXQGI-AWEZNQCLSA-N 0 3 288.218 3.755 20 30 CHEDHN N#CC(C(=O)C=Cc1ccc2ccccc2n1)c1ccccn1 ZINC000083938219 1129151833 /nfs/dbraw/zinc/15/18/33/1129151833.db2.gz VKDNGKVPMCYLHO-OFAQMXQXSA-N 0 3 299.333 3.519 20 30 CHEDHN CC(C)[C@H](NCCOCCC#N)c1ccccc1Cl ZINC000339073864 1124016532 /nfs/dbraw/zinc/01/65/32/1124016532.db2.gz NKVINXJNDHQVMM-HNNXBMFYSA-N 0 3 280.799 3.557 20 30 CHEDHN C=CC[C@@H](N[C@H]1CCc2cc(OC)ccc21)c1ccncc1 ZINC000866268486 1124044288 /nfs/dbraw/zinc/04/42/88/1124044288.db2.gz WTIUPERUHYTWSY-MOPGFXCFSA-N 0 3 294.398 3.985 20 30 CHEDHN C#CC[C@H](N[C@H]1CCCc2ncccc21)c1ccccc1 ZINC000866312595 1124050690 /nfs/dbraw/zinc/05/06/90/1124050690.db2.gz OUAWDVFBTSYQJC-HKUYNNGSSA-N 0 3 276.383 3.813 20 30 CHEDHN CCC[C@@]1(C(=O)OCC)CCCN1CCCC(C)(C)C#N ZINC000444780558 1124060053 /nfs/dbraw/zinc/06/00/53/1124060053.db2.gz NETBQOXDJTYXRW-KRWDZBQOSA-N 0 3 294.439 3.514 20 30 CHEDHN C=CC[C@H]1N(Cc2cc(C(=O)OC)co2)CCCC1(C)C ZINC000444773423 1124063219 /nfs/dbraw/zinc/06/32/19/1124063219.db2.gz DEVSUTJMHWGGQV-OAHLLOKOSA-N 0 3 291.391 3.633 20 30 CHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000034992047 1124096394 /nfs/dbraw/zinc/09/63/94/1124096394.db2.gz BUDAJPMLZPZTFS-CYBMUJFWSA-N 0 3 284.334 3.579 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCCC2(CCCC2)C1 ZINC000445876578 1124105968 /nfs/dbraw/zinc/10/59/68/1124105968.db2.gz XJNHVSDRENEYKD-UHFFFAOYSA-N 0 3 284.403 3.723 20 30 CHEDHN CCS[C@@H]1CCCC[C@H]1NCc1cccc(F)c1C#N ZINC000428433202 1124110079 /nfs/dbraw/zinc/11/00/79/1124110079.db2.gz GTRUJPBWGDESCP-HZPDHXFCSA-N 0 3 292.423 3.851 20 30 CHEDHN C=CCCN(C)Cc1cc(Br)ccc1F ZINC000525328487 1124122746 /nfs/dbraw/zinc/12/27/46/1124122746.db2.gz ARKUMHRVLGRARZ-UHFFFAOYSA-N 0 3 272.161 3.596 20 30 CHEDHN CN(CC#Cc1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC000446816543 1124123533 /nfs/dbraw/zinc/12/35/33/1124123533.db2.gz FYYSLWFQXCQRGF-IBGZPJMESA-N 0 3 279.358 3.797 20 30 CHEDHN N#Cc1c(F)cccc1CN1CCC[C@H]1C1CCCC1 ZINC000428468020 1124132542 /nfs/dbraw/zinc/13/25/42/1124132542.db2.gz LYCWYVQIXZWTQV-KRWDZBQOSA-N 0 3 272.367 3.852 20 30 CHEDHN CCc1cc(CN(C)Cc2cccc(OC)c2)ccc1C#N ZINC001238777004 1131244846 /nfs/dbraw/zinc/24/48/46/1131244846.db2.gz YYEHKQDXYVPHKV-UHFFFAOYSA-N 0 3 294.398 3.761 20 30 CHEDHN C=CC[C@@H](N[C@H]1CCCc2ncccc21)c1ccncc1 ZINC001118991934 1131245034 /nfs/dbraw/zinc/24/50/34/1131245034.db2.gz TUZJURWNOHHRLU-AEFFLSMTSA-N 0 3 279.387 3.761 20 30 CHEDHN C=C(CC)CN1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447391219 1124470514 /nfs/dbraw/zinc/47/05/14/1124470514.db2.gz JARKYQRYLCJUMJ-INIZCTEOSA-N 0 3 295.430 3.712 20 30 CHEDHN CC(C)N(CCC#N)CCCCCOc1ccccc1 ZINC000525865566 1124473286 /nfs/dbraw/zinc/47/32/86/1124473286.db2.gz SXLUXFZOEXRTGG-UHFFFAOYSA-N 0 3 274.408 3.860 20 30 CHEDHN C=Cn1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000447742103 1124520556 /nfs/dbraw/zinc/52/05/56/1124520556.db2.gz BSWRQQTVERBQMY-UHFFFAOYSA-N 0 3 294.402 3.513 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000870162513 1124548081 /nfs/dbraw/zinc/54/80/81/1124548081.db2.gz IXYUMGOWDVJRQG-IJLUTSLNSA-N 0 3 282.343 3.686 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000819951979 1131271650 /nfs/dbraw/zinc/27/16/50/1131271650.db2.gz ITHSNMJQDPHLIQ-FRRDWIJNSA-N 0 3 282.343 3.830 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccco1 ZINC000872108409 1124685389 /nfs/dbraw/zinc/68/53/89/1124685389.db2.gz TZBUMFVBADDOLO-UGUYLWEFSA-N 0 3 275.392 3.834 20 30 CHEDHN N#Cc1csc(CN2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872262312 1124702386 /nfs/dbraw/zinc/70/23/86/1124702386.db2.gz XTOVWYUFVIAUFK-HNNXBMFYSA-N 0 3 290.432 3.543 20 30 CHEDHN CCn1cccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC001122687520 1131302456 /nfs/dbraw/zinc/30/24/56/1131302456.db2.gz ZTEHGMWRLRDIOJ-LLVKDONJSA-N 0 3 287.388 3.578 20 30 CHEDHN C#CCCCCCCNCc1nnc(-c2ccccc2)s1 ZINC000877094216 1125007992 /nfs/dbraw/zinc/00/79/92/1125007992.db2.gz OOOOSHSNHAFHFV-UHFFFAOYSA-N 0 3 299.443 3.878 20 30 CHEDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000877594607 1125049894 /nfs/dbraw/zinc/04/98/94/1125049894.db2.gz WKZUVIGJFKGNSA-GOSISDBHSA-N 0 3 292.382 3.740 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877605684 1125052418 /nfs/dbraw/zinc/05/24/18/1125052418.db2.gz VUUKNRXPPSXNKD-GFCCVEGCSA-N 0 3 288.778 3.717 20 30 CHEDHN C#CCCCCCCNCc1noc2ccccc12 ZINC000877621349 1125055762 /nfs/dbraw/zinc/05/57/62/1125055762.db2.gz QXBGRNUFSSFSRN-UHFFFAOYSA-N 0 3 256.349 3.501 20 30 CHEDHN C=C1CCN(C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878086786 1125118745 /nfs/dbraw/zinc/11/87/45/1125118745.db2.gz BMYGGEHDHDKJSV-IAGOWNOFSA-N 0 3 257.377 3.559 20 30 CHEDHN C[C@H](NC[C@H]1CCC(C)(C)CO1)c1ccc(C#N)cc1F ZINC000878406648 1125150837 /nfs/dbraw/zinc/15/08/37/1125150837.db2.gz AEKISFLXHNOHCP-GXTWGEPZSA-N 0 3 290.382 3.553 20 30 CHEDHN Cc1cncc([C@H]2CCCN2Cc2ccc(CC#N)cc2)c1 ZINC000879749753 1125230496 /nfs/dbraw/zinc/23/04/96/1125230496.db2.gz KZPMMHLKDFWJLR-LJQANCHMSA-N 0 3 291.398 3.793 20 30 CHEDHN Cc1csc(CN(C)Cc2cccc(C#N)c2)c1 ZINC001137160248 1125292856 /nfs/dbraw/zinc/29/28/56/1125292856.db2.gz UWRQSFOIUFWCPP-UHFFFAOYSA-N 0 3 256.374 3.560 20 30 CHEDHN C=CCN(CCOC)Cc1cc(Cl)cc2cccnc21 ZINC000191760412 1125327456 /nfs/dbraw/zinc/32/74/56/1125327456.db2.gz GNESBVURRCVGGE-UHFFFAOYSA-N 0 3 290.794 3.523 20 30 CHEDHN N#CCC[C@H](NCc1ccccc1O)c1ccccc1 ZINC000130583710 1125363932 /nfs/dbraw/zinc/36/39/32/1125363932.db2.gz RDCJVRZVQDWTTC-INIZCTEOSA-N 0 3 266.344 3.527 20 30 CHEDHN N#CCC[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000130583710 1125363935 /nfs/dbraw/zinc/36/39/35/1125363935.db2.gz RDCJVRZVQDWTTC-INIZCTEOSA-N 0 3 266.344 3.527 20 30 CHEDHN Cc1cc(C)c(CNCc2ccc(C#N)c(F)c2)c(C)c1 ZINC000404110509 1125374116 /nfs/dbraw/zinc/37/41/16/1125374116.db2.gz JJYVTHRGEDXCQM-UHFFFAOYSA-N 0 3 282.362 3.912 20 30 CHEDHN C=C(Br)CN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000131215325 1125377456 /nfs/dbraw/zinc/37/74/56/1125377456.db2.gz CEMCVAKWPBCXGD-KGLIPLIRSA-N 0 3 280.209 3.821 20 30 CHEDHN C=CCC[C@@H](Cc1ccccc1)[NH2+]Cc1nnc(C(C)C)[n-]1 ZINC000883225881 1125380146 /nfs/dbraw/zinc/38/01/46/1125380146.db2.gz OFYPALMVPUDWEP-INIZCTEOSA-N 0 3 298.434 3.595 20 30 CHEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(CC#N)cc1 ZINC000348246572 1125430115 /nfs/dbraw/zinc/43/01/15/1125430115.db2.gz RDUPXKIOTRAHHQ-FZMZJTMJSA-N 0 3 282.309 3.525 20 30 CHEDHN C=C(Br)CN[C@@H](C)CCc1cccc(C)c1 ZINC000133316667 1125445031 /nfs/dbraw/zinc/44/50/31/1125445031.db2.gz KNJVICPATURIDM-ZDUSSCGKSA-N 0 3 282.225 3.814 20 30 CHEDHN C=CCCCN(C)Cc1ccnn1CCc1ccccc1 ZINC000621717663 1129185461 /nfs/dbraw/zinc/18/54/61/1129185461.db2.gz KQHWZAACERLKHO-UHFFFAOYSA-N 0 3 283.419 3.524 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000037748276 1129264142 /nfs/dbraw/zinc/26/41/42/1129264142.db2.gz SUVKDOWAXHLVOR-QGZVFWFLSA-N 0 3 268.335 3.938 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)C(C)(C)C ZINC000734709796 1129319141 /nfs/dbraw/zinc/31/91/41/1129319141.db2.gz ZVBNQLCBGZOGEI-MNOVXSKESA-N 0 3 270.332 3.686 20 30 CHEDHN C=CC[C@H]1CCN(Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639891105 1129339115 /nfs/dbraw/zinc/33/91/15/1129339115.db2.gz WJIMANJSTYUVDB-AWEZNQCLSA-N 0 3 298.386 3.748 20 30 CHEDHN CN(Cc1cc(Cl)ccc1OCC#N)CC(C)(C)C ZINC000735309740 1129339917 /nfs/dbraw/zinc/33/99/17/1129339917.db2.gz KWTXVNLZQKNYRN-UHFFFAOYSA-N 0 3 280.799 3.720 20 30 CHEDHN CC(C)CCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735308592 1129340038 /nfs/dbraw/zinc/34/00/38/1129340038.db2.gz KBUVCXRUCUKTRN-UHFFFAOYSA-N 0 3 280.799 3.720 20 30 CHEDHN N#Cc1ccccc1OC1CCN(Cc2cccs2)CC1 ZINC001204015746 1129384293 /nfs/dbraw/zinc/38/42/93/1129384293.db2.gz LDYGQMSUPWJJCH-UHFFFAOYSA-N 0 3 298.411 3.663 20 30 CHEDHN N#Cc1csc(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000093335725 1129421064 /nfs/dbraw/zinc/42/10/64/1129421064.db2.gz MZFSDRBPRDQPFT-AWEZNQCLSA-N 0 3 286.375 3.748 20 30 CHEDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(C#N)cc1 ZINC000094617288 1129448246 /nfs/dbraw/zinc/44/82/46/1129448246.db2.gz LDKMPULCBKVMLQ-NEPJUHHUSA-N 0 3 284.334 3.815 20 30 CHEDHN C#CCN(Cc1cnn(-c2ccccc2)c1)C1CCCCC1 ZINC000744213902 1129560161 /nfs/dbraw/zinc/56/01/61/1129560161.db2.gz UCUNSJKLHVEYMJ-UHFFFAOYSA-N 0 3 293.414 3.640 20 30 CHEDHN Cc1nc2ccc(Nc3cc(F)c(F)cc3C#N)cc2[nH]1 ZINC001213076741 1129585387 /nfs/dbraw/zinc/58/53/87/1129585387.db2.gz ZEEWJIBCVUBCBO-UHFFFAOYSA-N 0 3 284.269 3.765 20 30 CHEDHN CCN(CCCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000746137277 1129626815 /nfs/dbraw/zinc/62/68/15/1129626815.db2.gz BYIGSVWCYCKVSI-UHFFFAOYSA-N 0 3 270.298 3.831 20 30 CHEDHN C=CCc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c([O-])c(OC)c1 ZINC000766379133 1129659717 /nfs/dbraw/zinc/65/97/17/1129659717.db2.gz AAHSPIVTSCEWFU-KGLIPLIRSA-N 0 3 289.419 3.607 20 30 CHEDHN C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c([O-])c(OC)c1 ZINC000766379133 1129659719 /nfs/dbraw/zinc/65/97/19/1129659719.db2.gz AAHSPIVTSCEWFU-KGLIPLIRSA-N 0 3 289.419 3.607 20 30 CHEDHN C=CCOCCNC1(c2ccccc2Cl)CCC1 ZINC000649644002 1129665894 /nfs/dbraw/zinc/66/58/94/1129665894.db2.gz NREJHQUCBIQGOH-UHFFFAOYSA-N 0 3 265.784 3.511 20 30 CHEDHN C=CCCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917959 1129687369 /nfs/dbraw/zinc/68/73/69/1129687369.db2.gz GSVPOFXLPWBOOS-BZSNNMDCSA-N 0 3 271.404 3.947 20 30 CHEDHN CC(C)C[C@@H](Cc1ccccc1)N1CCC[C@H](C#N)C1 ZINC001169078159 1129697625 /nfs/dbraw/zinc/69/76/25/1129697625.db2.gz MHSXMQLVBWLOFH-MSOLQXFVSA-N 0 3 270.420 3.879 20 30 CHEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2nnc([C@@H](C)CC)[n-]2)C1 ZINC000651785506 1129747875 /nfs/dbraw/zinc/74/78/75/1129747875.db2.gz FWWXWQNPTJPSSZ-DGAVXFQQSA-N 0 3 276.428 3.714 20 30 CHEDHN C#C[C@](C)(CC)Nc1ccc(F)c(CN2CCCC2)c1 ZINC001169700660 1129748768 /nfs/dbraw/zinc/74/87/68/1129748768.db2.gz UUJUVNPCFWBYJL-QGZVFWFLSA-N 0 3 274.383 3.635 20 30 CHEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H]2CCC(C)C)nn1 ZINC000653634061 1129789095 /nfs/dbraw/zinc/78/90/95/1129789095.db2.gz JEWXDHMQZBLWKQ-NVXWUHKLSA-N 0 3 290.455 3.549 20 30 CHEDHN C=CCCn1cc(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)nn1 ZINC000653766543 1129794519 /nfs/dbraw/zinc/79/45/19/1129794519.db2.gz IIQBTLLXAVSJBK-HOTGVXAUSA-N 0 3 290.455 3.501 20 30 CHEDHN CCCCCCCOc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000768409520 1129855296 /nfs/dbraw/zinc/85/52/96/1129855296.db2.gz ODCMHMYEOMIRKD-KRWDZBQOSA-N 0 3 291.435 3.602 20 30 CHEDHN CN(Cc1cc(C#N)cs1)[C@@H]1C[C@H]1c1ccccc1 ZINC000770349965 1129945877 /nfs/dbraw/zinc/94/58/77/1129945877.db2.gz OQHRVYGYCFDZPY-JKSUJKDBSA-N 0 3 268.385 3.608 20 30 CHEDHN CCc1ccc([C@@H]2C[C@H](C)CCN2CCO[C@H](C)C#N)o1 ZINC000801925423 1129959813 /nfs/dbraw/zinc/95/98/13/1129959813.db2.gz LXYCPECQFVZJEB-FMKPAKJESA-N 0 3 290.407 3.544 20 30 CHEDHN CNc1ccc(C)cc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000902054503 1129975038 /nfs/dbraw/zinc/97/50/38/1129975038.db2.gz GZLKBKUFJLOCMY-CQSZACIVSA-N 0 3 279.387 3.759 20 30 CHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cnccc2C)cc1 ZINC000771390928 1129979279 /nfs/dbraw/zinc/97/92/79/1129979279.db2.gz YWTXSBGYLFOTPT-JKSUJKDBSA-N 0 3 294.398 3.814 20 30 CHEDHN CNc1ccc(C)cc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000902289905 1129997309 /nfs/dbraw/zinc/99/73/09/1129997309.db2.gz GVNMAPZAFBXWJH-AWEZNQCLSA-N 0 3 279.387 3.759 20 30 CHEDHN Cc1cscc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000785520872 1130038123 /nfs/dbraw/zinc/03/81/23/1130038123.db2.gz CXORDGFEKXPSKC-CYBMUJFWSA-N 0 3 286.400 3.637 20 30 CHEDHN C=CCC[C@H](NCc1cc(CC)no1)[C@@]1(C)CCCCO1 ZINC000902817123 1130062353 /nfs/dbraw/zinc/06/23/53/1130062353.db2.gz VSGUQXCJAKXXSO-DLBZAZTESA-N 0 3 292.423 3.621 20 30 CHEDHN C=CCSCCN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902855410 1130070514 /nfs/dbraw/zinc/07/05/14/1130070514.db2.gz ZAPGGAVCAGJGAF-SNVBAGLBSA-N 0 3 290.354 3.670 20 30 CHEDHN C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000787028190 1130125777 /nfs/dbraw/zinc/12/57/77/1130125777.db2.gz CAYAGENUPOTRDF-SJKOYZFVSA-N 0 3 278.355 3.602 20 30 CHEDHN C=CCC[C@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000903264386 1130139443 /nfs/dbraw/zinc/13/94/43/1130139443.db2.gz SUPCJDHPGWSQJX-OAHLLOKOSA-N 0 3 297.427 3.682 20 30 CHEDHN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cccc(C#N)c1 ZINC000903428400 1130175500 /nfs/dbraw/zinc/17/55/00/1130175500.db2.gz OGWKFEJHODRVGO-FZKQIMNGSA-N 0 3 277.371 3.755 20 30 CHEDHN C#CCC1(C(=O)Nc2cccc(CN(C)C)c2)CCCCC1 ZINC000788150978 1130176337 /nfs/dbraw/zinc/17/63/37/1130176337.db2.gz CTCKKXVUIKXVBG-UHFFFAOYSA-N 0 3 298.430 3.661 20 30 CHEDHN C=CCCCCN[C@H]1COCc2cccc(Cl)c21 ZINC000788754563 1130206441 /nfs/dbraw/zinc/20/64/41/1130206441.db2.gz PYLUTHAXKBNIAI-AWEZNQCLSA-N 0 3 265.784 3.857 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)c1ccc(C)cc1)c1ccco1 ZINC000789744024 1130275345 /nfs/dbraw/zinc/27/53/45/1130275345.db2.gz ONCITGKNLKKFOQ-DLBZAZTESA-N 0 3 285.387 3.919 20 30 CHEDHN CCC#C[C@@H](C)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000677480510 1130312548 /nfs/dbraw/zinc/31/25/48/1130312548.db2.gz YOMGFXOELRGQKS-CABCVRRESA-N 0 3 282.387 3.809 20 30 CHEDHN CCC#C[C@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000677480514 1130313080 /nfs/dbraw/zinc/31/30/80/1130313080.db2.gz YOMGFXOELRGQKS-LSDHHAIUSA-N 0 3 282.387 3.809 20 30 CHEDHN CCCCCCCCN(C)Cc1cnn(C)c1C ZINC000790446244 1130313933 /nfs/dbraw/zinc/31/39/33/1130313933.db2.gz ZKVAFMCOSZONPS-UHFFFAOYSA-N 0 3 251.418 3.521 20 30 CHEDHN C[N@@H+]1CCCC(C)(C)[C@@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000790599387 1130321593 /nfs/dbraw/zinc/32/15/93/1130321593.db2.gz XTUBIQSRBBATDH-ZNBBLSJYSA-N 0 3 294.826 3.585 20 30 CHEDHN C[N@H+]1CCCC(C)(C)[C@@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000790599387 1130321600 /nfs/dbraw/zinc/32/16/00/1130321600.db2.gz XTUBIQSRBBATDH-ZNBBLSJYSA-N 0 3 294.826 3.585 20 30 CHEDHN C=CCCCCCN(C)Cc1nn(C)c2ccccc12 ZINC000678270825 1130386826 /nfs/dbraw/zinc/38/68/26/1130386826.db2.gz LAICCRNIOSDIAH-UHFFFAOYSA-N 0 3 271.408 3.752 20 30 CHEDHN CCC[N@H+](CC#Cc1ccccc1)Cc1ccccc1[O-] ZINC000792230118 1130439613 /nfs/dbraw/zinc/43/96/13/1130439613.db2.gz AUHSPQYTKRTUAA-UHFFFAOYSA-N 0 3 279.383 3.656 20 30 CHEDHN CCC[N@@H+](CC#Cc1ccccc1)Cc1ccccc1[O-] ZINC000792230118 1130439618 /nfs/dbraw/zinc/43/96/18/1130439618.db2.gz AUHSPQYTKRTUAA-UHFFFAOYSA-N 0 3 279.383 3.656 20 30 CHEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000678765225 1130450990 /nfs/dbraw/zinc/45/09/90/1130450990.db2.gz GZIQVISQYOYAOE-XJKSGUPXSA-N 0 3 279.449 3.775 20 30 CHEDHN C=CCOCCN[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000679576891 1130542794 /nfs/dbraw/zinc/54/27/94/1130542794.db2.gz XLLHJXMTIWNFKY-IBGZPJMESA-N 0 3 281.399 3.877 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1cc(CC)no1 ZINC000793531068 1130572162 /nfs/dbraw/zinc/57/21/62/1130572162.db2.gz CCNBNDFESKMTJS-CYBMUJFWSA-N 0 3 250.386 3.852 20 30 CHEDHN C#C[C@@H](N[C@H](C)CC1CCOCC1)c1ccc(Cl)cc1 ZINC000811516052 1130615427 /nfs/dbraw/zinc/61/54/27/1130615427.db2.gz CNVCJQVPBJQXAE-CXAGYDPISA-N 0 3 291.822 3.809 20 30 CHEDHN C#C[C@H](N[C@H]1CC[C@H]1C1CC1)c1ccc(Cl)cc1 ZINC000811517607 1130616121 /nfs/dbraw/zinc/61/61/21/1130616121.db2.gz XLUFSVMEODUHTB-JYJNAYRXSA-N 0 3 259.780 3.793 20 30 CHEDHN C[C@H](Cc1ccco1)N[C@H](C)c1ccc(C#N)cc1F ZINC000781419615 1130716740 /nfs/dbraw/zinc/71/67/40/1130716740.db2.gz AIZWFMGZVVGKAH-VXGBXAGGSA-N 0 3 272.323 3.572 20 30 CHEDHN N#CC(C(=O)C=C1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813218477 1130747663 /nfs/dbraw/zinc/74/76/63/1130747663.db2.gz PMIBPJYUCDCDJB-LBPRGKRZSA-N 0 3 294.276 3.777 20 30 CHEDHN C#CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000783572586 1130838670 /nfs/dbraw/zinc/83/86/70/1130838670.db2.gz KINXQRKPKIQNPH-UHFFFAOYSA-N 0 3 292.766 3.626 20 30 CHEDHN C[C@]1(C#N)CCCN(Cc2c(O)ccc3ccccc32)C1 ZINC000784010846 1130867037 /nfs/dbraw/zinc/86/70/37/1130867037.db2.gz BHUDUZPNZJSJDY-GOSISDBHSA-N 0 3 280.371 3.671 20 30 CHEDHN COc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1F ZINC000784128597 1130881538 /nfs/dbraw/zinc/88/15/38/1130881538.db2.gz PRLSKWDEZMEYNI-UHFFFAOYSA-N 0 3 298.361 3.532 20 30 CHEDHN C[C@H](C=Nn1cnnc1-c1ccccc1)C1CCCCC1 ZINC000814779359 1130913636 /nfs/dbraw/zinc/91/36/36/1130913636.db2.gz LDIVTYRESOFABI-CQSZACIVSA-N 0 3 282.391 3.995 20 30 CHEDHN C=C(Cl)CN[C@@H](C)CCc1ccc(F)cc1F ZINC000796818477 1130935099 /nfs/dbraw/zinc/93/50/99/1130935099.db2.gz OEUVXVMXNQWSCJ-JTQLQIEISA-N 0 3 259.727 3.628 20 30 CHEDHN C[C@@H](NN=C1CC[C@H]2CNc3cccc1c32)C(C)(C)C ZINC000814938690 1130939693 /nfs/dbraw/zinc/93/96/93/1130939693.db2.gz RWPCPTYVGMYKPZ-NEPJUHHUSA-N 0 3 271.408 3.718 20 30 CHEDHN Cc1cc(F)ccc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000815591866 1131006637 /nfs/dbraw/zinc/00/66/37/1131006637.db2.gz SNZHIPUMBSEMOI-CQSZACIVSA-N 0 3 298.361 3.887 20 30 CHEDHN C=CCCCCCCCN[C@@H](C)c1cc(C)n(C)n1 ZINC000815627803 1131011743 /nfs/dbraw/zinc/01/17/43/1131011743.db2.gz KDBQZOUHVQZNJP-HNNXBMFYSA-N 0 3 263.429 3.906 20 30 CHEDHN Cc1cc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)n(C)n1 ZINC000815635605 1131014156 /nfs/dbraw/zinc/01/41/56/1131014156.db2.gz GISNMKNFELGQKV-NVXWUHKLSA-N 0 3 296.418 3.814 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2cc1[O-] ZINC001236834415 1131019146 /nfs/dbraw/zinc/01/91/46/1131019146.db2.gz YOMWYJPOIUBJFG-WVJCCSTMSA-N 0 3 292.382 3.812 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2cc1[O-] ZINC001236834415 1131019152 /nfs/dbraw/zinc/01/91/52/1131019152.db2.gz YOMWYJPOIUBJFG-WVJCCSTMSA-N 0 3 292.382 3.812 20 30 CHEDHN N#CC(C(=O)[C@H]1CC2CCC1CC2)c1nc2ccccc2[nH]1 ZINC000815897760 1131030761 /nfs/dbraw/zinc/03/07/61/1131030761.db2.gz GQKIZBOIIBZQGT-CLRIEMFWSA-N 0 3 293.370 3.565 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)C(C)(F)F ZINC000815899724 1131032152 /nfs/dbraw/zinc/03/21/52/1131032152.db2.gz ZXWRIHCIKRSHLE-RKDXNWHRSA-N 0 3 294.326 3.764 20 30 CHEDHN C#CCN(C)Cc1ccccc1CCc1ccccc1 ZINC001237295041 1131078502 /nfs/dbraw/zinc/07/85/02/1131078502.db2.gz RCEJUJUVKYJBAE-UHFFFAOYSA-N 0 3 263.384 3.537 20 30 CHEDHN C=CCCCCN(C)Cc1cnc(Cl)c(F)c1 ZINC001237407929 1131096085 /nfs/dbraw/zinc/09/60/85/1131096085.db2.gz PESDYGUYSMBFLM-UHFFFAOYSA-N 0 3 256.752 3.662 20 30 CHEDHN C=CC[C@H](N[C@@H](C)c1cccc(O)c1)c1ccncc1 ZINC000799718494 1131103743 /nfs/dbraw/zinc/10/37/43/1131103743.db2.gz CVJKNPQLDGKYIW-GUYCJALGSA-N 0 3 268.360 3.755 20 30 CHEDHN C#C[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000816615767 1131116214 /nfs/dbraw/zinc/11/62/14/1131116214.db2.gz FPQWLOAIIDIGPV-ACJLOTCBSA-N 0 3 299.801 3.941 20 30 CHEDHN N#CC1CCN(Cc2ccc(-c3ccc(O)cc3)cc2)CC1 ZINC001237661443 1131124487 /nfs/dbraw/zinc/12/44/87/1131124487.db2.gz IIBYQXWATIVOIW-UHFFFAOYSA-N 0 3 292.382 3.795 20 30 CHEDHN C[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237745705 1131137311 /nfs/dbraw/zinc/13/73/11/1131137311.db2.gz HYDZUZWCVBEXRA-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CC[C@H](N[C@H]1CCc2c1cccc2OC)c1ccncc1 ZINC001116296641 1131139572 /nfs/dbraw/zinc/13/95/72/1131139572.db2.gz UHALEUHOBSYRQM-ROUUACIJSA-N 0 3 294.398 3.985 20 30 CHEDHN C=CCN(Cc1cc(C)c(Cl)cn1)C(C)(C)C ZINC001238428696 1131199064 /nfs/dbraw/zinc/19/90/64/1131199064.db2.gz DSIQKDUOHJOUFU-UHFFFAOYSA-N 0 3 252.789 3.830 20 30 CHEDHN Cc1ccc(OC(C)C)cc1CN1CCC(C)(C#N)CC1 ZINC001238479380 1131207902 /nfs/dbraw/zinc/20/79/02/1131207902.db2.gz FNBCGZNSJSXGIB-UHFFFAOYSA-N 0 3 286.419 3.908 20 30 CHEDHN C#CC1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000830304899 1131451736 /nfs/dbraw/zinc/45/17/36/1131451736.db2.gz BJRMUUIFVYKKQP-UHFFFAOYSA-N 0 3 283.415 3.660 20 30 CHEDHN N=C(Nc1ccnc(C2CC2)c1)c1ccc2ccccc2n1 ZINC001171048864 1131458276 /nfs/dbraw/zinc/45/82/76/1131458276.db2.gz XOOUAWZRRHVVKR-UHFFFAOYSA-N 0 3 288.354 3.544 20 30 CHEDHN Cc1ccc2c(CN(C)Cc3cccc(C#N)c3)c[nH]c2c1 ZINC001136975729 1131491167 /nfs/dbraw/zinc/49/11/67/1131491167.db2.gz POMKCEHWPWKSHR-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1[O-] ZINC001138628111 1131527742 /nfs/dbraw/zinc/52/77/42/1131527742.db2.gz OCUNTRCFVTYPTF-ZDUSSCGKSA-N 0 3 285.309 3.505 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1[O-] ZINC001138628111 1131527747 /nfs/dbraw/zinc/52/77/47/1131527747.db2.gz OCUNTRCFVTYPTF-ZDUSSCGKSA-N 0 3 285.309 3.505 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)CC2CC(F)(F)C2)c1[O-] ZINC001138628336 1131527953 /nfs/dbraw/zinc/52/79/53/1131527953.db2.gz SIIXFVFIVGOTLE-UHFFFAOYSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)CC2CC(F)(F)C2)c1[O-] ZINC001138628336 1131527956 /nfs/dbraw/zinc/52/79/56/1131527956.db2.gz SIIXFVFIVGOTLE-UHFFFAOYSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[NH+]2CC(c3ccccc3)C2)c1[O-] ZINC001138627772 1131528494 /nfs/dbraw/zinc/52/84/94/1131528494.db2.gz FTULVXJPKGIXAB-UHFFFAOYSA-N 0 3 279.383 3.720 20 30 CHEDHN C=CCOc1ccccc1CN1CC(c2ccccc2)C1 ZINC001139030521 1131574834 /nfs/dbraw/zinc/57/48/34/1131574834.db2.gz PFWCHXMJRVIKNW-UHFFFAOYSA-N 0 3 279.383 3.851 20 30 CHEDHN CN(Cc1ccc2ccn(C)c2c1)Cc1cccc(C#N)c1 ZINC001139207376 1131597207 /nfs/dbraw/zinc/59/72/07/1131597207.db2.gz CHGWUZIPJPDTEU-UHFFFAOYSA-N 0 3 289.382 3.682 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139339440 1131602642 /nfs/dbraw/zinc/60/26/42/1131602642.db2.gz WRDXQMBMRHTDRE-UHFFFAOYSA-N 0 3 280.371 3.671 20 30 CHEDHN C[C@@H]1CCCN1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423743 1131608174 /nfs/dbraw/zinc/60/81/74/1131608174.db2.gz HXISCFIROAVACO-CQSZACIVSA-N 0 3 293.370 3.730 20 30 CHEDHN C=CCCCCN(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC001139556740 1131616747 /nfs/dbraw/zinc/61/67/47/1131616747.db2.gz NFARLVCYCMRTMU-UHFFFAOYSA-N 0 3 269.392 3.865 20 30 CHEDHN Cc1cc(O)cc(C)c1CN(C)Cc1ccc(C#N)cc1 ZINC001139713475 1131631087 /nfs/dbraw/zinc/63/10/87/1131631087.db2.gz GWHUWOPSBRWKTP-UHFFFAOYSA-N 0 3 280.371 3.513 20 30 CHEDHN Cc1csc([C@@H](C)N[C@@H](C)Cc2cccc(C#N)c2)n1 ZINC001171181299 1131633235 /nfs/dbraw/zinc/63/32/35/1131633235.db2.gz JIFGDESRZKPCGV-WCQYABFASA-N 0 3 285.416 3.605 20 30 CHEDHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCCC1)c1nc2ccccc2[nH]1 ZINC000845436715 1131634238 /nfs/dbraw/zinc/63/42/38/1131634238.db2.gz JEBOCDAHALXTDZ-BFHYXJOUSA-N 0 3 293.370 3.565 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2c(cnn2C)c1 ZINC001139952400 1131652682 /nfs/dbraw/zinc/65/26/82/1131652682.db2.gz KEMSFIHDCUEUIQ-UHFFFAOYSA-N 0 3 291.398 3.762 20 30 CHEDHN CCCCCCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC001140055741 1131659760 /nfs/dbraw/zinc/65/97/60/1131659760.db2.gz RYHDIRBKDRAGFZ-UHFFFAOYSA-N 0 3 253.361 3.934 20 30 CHEDHN CCCCCCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC001140055741 1131659762 /nfs/dbraw/zinc/65/97/62/1131659762.db2.gz RYHDIRBKDRAGFZ-UHFFFAOYSA-N 0 3 253.361 3.934 20 30 CHEDHN C=C(C)CN(CC)Cc1cccc(Cl)c1OC ZINC001140062314 1131661064 /nfs/dbraw/zinc/66/10/64/1131661064.db2.gz RYINPUCQBMBBOT-UHFFFAOYSA-N 0 3 253.773 3.747 20 30 CHEDHN C#Cc1ccc(CN(C)[C@@H](C)c2ccccc2OC)cc1 ZINC001144576592 1131661713 /nfs/dbraw/zinc/66/17/13/1131661713.db2.gz OEGMSVNWFNERFV-HNNXBMFYSA-N 0 3 279.383 3.870 20 30 CHEDHN N#Cc1ccc(CN2CCCC3(CC(F)C3)CC2)c(F)c1 ZINC001140140318 1131666640 /nfs/dbraw/zinc/66/66/40/1131666640.db2.gz QMAYMIBVUQDOJA-UHFFFAOYSA-N 0 3 290.357 3.802 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2cc(F)cnc2Cl)C1 ZINC000845978285 1131675011 /nfs/dbraw/zinc/67/50/11/1131675011.db2.gz JRUIUJSLTLUBJY-ZWNOBZJWSA-N 0 3 268.763 3.709 20 30 CHEDHN CCCCCCC[C@@H](C)CN[C@H]1CCn2ccnc21 ZINC000834527191 1131681660 /nfs/dbraw/zinc/68/16/60/1131681660.db2.gz XUJIKJWKHDUCSS-CABCVRRESA-N 0 3 263.429 3.914 20 30 CHEDHN C=CCN(C)Cc1cc(Cl)cc(Br)c1 ZINC001144689973 1131685160 /nfs/dbraw/zinc/68/51/60/1131685160.db2.gz RZCYMNABNVSMKW-UHFFFAOYSA-N 0 3 274.589 3.720 20 30 CHEDHN CCOc1ccc2[nH]cc(CN3CCC[C@@H](C#N)CC3)c2c1 ZINC001140271388 1131686615 /nfs/dbraw/zinc/68/66/15/1131686615.db2.gz DGIDRCTWIDCQEU-CQSZACIVSA-N 0 3 297.402 3.692 20 30 CHEDHN CC1(C)CC[C@H]1NCc1ccc(C#N)cc1Br ZINC000846960779 1131765259 /nfs/dbraw/zinc/76/52/59/1131765259.db2.gz QJTNPBZYGUZQEF-CYBMUJFWSA-N 0 3 293.208 3.599 20 30 CHEDHN Cc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)nc1 ZINC001140541831 1131785985 /nfs/dbraw/zinc/78/59/85/1131785985.db2.gz VLSNJHIALTVJCT-SFHVURJKSA-N 0 3 277.371 3.599 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H]1CCc2c1cccc2C ZINC000772987975 1131846948 /nfs/dbraw/zinc/84/69/48/1131846948.db2.gz NLICDIAEHXKUFN-LJQANCHMSA-N 0 3 291.394 3.784 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H]1CCc2cc(C)ccc21 ZINC000772989669 1131848633 /nfs/dbraw/zinc/84/86/33/1131848633.db2.gz YRLOCKOCGDEZQI-LJQANCHMSA-N 0 3 291.394 3.784 20 30 CHEDHN C=CCN(Cc1ccc(C(=O)OCC)[nH]1)C1CCCCC1 ZINC001140689895 1131862975 /nfs/dbraw/zinc/86/29/75/1131862975.db2.gz UGTBMNUAPDFPNZ-UHFFFAOYSA-N 0 3 290.407 3.512 20 30 CHEDHN C#CC[C@@H](C)Oc1ccc2ccccc2c1CN(C)C ZINC001228441957 1131884461 /nfs/dbraw/zinc/88/44/61/1131884461.db2.gz OZDYCBSQCAJURF-CQSZACIVSA-N 0 3 267.372 3.692 20 30 CHEDHN CN(C)Cc1c(OC2CC(C#N)C2)ccc2ccccc21 ZINC001228441915 1131884551 /nfs/dbraw/zinc/88/45/51/1131884551.db2.gz NZAXKXFJHNMLOB-UHFFFAOYSA-N 0 3 280.371 3.582 20 30 CHEDHN C=C(C)CN(CCn1nc(C)cc1C)Cc1ccccc1 ZINC000348221521 1131904182 /nfs/dbraw/zinc/90/41/82/1131904182.db2.gz DQXUOFGZTUMDPD-UHFFFAOYSA-N 0 3 283.419 3.578 20 30 CHEDHN CCCN(CCC)Cc1cccc(C#N)c1Cl ZINC001140806836 1131930452 /nfs/dbraw/zinc/93/04/52/1131930452.db2.gz UFERPKPAARGKGL-UHFFFAOYSA-N 0 3 250.773 3.834 20 30 CHEDHN C=C[C@H](Oc1ccc2c(c1)CCN(C)C2)c1ccccc1 ZINC001228943283 1131984141 /nfs/dbraw/zinc/98/41/41/1131984141.db2.gz DXBHJOADRTYGNM-IBGZPJMESA-N 0 3 279.383 3.981 20 30 CHEDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(C#N)cc1 ZINC000036991928 1131985383 /nfs/dbraw/zinc/98/53/83/1131985383.db2.gz SQUYPRBQLXODON-OLZOCXBDSA-N 0 3 266.344 3.676 20 30 CHEDHN C=C1CC=C(F)C=C1N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171735472 1132097813 /nfs/dbraw/zinc/09/78/13/1132097813.db2.gz WLCFLNRTAYNGNT-CRAIPNDOSA-N 0 3 298.405 3.936 20 30 CHEDHN C=CC[C@@H](C)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC001171821260 1132100113 /nfs/dbraw/zinc/10/01/13/1132100113.db2.gz ZSAYXNUKXJYXLI-CYBMUJFWSA-N 0 3 254.377 3.799 20 30 CHEDHN C[C@@H](C#N)OCCN1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000839184724 1132188086 /nfs/dbraw/zinc/18/80/86/1132188086.db2.gz NPJYFTVEARFFAS-FUHWJXTLSA-N 0 3 298.430 3.922 20 30 CHEDHN C[C@H](C#N)OCCN1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000839184726 1132188383 /nfs/dbraw/zinc/18/83/83/1132188383.db2.gz NPJYFTVEARFFAS-SJLPKXTDSA-N 0 3 298.430 3.922 20 30 CHEDHN CCCCCCC[C@H](C)N[C@H](C)c1ccn(C)n1 ZINC000839190889 1132190208 /nfs/dbraw/zinc/19/02/08/1132190208.db2.gz KQWJMAAIAGLCFE-UONOGXRCSA-N 0 3 251.418 3.820 20 30 CHEDHN C[C@H](CCCC#N)NCc1ccsc1Br ZINC001172483252 1132228680 /nfs/dbraw/zinc/22/86/80/1132228680.db2.gz NYXZKYWUKHFQJS-SECBINFHSA-N 0 3 287.226 3.683 20 30 CHEDHN C[C@@H](CCCC#N)N1CCN(c2cccc(Cl)c2)CC1 ZINC001172496947 1132248664 /nfs/dbraw/zinc/24/86/64/1132248664.db2.gz VAWAVVWGZLHUIH-AWEZNQCLSA-N 0 3 291.826 3.544 20 30 CHEDHN CCCCCCC[C@H](CCC)N1CC2(CCO2)C1 ZINC001172511492 1132258798 /nfs/dbraw/zinc/25/87/98/1132258798.db2.gz RTLZCORZXODUEJ-HNNXBMFYSA-N 0 3 253.430 3.990 20 30 CHEDHN C[C@]1(C#N)CCN([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172566919 1132272413 /nfs/dbraw/zinc/27/24/13/1132272413.db2.gz ALMPDEGMZGEOPV-BRWVUGGUSA-N 0 3 254.377 3.558 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/CCC(C)(F)F)c([O-])c1 ZINC000840708489 1132273674 /nfs/dbraw/zinc/27/36/74/1132273674.db2.gz XLGRYYCQJFVNLM-WOJGMQOQSA-N 0 3 284.350 3.703 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CS[C@H](C)C2)c([O-])c1 ZINC000840711876 1132274571 /nfs/dbraw/zinc/27/45/71/1132274571.db2.gz SXCRGFIRWYZVRE-NAGLPPCWSA-N 0 3 292.448 3.551 20 30 CHEDHN CCCCN(CCC#N)C1CC(C)(C)OC(C)(C)C1 ZINC001172657402 1132291393 /nfs/dbraw/zinc/29/13/93/1132291393.db2.gz AESOBBBKEKAPPA-UHFFFAOYSA-N 0 3 266.429 3.738 20 30 CHEDHN Cc1ccc(CN2CCC(S)CC2)cc1Cl ZINC001231424567 1132292811 /nfs/dbraw/zinc/29/28/11/1132292811.db2.gz VYHMJZVUWQUMSV-UHFFFAOYSA-N 0 3 255.814 3.543 20 30 CHEDHN C#Cc1ccc(CNCc2cnccc2C(C)(C)C)cc1 ZINC000840958396 1132314135 /nfs/dbraw/zinc/31/41/35/1132314135.db2.gz JHOLIOBSJWWKDO-UHFFFAOYSA-N 0 3 278.399 3.650 20 30 CHEDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115451 1132423816 /nfs/dbraw/zinc/42/38/16/1132423816.db2.gz PJFMIENFQGSBDK-TXEJJXNPSA-N 0 3 262.784 3.690 20 30 CHEDHN N#Cc1ccc(CN2CCc3ccccc3CC2)cc1Cl ZINC001232120299 1132425713 /nfs/dbraw/zinc/42/57/13/1132425713.db2.gz RIUCOHPBCUKNTJ-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN CC[C@H]1CCCC[C@H]1C=Nn1cnnc1-c1ccccc1 ZINC000842524343 1132437179 /nfs/dbraw/zinc/43/71/79/1132437179.db2.gz ADNPIIAGGDNKAN-HOCLYGCPSA-N 0 3 282.391 3.995 20 30 CHEDHN N#CC(C(=O)C1CC2(CCC2)C1)c1ccc2ccccc2n1 ZINC000842681393 1132450202 /nfs/dbraw/zinc/45/02/02/1132450202.db2.gz DGNHLICLNVUSAZ-HNNXBMFYSA-N 0 3 290.366 3.991 20 30 CHEDHN C=CCN(C)Cc1ccc(OC(F)F)c(OC(F)F)c1 ZINC001142822257 1132454466 /nfs/dbraw/zinc/45/44/66/1132454466.db2.gz KYVGMPYVDKQAIG-UHFFFAOYSA-N 0 3 293.260 3.507 20 30 CHEDHN C=CCOC1CCC(N2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001173320169 1132479187 /nfs/dbraw/zinc/47/91/87/1132479187.db2.gz CDBBSETWJAOPSU-JXQTWKCFSA-N 0 3 291.357 3.569 20 30 CHEDHN CC1(C#N)CCC(NCc2c(F)cccc2F)CC1 ZINC001173589926 1132496895 /nfs/dbraw/zinc/49/68/95/1132496895.db2.gz QBILOHXEAPLSCV-UHFFFAOYSA-N 0 3 264.319 3.527 20 30 CHEDHN C[C@H]1CN(C2CCC(C)(C#N)CC2)[C@@H](c2ccccc2)CO1 ZINC001173597536 1132498466 /nfs/dbraw/zinc/49/84/66/1132498466.db2.gz XTUPPEGMPQOQKT-WEOZKBJRSA-N 0 3 298.430 3.921 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCS[C@@H]2C)c([O-])c1 ZINC000843264718 1132510382 /nfs/dbraw/zinc/51/03/82/1132510382.db2.gz RPGSMUNRHJDFBS-AUCUTYNJSA-N 0 3 292.448 3.551 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2ncsc2c1 ZINC001232743481 1132514986 /nfs/dbraw/zinc/51/49/86/1132514986.db2.gz XJLOHDLBCYIQLI-ZSOGYDGISA-N 0 3 283.400 3.563 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cc(O)cc(OC)c1 ZINC001232803501 1132523442 /nfs/dbraw/zinc/52/34/42/1132523442.db2.gz MOBFWHHFXILVLK-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN CN(CCc1ccccc1Cl)Cc1ccc(C#N)s1 ZINC001232845793 1132529212 /nfs/dbraw/zinc/52/92/12/1132529212.db2.gz QTNPVEAGDVGXPI-UHFFFAOYSA-N 0 3 290.819 3.948 20 30 CHEDHN Cc1ccc(CN2CCC23CCCCC3)c(C#N)c1 ZINC001232964131 1132549901 /nfs/dbraw/zinc/54/99/01/1132549901.db2.gz QMAZRZRKKSXGHL-UHFFFAOYSA-N 0 3 254.377 3.775 20 30 CHEDHN Cc1cnsc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001233322157 1132602178 /nfs/dbraw/zinc/60/21/78/1132602178.db2.gz URMCKEORKUGYKG-UHFFFAOYSA-N 0 3 297.427 3.703 20 30 CHEDHN CCCCCCCN(C)Cc1cc(F)c(F)cc1N ZINC001233380593 1132614162 /nfs/dbraw/zinc/61/41/62/1132614162.db2.gz WHIOXIRWRNZBKF-UHFFFAOYSA-N 0 3 270.367 3.949 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cc(F)c(F)cc1C#N ZINC001173930764 1132644105 /nfs/dbraw/zinc/64/41/05/1132644105.db2.gz OYMLZNUTFBPJPB-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN Cc1ccc(C)c(Nc2ccccc2CN(C)C)c1C#N ZINC001173931518 1132644744 /nfs/dbraw/zinc/64/47/44/1132644744.db2.gz KQQMGGFOKKQQBM-UHFFFAOYSA-N 0 3 279.387 3.980 20 30 CHEDHN Cc1cc(C#N)c(Nc2ccccc2CN(C)C)cc1F ZINC001173930848 1132644779 /nfs/dbraw/zinc/64/47/79/1132644779.db2.gz AUCKNHMGNJVAOB-UHFFFAOYSA-N 0 3 283.350 3.811 20 30 CHEDHN CN(C)Cc1ccccc1Nc1c(F)cc(C#N)cc1F ZINC001173932601 1132646651 /nfs/dbraw/zinc/64/66/51/1132646651.db2.gz UXFSTTYHEYYYIV-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)N1CCC(C(C)(C)C)CC1 ZINC001157688288 1132739216 /nfs/dbraw/zinc/73/92/16/1132739216.db2.gz DDRKAFAFCIHQTL-INIZCTEOSA-N 0 3 294.483 3.735 20 30 CHEDHN SCc1ccc(NCC2CN(Cc3ccccc3)C2)cc1 ZINC001165468254 1133243180 /nfs/dbraw/zinc/24/31/80/1133243180.db2.gz DCSKKXAQHOROSA-UHFFFAOYSA-N 0 3 298.455 3.660 20 30 CHEDHN Cc1ccc(CN2CCC(c3cccc(C#N)c3)CC2)o1 ZINC001203293757 1133311362 /nfs/dbraw/zinc/31/13/62/1133311362.db2.gz CHRAHLXZFBMGGK-UHFFFAOYSA-N 0 3 280.371 3.839 20 30 CHEDHN C#CCN(Cc1ccc(OC)cc1)[C@@H]1CCc2ccccc21 ZINC001203956096 1133390172 /nfs/dbraw/zinc/39/01/72/1133390172.db2.gz FVGXQPPKDQDBKQ-HXUWFJFHSA-N 0 3 291.394 3.818 20 30 CHEDHN C#CCN(CC)Cc1cccc(COc2ccccc2)c1 ZINC001204898361 1133496919 /nfs/dbraw/zinc/49/69/19/1133496919.db2.gz HVTSKPSXNIUOQC-UHFFFAOYSA-N 0 3 279.383 3.721 20 30 CHEDHN Cc1ccccc1CN(C)Cc1cc(C#N)ccc1N(C)C ZINC001205156749 1133537982 /nfs/dbraw/zinc/53/79/82/1133537982.db2.gz NPXQNFWPXSRLDG-UHFFFAOYSA-N 0 3 293.414 3.565 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc2c(c1)CCCC2 ZINC001205236972 1133548744 /nfs/dbraw/zinc/54/87/44/1133548744.db2.gz FGXCPUDUMURUFL-KSSFIOAISA-N 0 3 270.420 3.778 20 30 CHEDHN C=CCCCCCC[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001205734707 1133607022 /nfs/dbraw/zinc/60/70/22/1133607022.db2.gz DSBLKFWFTMRZMC-UHFFFAOYSA-N 0 3 277.408 3.935 20 30 CHEDHN CC1=CCC[C@H](C)[C@@H]1CN1Cc2ccc(C#N)cc2C1 ZINC001206457832 1133705848 /nfs/dbraw/zinc/70/58/48/1133705848.db2.gz XYRKFKORDOSXRW-KBXCAEBGSA-N 0 3 266.388 3.866 20 30 CHEDHN C=C[C@H](CCCCCCC)OCCCN1CCN(C)CC1 ZINC001206591401 1133724760 /nfs/dbraw/zinc/72/47/60/1133724760.db2.gz UDIGXQHEZPWTGM-GOSISDBHSA-N 0 3 296.499 3.556 20 30 CHEDHN CCCCCCCCN(C)Cc1ccnc(CC)n1 ZINC001207085930 1133766525 /nfs/dbraw/zinc/76/65/25/1133766525.db2.gz ILNYKJGLGUNHFJ-UHFFFAOYSA-N 0 3 263.429 3.831 20 30 CHEDHN CCCCN(CCC#N)CC1CCC(F)(F)CC1 ZINC001207347354 1133793875 /nfs/dbraw/zinc/79/38/75/1133793875.db2.gz QTSRSPUVYVHIFF-UHFFFAOYSA-N 0 3 258.356 3.828 20 30 CHEDHN Cc1cc(CN2CCC(F)(C3CC3)CC2)ccc1C#N ZINC001207716379 1133840685 /nfs/dbraw/zinc/84/06/85/1133840685.db2.gz YLLLSIMXHGYMOO-UHFFFAOYSA-N 0 3 272.367 3.581 20 30 CHEDHN CCCCCCC/C=C/CN1C[C@H]2CC[C@@H](C1)C2=O ZINC001208118312 1133878234 /nfs/dbraw/zinc/87/82/34/1133878234.db2.gz FPCNFDCZJGLFDK-KZQNYRHTSA-N 0 3 263.425 3.814 20 30 CHEDHN COC(C)(C)CCC[C@H](C)CCN1CC[C@](C)(C#N)C1 ZINC001208214516 1133908758 /nfs/dbraw/zinc/90/87/58/1133908758.db2.gz TZWCHOKELLUWJQ-DOTOQJQBSA-N 0 3 280.456 3.843 20 30 CHEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001209164722 1133984165 /nfs/dbraw/zinc/98/41/65/1133984165.db2.gz HYOCOAJKWSHMLP-KBPBESRZSA-N 0 3 276.811 3.569 20 30 CHEDHN CCCN(CCC#N)CCCCOCc1ccccc1 ZINC001209259210 1133998509 /nfs/dbraw/zinc/99/85/09/1133998509.db2.gz RIVDENLZHIHGPI-UHFFFAOYSA-N 0 3 274.408 3.609 20 30 CHEDHN Cc1ccc(C)n1-c1ccc(CN2CCC(C#N)CC2)cc1 ZINC001209519502 1134034398 /nfs/dbraw/zinc/03/43/98/1134034398.db2.gz WKATYYLQVQWMQN-UHFFFAOYSA-N 0 3 293.414 3.830 20 30 CHEDHN C#Cc1ccc(Nc2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC001210119430 1134152049 /nfs/dbraw/zinc/15/20/49/1134152049.db2.gz LQEZMKRLZBWFQK-GOSISDBHSA-N 0 3 292.382 3.797 20 30 CHEDHN C=CCOc1ccccc1CO[C@H]1CNCc2ccccc21 ZINC001217938377 1135027654 /nfs/dbraw/zinc/02/76/54/1135027654.db2.gz NLWHNJINXJPGGE-IBGZPJMESA-N 0 3 295.382 3.613 20 30 CHEDHN C=C(C)c1ccc(O[C@@H]2CNCc3ccccc32)cc1 ZINC001218485630 1135114271 /nfs/dbraw/zinc/11/42/71/1135114271.db2.gz ABESEWOLFPLLRW-GOSISDBHSA-N 0 3 265.356 3.943 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2ccncc2c1 ZINC001218887883 1135122270 /nfs/dbraw/zinc/12/22/70/1135122270.db2.gz AHTQVJKRCPTBJE-KRWDZBQOSA-N 0 3 297.402 3.637 20 30 CHEDHN CC[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000312954107 1135135408 /nfs/dbraw/zinc/13/54/08/1135135408.db2.gz JUUYQMMVLLTEGT-QWHCGFSZSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCCCCCO[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001224427949 1135447466 /nfs/dbraw/zinc/44/74/66/1135447466.db2.gz NNVBSDAOEKOEAH-IAGOWNOFSA-N 0 3 288.435 3.980 20 30 CHEDHN C=CCCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000298068883 260142999 /nfs/dbraw/zinc/14/29/99/260142999.db2.gz KURZRBDMIXWZNR-UHFFFAOYSA-N 0 3 269.772 3.500 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(C#N)c1 ZINC000122873058 187057336 /nfs/dbraw/zinc/05/73/36/187057336.db2.gz CKPWNYUOZFABHO-CQSZACIVSA-N 0 3 275.355 3.623 20 30 CHEDHN CC[C@@](C)(NCCCC(C)(C)C#N)c1nc(C)cs1 ZINC000174881355 261587945 /nfs/dbraw/zinc/58/79/45/261587945.db2.gz GHEBMQXMWSCTHP-OAHLLOKOSA-N 0 3 279.453 3.996 20 30 CHEDHN C=C[C@@H](C)N[C@H]1CCCc2c(Br)cccc21 ZINC000336745309 262009221 /nfs/dbraw/zinc/00/92/21/262009221.db2.gz QPSLHZVERGZQBQ-YGRLFVJLSA-N 0 3 280.209 3.991 20 30 CHEDHN CC(C#N)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000347066669 533117509 /nfs/dbraw/zinc/11/75/09/533117509.db2.gz KKUITOFDBRSITK-SMDDNHRTSA-N 0 3 276.355 3.579 20 30 CHEDHN C=CCOc1ccc(CN(C)CC(=C)C)cc1Cl ZINC000497260127 262128851 /nfs/dbraw/zinc/12/88/51/262128851.db2.gz IIIVGRFWDLAOSU-UHFFFAOYSA-N 0 3 265.784 3.913 20 30 CHEDHN CN(CCCOc1cccc(C#N)c1)Cc1cccs1 ZINC000035717399 260034907 /nfs/dbraw/zinc/03/49/07/260034907.db2.gz FDDARIVGZWWTAD-UHFFFAOYSA-N 0 3 286.400 3.521 20 30 CHEDHN COc1c2ccccc2oc1CNCC(C)(C)CCC#N ZINC000353187155 533451650 /nfs/dbraw/zinc/45/16/50/533451650.db2.gz ZTGAAUYEYKCENB-UHFFFAOYSA-N 0 3 286.375 3.861 20 30 CHEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000347295769 533494078 /nfs/dbraw/zinc/49/40/78/533494078.db2.gz CHKPUUPYSBNMPP-CZUORRHYSA-N 0 3 272.392 3.577 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCCC(C)(C)CC1 ZINC000347247143 533494764 /nfs/dbraw/zinc/49/47/64/533494764.db2.gz YSAKXWPSLMDFAQ-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1C(C)C ZINC000347268560 533495293 /nfs/dbraw/zinc/49/52/93/533495293.db2.gz ULOJSGBYDSUCEM-INIZCTEOSA-N 0 3 272.392 3.577 20 30 CHEDHN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cccc(C#N)c1 ZINC000344340158 533515550 /nfs/dbraw/zinc/51/55/50/533515550.db2.gz XUTSNPZURRYRBD-FZKQIMNGSA-N 0 3 277.371 3.755 20 30 CHEDHN Cc1cc(CN2CCC[C@@H]2c2ccncc2)ccc1C#N ZINC000335996963 533606192 /nfs/dbraw/zinc/60/61/92/533606192.db2.gz JXHGMYBJZCHOII-GOSISDBHSA-N 0 3 277.371 3.599 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3ccccc32)cc1 ZINC000020133664 171021700 /nfs/dbraw/zinc/02/17/00/171021700.db2.gz RHPYBEHNBBKHNL-SFHVURJKSA-N 0 3 262.356 3.725 20 30 CHEDHN C=CCOc1ccc(CNCc2cccc(C)c2)cc1 ZINC000020134414 171022235 /nfs/dbraw/zinc/02/22/35/171022235.db2.gz CNSABZMKAOHPCG-UHFFFAOYSA-N 0 3 267.372 3.850 20 30 CHEDHN CN(Cc1ccc(C#N)cc1F)C1CCCCCC1 ZINC000035175704 172028699 /nfs/dbraw/zinc/02/86/99/172028699.db2.gz NAQHCNVXNBXQOO-UHFFFAOYSA-N 0 3 260.356 3.852 20 30 CHEDHN N#Cc1cccc(CNC[C@H]2SCCc3ccccc32)c1 ZINC000344761665 225157337 /nfs/dbraw/zinc/15/73/37/225157337.db2.gz PVDHSQXRNVOZPR-GOSISDBHSA-N 0 3 294.423 3.678 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1cnn(Cc2ccccc2)c1 ZINC000347255855 226102786 /nfs/dbraw/zinc/10/27/86/226102786.db2.gz VIVYFHMHKJUHOM-HNNXBMFYSA-N 0 3 296.418 3.522 20 30 CHEDHN N#CC1CCN(Cc2ccc(C3CCC3)cc2)CC1 ZINC000336462301 227036793 /nfs/dbraw/zinc/03/67/93/227036793.db2.gz LISOLBLJNRTNRQ-UHFFFAOYSA-N 0 3 254.377 3.690 20 30 CHEDHN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C#N)cc2)C1 ZINC000336520885 227091063 /nfs/dbraw/zinc/09/10/63/227091063.db2.gz KQOVVBFLCGBSJU-KSSFIOAISA-N 0 3 277.371 3.536 20 30 CHEDHN CC(C#N)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 ZINC000354761412 227091195 /nfs/dbraw/zinc/09/11/95/227091195.db2.gz MISQJFGBARZSFB-UONOGXRCSA-N 0 3 270.376 3.536 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(C#N)s2)CC12CCC2 ZINC000354899694 227218471 /nfs/dbraw/zinc/21/84/71/227218471.db2.gz PGSONRNDSFFRKZ-LBPRGKRZSA-N 0 3 260.406 3.632 20 30 CHEDHN C[C@H](NCc1ccc2ncccc2c1)c1ccc(C#N)cc1 ZINC000192940636 227397977 /nfs/dbraw/zinc/39/79/77/227397977.db2.gz WDBBTCUTNNYYFA-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3occc31)CC2 ZINC000353429141 228100742 /nfs/dbraw/zinc/10/07/42/228100742.db2.gz SGZISUHIPPELQW-IRXDYDNUSA-N 0 3 278.355 3.806 20 30 CHEDHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000335980658 228174857 /nfs/dbraw/zinc/17/48/57/228174857.db2.gz WPSYTEOYTKSUGY-CMPLNLGQSA-N 0 3 282.309 3.926 20 30 CHEDHN CC(C#N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000336130726 228193345 /nfs/dbraw/zinc/19/33/45/228193345.db2.gz XDKXYVRKNMCARD-IUCAKERBSA-N 0 3 297.185 3.599 20 30 CHEDHN C[C@H]1C[C@@H](c2cccnc2)N(Cc2cccc(C#N)c2)C1 ZINC000336146694 228197583 /nfs/dbraw/zinc/19/75/83/228197583.db2.gz PILBDDHZGHACTI-KSSFIOAISA-N 0 3 277.371 3.536 20 30 CHEDHN N#C[C@H]1CC[C@@H](NC2(c3ccc(Cl)cc3)CC2)C1 ZINC000336170915 228202983 /nfs/dbraw/zinc/20/29/83/228202983.db2.gz LGJXSUBMXASZDJ-SMDDNHRTSA-N 0 3 260.768 3.611 20 30 CHEDHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC1CCC(C)(C#N)CC1 ZINC000336219284 228215777 /nfs/dbraw/zinc/21/57/77/228215777.db2.gz KNNGZLKGZMFKHI-NYMYAYCPSA-N 0 3 288.366 3.710 20 30 CHEDHN CSc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000037501707 260113729 /nfs/dbraw/zinc/11/37/29/260113729.db2.gz UNELUMPVQLIHDR-UHFFFAOYSA-N 0 3 268.385 3.570 20 30 CHEDHN C=CCCN(C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000298134303 260145251 /nfs/dbraw/zinc/14/52/51/260145251.db2.gz QHZKAUZGCHSFGP-UHFFFAOYSA-N 0 3 275.421 3.590 20 30 CHEDHN C[C@@H](NCc1cccc2[nH]ccc21)c1ccc(C#N)cc1 ZINC000070939085 260158643 /nfs/dbraw/zinc/15/86/43/260158643.db2.gz CVVDQBATRUNBFY-CYBMUJFWSA-N 0 3 275.355 3.890 20 30 CHEDHN C=CCC(C)(C)CN[C@H](C)c1nc2ccccc2n1C ZINC000312584938 260160971 /nfs/dbraw/zinc/16/09/71/260160971.db2.gz VTXCSFDNNRDUKF-CYBMUJFWSA-N 0 3 271.408 3.826 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)s1 ZINC000309838653 260194047 /nfs/dbraw/zinc/19/40/47/260194047.db2.gz BZAHBMZNMBKTHN-KXUCPTDWSA-N 0 3 254.786 3.744 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@@H](C)c1nnc(C(C)C)[n-]1 ZINC000449207929 260294757 /nfs/dbraw/zinc/29/47/57/260294757.db2.gz RTPZGCTVTIMCMG-STQMWFEESA-N 0 3 264.417 3.714 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000449207929 260294758 /nfs/dbraw/zinc/29/47/58/260294758.db2.gz RTPZGCTVTIMCMG-STQMWFEESA-N 0 3 264.417 3.714 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cc2ccccc2o1 ZINC000090451150 260359436 /nfs/dbraw/zinc/35/94/36/260359436.db2.gz RBRNPBBILPSXCP-ZDUSSCGKSA-N 0 3 259.349 3.676 20 30 CHEDHN COc1ccc([C@H]2CCCN2CCC(C)(C)C#N)cc1 ZINC000157396379 260834785 /nfs/dbraw/zinc/83/47/85/260834785.db2.gz MSPRLGVBFUMYNU-MRXNPFEDSA-N 0 3 272.392 3.772 20 30 CHEDHN CC[C@@H](CC#N)NC[C@H](C)c1cccc(Br)c1 ZINC000184085532 262007882 /nfs/dbraw/zinc/00/78/82/262007882.db2.gz QSNJBBVNDCGBTD-FZMZJTMJSA-N 0 3 295.224 3.834 20 30 CHEDHN C[C@@H]([NH2+]CCCCC#N)c1cc2c(cc1[O-])CCCC2 ZINC000185339402 262051539 /nfs/dbraw/zinc/05/15/39/262051539.db2.gz CFPLMDNAWZKVNL-CYBMUJFWSA-N 0 3 272.392 3.615 20 30 CHEDHN CC(C)(COCc1ccccc1)NCc1ccc(C#N)cc1 ZINC000390007094 262073281 /nfs/dbraw/zinc/07/32/81/262073281.db2.gz BUTUALRNDPJPDY-UHFFFAOYSA-N 0 3 294.398 3.643 20 30 CHEDHN Cc1ccccc1[C@H](C)N(C)CCOc1ccccc1C#N ZINC000497485736 262168493 /nfs/dbraw/zinc/16/84/93/262168493.db2.gz JWBHZCUKNQDPTD-INIZCTEOSA-N 0 3 294.398 3.939 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000192623172 262206726 /nfs/dbraw/zinc/20/67/26/262206726.db2.gz QAFMPXGXIVULGT-GXTWGEPZSA-N 0 3 282.309 3.877 20 30 CHEDHN C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000184674662 262292108 /nfs/dbraw/zinc/29/21/08/262292108.db2.gz YIQDWMDNVKFDKE-CQSZACIVSA-N 0 3 294.398 3.636 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1CCC12CCC2 ZINC000337537927 262456791 /nfs/dbraw/zinc/45/67/91/262456791.db2.gz ZCCGLSVTMVHIST-MRXNPFEDSA-N 0 3 257.377 3.674 20 30 CHEDHN C=CCOCCN(C)Cc1c2ccccc2oc1CC ZINC000338879513 262566855 /nfs/dbraw/zinc/56/68/55/262566855.db2.gz FHPQZINKMKOMPJ-UHFFFAOYSA-N 0 3 273.376 3.630 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CCCc2ccc(F)cc21 ZINC000414175834 262814579 /nfs/dbraw/zinc/81/45/79/262814579.db2.gz ZVHAPYHPHBVKRW-OAHLLOKOSA-N 0 3 260.356 3.733 20 30 CHEDHN CC(C)N(CCC(C)(C)C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000271996940 263000985 /nfs/dbraw/zinc/00/09/85/263000985.db2.gz GIQBIUXWYVVMBC-UHFFFAOYSA-N 0 3 289.379 3.745 20 30 CHEDHN COc1cc(C)c([C@@H](C)NCCC(C)(C)C#N)cc1OC ZINC000272046542 263001770 /nfs/dbraw/zinc/00/17/70/263001770.db2.gz SEHRLAGCLASJQC-CYBMUJFWSA-N 0 3 290.407 3.603 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(N2CCCCC2)c(F)c1 ZINC000273187637 263013609 /nfs/dbraw/zinc/01/36/09/263013609.db2.gz GGHLZKILKRKSFD-AWEZNQCLSA-N 0 3 289.398 3.770 20 30 CHEDHN Cc1c([C@H](C)NCCCC#N)cnn1-c1cc(C)ccc1C ZINC000273293221 263014857 /nfs/dbraw/zinc/01/48/57/263014857.db2.gz SQQVTWZPINTBCX-HNNXBMFYSA-N 0 3 296.418 3.752 20 30 CHEDHN Cc1nc2ccccc2c(N2CCC(C)(C#N)CC2)c1C ZINC000273343683 263015667 /nfs/dbraw/zinc/01/56/67/263015667.db2.gz OBOSINZHWGALNC-UHFFFAOYSA-N 0 3 279.387 3.982 20 30 CHEDHN C[C@H](CCC#N)N(C)CCc1ccc(Br)cc1 ZINC000276322616 263036151 /nfs/dbraw/zinc/03/61/51/263036151.db2.gz PEVZMRARDIVYKS-GFCCVEGCSA-N 0 3 295.224 3.616 20 30 CHEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000274560248 263026251 /nfs/dbraw/zinc/02/62/51/263026251.db2.gz YJYQBQISNVVWAL-NVBFEUDRSA-N 0 3 264.319 3.698 20 30 CHEDHN C[C@@H](CN1CCC(C)(C#N)CC1)c1ccc(F)cc1 ZINC000276340950 263036412 /nfs/dbraw/zinc/03/64/12/263036412.db2.gz YTVNNSRGPHQSPI-ZDUSSCGKSA-N 0 3 260.356 3.555 20 30 CHEDHN Cc1csc(C(C)(C)NCCCCC(C)(C)C#N)n1 ZINC000277865159 263044207 /nfs/dbraw/zinc/04/42/07/263044207.db2.gz YITAZVCBRJWLCV-UHFFFAOYSA-N 0 3 279.453 3.996 20 30 CHEDHN CC(C)(C#N)CCCCN(Cc1ccccn1)C1CC1 ZINC000277879427 263044213 /nfs/dbraw/zinc/04/42/13/263044213.db2.gz ZDSXEFOFYWWQLW-UHFFFAOYSA-N 0 3 271.408 3.766 20 30 CHEDHN CN(Cc1ccccc1C(F)(F)F)[C@@H]1CC[C@H](C#N)C1 ZINC000278564445 263048764 /nfs/dbraw/zinc/04/87/64/263048764.db2.gz ISHQVBDDOXBNSH-WCQYABFASA-N 0 3 282.309 3.829 20 30 CHEDHN Cc1ccc(C)c(OC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000278761271 263050612 /nfs/dbraw/zinc/05/06/12/263050612.db2.gz XVOARCDFFCCVRN-IAGOWNOFSA-N 0 3 298.430 3.839 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281102256 263066502 /nfs/dbraw/zinc/06/65/02/263066502.db2.gz AMZXCALENONYJX-RISCZKNCSA-N 0 3 284.325 3.918 20 30 CHEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000281146777 263066789 /nfs/dbraw/zinc/06/67/89/263066789.db2.gz BCZYUYNNUAJLJJ-FUHWJXTLSA-N 0 3 298.430 3.780 20 30 CHEDHN C[C@H]1c2ccccc2CCN1CCCC1(C#N)CCOCC1 ZINC000282039379 263073889 /nfs/dbraw/zinc/07/38/89/263073889.db2.gz QTDDLJILLTYTNL-INIZCTEOSA-N 0 3 298.430 3.706 20 30 CHEDHN CCCCCCCCCCN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000286239762 263097655 /nfs/dbraw/zinc/09/76/55/263097655.db2.gz TXGCBGCAFCXVDI-AWEZNQCLSA-N 0 3 279.428 3.561 20 30 CHEDHN CC(C)(C#N)CCCCN1CCCc2occc2C1 ZINC000288885299 263106412 /nfs/dbraw/zinc/10/64/12/263106412.db2.gz RIOQEQKASRWBSJ-UHFFFAOYSA-N 0 3 260.381 3.748 20 30 CHEDHN N#CCCCCNCc1ccc(Sc2ccccn2)o1 ZINC000293131625 263138021 /nfs/dbraw/zinc/13/80/21/263138021.db2.gz YZCQHCBAMBVBRY-UHFFFAOYSA-N 0 3 287.388 3.609 20 30 CHEDHN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000293374793 263139689 /nfs/dbraw/zinc/13/96/89/263139689.db2.gz FYVNEEACHFBFBJ-HKUYNNGSSA-N 0 3 297.446 3.801 20 30 CHEDHN C=C(CNCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000340434027 263144956 /nfs/dbraw/zinc/14/49/56/263144956.db2.gz LHCIVQSLARGJTF-UHFFFAOYSA-N 0 3 289.382 3.675 20 30 CHEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)[C@H]1c1cccs1 ZINC000293668379 263146231 /nfs/dbraw/zinc/14/62/31/263146231.db2.gz UPUQHJCZYYBVHH-SCRDCRAPSA-N 0 3 260.406 3.823 20 30 CHEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cccs1 ZINC000293668377 263146355 /nfs/dbraw/zinc/14/63/55/263146355.db2.gz UPUQHJCZYYBVHH-OUCADQQQSA-N 0 3 260.406 3.823 20 30 CHEDHN CCOc1ccc(C2=CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293715991 263147673 /nfs/dbraw/zinc/14/76/73/263147673.db2.gz FFNUANAALDWXHS-QAPCUYQASA-N 0 3 296.414 3.867 20 30 CHEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccnn1C ZINC000340446417 263152613 /nfs/dbraw/zinc/15/26/13/263152613.db2.gz OHLTUPYMHYNKQV-HOCLYGCPSA-N 0 3 282.391 3.506 20 30 CHEDHN CC(C)(CCC#N)CNCc1cccc(C(F)(F)F)n1 ZINC000294766718 263167404 /nfs/dbraw/zinc/16/74/04/263167404.db2.gz JUNZSFRUYNIGPI-UHFFFAOYSA-N 0 3 285.313 3.520 20 30 CHEDHN CC(C)Oc1cccc(CN(C)[C@H](C)CCC#N)c1 ZINC000299563576 263247623 /nfs/dbraw/zinc/24/76/23/263247623.db2.gz GVDFZZDTDVDRND-CQSZACIVSA-N 0 3 260.381 3.598 20 30 CHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC)c1ccccc1 ZINC000341185704 263329108 /nfs/dbraw/zinc/32/91/08/263329108.db2.gz AYHAPXGTAZEJPQ-RDJZCZTQSA-N 0 3 288.435 3.540 20 30 CHEDHN C=CCN[C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000342016782 263378836 /nfs/dbraw/zinc/37/88/36/263378836.db2.gz JYTMXLQOEXRSSB-ZDUSSCGKSA-N 0 3 274.191 3.847 20 30 CHEDHN C=CCCN(C)Cc1cccc(Cl)c1OCC ZINC000425956452 264225528 /nfs/dbraw/zinc/22/55/28/264225528.db2.gz DFNDVVGKZSJUDT-UHFFFAOYSA-N 0 3 253.773 3.747 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)C1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331358635 264208474 /nfs/dbraw/zinc/20/84/74/264208474.db2.gz VLEWTHWOFZVEAZ-XHBSWPGZSA-N 0 3 285.391 3.549 20 30 CHEDHN CC1(C)CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000357810424 266369344 /nfs/dbraw/zinc/36/93/44/266369344.db2.gz SAQDPKRYBRNCPD-UHFFFAOYSA-N 0 3 281.403 3.823 20 30 CHEDHN N#CCCCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000369233143 267228641 /nfs/dbraw/zinc/22/86/41/267228641.db2.gz YKYZCVOJTJRYCS-OAHLLOKOSA-N 0 3 264.319 3.796 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000119345902 267323942 /nfs/dbraw/zinc/32/39/42/267323942.db2.gz BVTMJGDUEABZRN-MNOVXSKESA-N 0 3 273.405 3.739 20 30 CHEDHN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(CC#N)cc2)C1 ZINC000347173319 533698885 /nfs/dbraw/zinc/69/88/85/533698885.db2.gz SLQJREODBICTRY-BEFAXECRSA-N 0 3 291.398 3.731 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCCOc3ccccc32)C1 ZINC000185809428 327845702 /nfs/dbraw/zinc/84/57/02/327845702.db2.gz PUXSIKXMMQYGPA-SQWLQELKSA-N 0 3 270.376 3.572 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2OCC2CC2)C1 ZINC000185837204 327847303 /nfs/dbraw/zinc/84/73/03/327847303.db2.gz GRSSGHBXEKXXSD-WBVHZDCISA-N 0 3 284.403 3.647 20 30 CHEDHN C=CCC[C@@H](C)NCc1cc(-c2ccccc2)on1 ZINC000570974979 327967682 /nfs/dbraw/zinc/96/76/82/327967682.db2.gz XAQAKTOWZCAMKV-CYBMUJFWSA-N 0 3 256.349 3.786 20 30 CHEDHN CN(Cc1cc(C#N)n(C)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000563662406 328082372 /nfs/dbraw/zinc/08/23/72/328082372.db2.gz DLIPBDKATIJCOV-UHFFFAOYSA-N 0 3 295.430 3.826 20 30 CHEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000534463270 328130549 /nfs/dbraw/zinc/13/05/49/328130549.db2.gz DUSJMASIBKUKJS-ZDUSSCGKSA-N 0 3 286.419 3.538 20 30 CHEDHN C=C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000269014307 328188645 /nfs/dbraw/zinc/18/86/45/328188645.db2.gz WFJPUDPXEOFOOP-UHFFFAOYSA-N 0 3 254.377 3.640 20 30 CHEDHN CN(Cc1cc(Br)cs1)[C@H]1CC[C@@H](C#N)C1 ZINC000293601895 328276978 /nfs/dbraw/zinc/27/69/78/328276978.db2.gz VCLRVWMKNCVEFL-KOLCDFICSA-N 0 3 299.237 3.635 20 30 CHEDHN CN(Cc1cc(Br)cs1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293601898 328277067 /nfs/dbraw/zinc/27/70/67/328277067.db2.gz VCLRVWMKNCVEFL-MWLCHTKSSA-N 0 3 299.237 3.635 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1cc(F)ccc1F ZINC000296286243 328290027 /nfs/dbraw/zinc/29/00/27/328290027.db2.gz FEXZDFRFKPUDRM-GVXVVHGQSA-N 0 3 264.319 3.698 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1csc(Cl)c1 ZINC000191380771 328507859 /nfs/dbraw/zinc/50/78/59/328507859.db2.gz YFEZGYXTZZUPPI-SNVBAGLBSA-N 0 3 259.802 3.645 20 30 CHEDHN Cc1nccn1-c1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000348406482 328579398 /nfs/dbraw/zinc/57/93/98/328579398.db2.gz SSIKEOHKBJYKEK-CQSZACIVSA-N 0 3 294.402 3.525 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Br)cs1 ZINC000424318672 330339815 /nfs/dbraw/zinc/33/98/15/330339815.db2.gz DFDUNFVPGNHLGZ-WCABBAIRSA-N 0 3 299.237 3.853 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@H]1CCCCC12CCCC2 ZINC000564868664 327038529 /nfs/dbraw/zinc/03/85/29/327038529.db2.gz HSIHFWGQQIIEJU-CABCVRRESA-N 0 3 259.397 3.523 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)N(CCN1CCCCCC1)C(C)C ZINC000557996498 327039060 /nfs/dbraw/zinc/03/90/60/327039060.db2.gz JIDQGLSKBIBQPO-QGZVFWFLSA-N 0 3 294.483 3.702 20 30 CHEDHN Cc1csc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000344609697 327047280 /nfs/dbraw/zinc/04/72/80/327047280.db2.gz JHTFOWPRMBLATE-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CCC#N)CC1 ZINC000584229830 327069968 /nfs/dbraw/zinc/06/99/68/327069968.db2.gz UKBUKHKPLXTNRM-AWEZNQCLSA-N 0 3 267.376 3.635 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000558108754 327074188 /nfs/dbraw/zinc/07/41/88/327074188.db2.gz GXBFWXOEMWHTGL-KRWDZBQOSA-N 0 3 274.383 3.729 20 30 CHEDHN CC(C)(C#N)CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000558116444 327074630 /nfs/dbraw/zinc/07/46/30/327074630.db2.gz ISQIKJLFYDFYGK-HUUCEWRRSA-N 0 3 292.810 3.699 20 30 CHEDHN C=CCCCC[C@H](C)NCc1cccc(OC)c1OC ZINC000553611969 327103201 /nfs/dbraw/zinc/10/32/01/327103201.db2.gz NYINSFGTIOTKQE-AWEZNQCLSA-N 0 3 277.408 3.928 20 30 CHEDHN C[C@H](Cc1ccc(Cl)cc1)N(C)CCCC#N ZINC000076732853 327130759 /nfs/dbraw/zinc/13/07/59/327130759.db2.gz LJYZODKGNHKTDJ-GFCCVEGCSA-N 0 3 250.773 3.507 20 30 CHEDHN CN(CCCCc1ccccc1)Cc1ccc(C#N)o1 ZINC000091955733 327187910 /nfs/dbraw/zinc/18/79/10/327187910.db2.gz ZFHLQOCWRZAKJL-UHFFFAOYSA-N 0 3 268.360 3.606 20 30 CHEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000092224284 327190538 /nfs/dbraw/zinc/19/05/38/327190538.db2.gz RRPRKHGVWJOZGS-KRWDZBQOSA-N 0 3 295.386 3.545 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)o2)CC[C@@H]1c1ccccc1 ZINC000093668239 327199246 /nfs/dbraw/zinc/19/92/46/327199246.db2.gz QWHLRCBTQYTSIO-KDOFPFPSSA-N 0 3 280.371 3.777 20 30 CHEDHN CCCCN(C(=O)C(C)C#N)[C@H](C)c1ccccc1 ZINC000531061225 327236582 /nfs/dbraw/zinc/23/65/82/327236582.db2.gz OTFYRTMHYJZPPY-ZIAGYGMSSA-N 0 3 258.365 3.536 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)CC1CCCCC1 ZINC000042340343 327237596 /nfs/dbraw/zinc/23/75/96/327237596.db2.gz KVAYLJNWSKNPJN-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN Cc1cccc(OCCN[C@H](C)c2cccc(C#N)c2)c1 ZINC000042895673 327242599 /nfs/dbraw/zinc/24/25/99/327242599.db2.gz ZZZPNAIAWDWJDX-OAHLLOKOSA-N 0 3 280.371 3.596 20 30 CHEDHN C[C@@H]1C[C@@H](NCC2(C#N)CC2)C[C@H](c2ccccc2)C1 ZINC000555709782 327249611 /nfs/dbraw/zinc/24/96/11/327249611.db2.gz LMXJJXAVEHIMCD-USXIJHARSA-N 0 3 268.404 3.852 20 30 CHEDHN N#CC1(CN[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000560146012 327287036 /nfs/dbraw/zinc/28/70/36/327287036.db2.gz JUCZFOOFGWISTE-ZFWWWQNUSA-N 0 3 274.795 3.869 20 30 CHEDHN Cn1cc(CN2CC[C@H](c3cccc(Cl)c3)C2)cc1C#N ZINC000560569701 327325581 /nfs/dbraw/zinc/32/55/81/327325581.db2.gz PQAXTQFAWXGUTD-HNNXBMFYSA-N 0 3 299.805 3.540 20 30 CHEDHN C[C@H](NCC1(C(F)(F)F)CC1)c1ccc(C#N)cc1 ZINC000507273590 332801526 /nfs/dbraw/zinc/80/15/26/332801526.db2.gz SRUKBMHWYSRIKY-JTQLQIEISA-N 0 3 268.282 3.551 20 30 CHEDHN N#CCCC1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000569967405 327558692 /nfs/dbraw/zinc/55/86/92/327558692.db2.gz XNLNRHWAWLEYLM-UHFFFAOYSA-N 0 3 278.346 3.523 20 30 CHEDHN N#CCCC1CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000570515334 327596654 /nfs/dbraw/zinc/59/66/54/327596654.db2.gz PZGMFRVYBWMJHH-UHFFFAOYSA-N 0 3 298.430 3.991 20 30 CHEDHN C[C@@H](NC/C=C/c1ccccc1)c1ccc(C#N)cc1 ZINC000051790048 328634108 /nfs/dbraw/zinc/63/41/08/328634108.db2.gz BJCJEZNNQVOPCQ-SBJJXXPASA-N 0 3 262.356 3.922 20 30 CHEDHN C=C[C@@H](C)N[C@@H]1CCc2ccc(Br)cc21 ZINC000308830708 332819706 /nfs/dbraw/zinc/81/97/06/332819706.db2.gz TUZYKMLHZLXCTH-NOZJJQNGSA-N 0 3 266.182 3.601 20 30 CHEDHN CC(C)(C#N)CCCCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377784818 329029391 /nfs/dbraw/zinc/02/93/91/329029391.db2.gz PXFASWWIHNJGCP-CVEARBPZSA-N 0 3 290.451 3.740 20 30 CHEDHN CCO[C@H](CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000193523973 329058456 /nfs/dbraw/zinc/05/84/56/329058456.db2.gz QHKIMZWOCALMFH-DNVCBOLYSA-N 0 3 294.398 3.987 20 30 CHEDHN CC1(C)CN(Cc2cc(C#N)ccc2F)[C@@H]2CCC[C@@H]21 ZINC000393542600 329087401 /nfs/dbraw/zinc/08/74/01/329087401.db2.gz FNNCRSNPACNYDH-GOEBONIOSA-N 0 3 272.367 3.708 20 30 CHEDHN CC1(C)CN(Cc2cccc(C#N)c2F)[C@@H]2CCC[C@@H]21 ZINC000394462635 329116799 /nfs/dbraw/zinc/11/67/99/329116799.db2.gz WEPFBHMTCQNSOV-LSDHHAIUSA-N 0 3 272.367 3.708 20 30 CHEDHN CC1(C)CN(Cc2cccc(C#N)c2F)[C@H]2CCC[C@H]21 ZINC000394462628 329116963 /nfs/dbraw/zinc/11/69/63/329116963.db2.gz WEPFBHMTCQNSOV-CABCVRRESA-N 0 3 272.367 3.708 20 30 CHEDHN C=CCN1CCC(N[C@@H](C)c2ccccc2Cl)CC1 ZINC000177313455 329185991 /nfs/dbraw/zinc/18/59/91/329185991.db2.gz ZJZQRWNDSGGEEL-ZDUSSCGKSA-N 0 3 278.827 3.641 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2ccsc2)cc1 ZINC000178024539 329191164 /nfs/dbraw/zinc/19/11/64/329191164.db2.gz ZCFYNDXOIQJYKA-CYBMUJFWSA-N 0 3 271.385 3.611 20 30 CHEDHN COc1cc(Cl)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185836132 329330044 /nfs/dbraw/zinc/33/00/44/329330044.db2.gz XJTQGLVCOJCCKR-SMDDNHRTSA-N 0 3 278.783 3.521 20 30 CHEDHN Cc1cc(CNCc2ccc(CC#N)cc2)c(C)s1 ZINC000572242589 329960538 /nfs/dbraw/zinc/96/05/38/329960538.db2.gz RPJUWEARFHSYCC-UHFFFAOYSA-N 0 3 270.401 3.721 20 30 CHEDHN C#CC[C@@H](N[C@H](C)c1cccc(CO)c1)c1ccccc1 ZINC000271874344 330082618 /nfs/dbraw/zinc/08/26/18/330082618.db2.gz HADOGIXJZNBSJF-DNVCBOLYSA-N 0 3 279.383 3.594 20 30 CHEDHN C=CCC[C@@H](C)N[C@@H](CCOC)c1ccc(C)o1 ZINC000273215028 330090449 /nfs/dbraw/zinc/09/04/49/330090449.db2.gz AAHNRDIZQWCLJJ-OCCSQVGLSA-N 0 3 251.370 3.610 20 30 CHEDHN C#CCCN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000273301225 330090667 /nfs/dbraw/zinc/09/06/67/330090667.db2.gz MZDDWUHBTPLGIX-LLVKDONJSA-N 0 3 288.391 3.932 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)c1ccsc1)c1ccco1 ZINC000276464084 330113829 /nfs/dbraw/zinc/11/38/29/330113829.db2.gz OLAPALKDRIBHMY-KGLIPLIRSA-N 0 3 277.389 3.672 20 30 CHEDHN C[C@H](NCc1ccc2c(c1)CCCN2)c1cccc(C#N)c1 ZINC000423438704 330201560 /nfs/dbraw/zinc/20/15/60/330201560.db2.gz HDPAEMZAWLFOCO-AWEZNQCLSA-N 0 3 291.398 3.767 20 30 CHEDHN Cc1ncccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000527989358 330299090 /nfs/dbraw/zinc/29/90/90/330299090.db2.gz YCKUABJGYJUNJY-LJQANCHMSA-N 0 3 291.398 3.819 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(Cl)sc1Cl ZINC000424167849 330309914 /nfs/dbraw/zinc/30/99/14/330309914.db2.gz DNABCSCBYSIRGK-WPRPVWTQSA-N 0 3 292.231 3.736 20 30 CHEDHN CC(C)n1cncc1CN[C@H](CCCC#N)c1ccccc1 ZINC000424169035 330310597 /nfs/dbraw/zinc/31/05/97/330310597.db2.gz GQYIUKQOSWUQCN-GOSISDBHSA-N 0 3 296.418 3.989 20 30 CHEDHN C[C@H](CNCc1ccc(C#N)cc1F)Cc1cccs1 ZINC000532987141 330323262 /nfs/dbraw/zinc/32/32/62/330323262.db2.gz SADFLKBZPVMTLD-LBPRGKRZSA-N 0 3 288.391 3.727 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000424191431 330323751 /nfs/dbraw/zinc/32/37/51/330323751.db2.gz HLQDSSPEOOZQAC-SWLSCSKDSA-N 0 3 284.334 3.868 20 30 CHEDHN C=CCCN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533065500 330325694 /nfs/dbraw/zinc/32/56/94/330325694.db2.gz WTAQAPWBRCPJIF-INIZCTEOSA-N 0 3 269.392 3.676 20 30 CHEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc2ccccc21 ZINC000424206482 330327731 /nfs/dbraw/zinc/32/77/31/330327731.db2.gz WNJLQWVZEBAOSW-XJKSGUPXSA-N 0 3 280.371 3.630 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCCC2)c(F)c1 ZINC000044352391 330329326 /nfs/dbraw/zinc/32/93/26/330329326.db2.gz YMBMKAICDQJVFT-QGZVFWFLSA-N 0 3 272.367 3.852 20 30 CHEDHN COc1ccc([C@H](C)NCCCCC#N)c(Cl)c1 ZINC000424273633 330333315 /nfs/dbraw/zinc/33/33/15/330333315.db2.gz UCHHAVIFERGRCL-NSHDSACASA-N 0 3 266.772 3.693 20 30 CHEDHN CC1(C)C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424325436 330341167 /nfs/dbraw/zinc/34/11/67/330341167.db2.gz KTWYCUZGIKKVFL-ZENOOKHLSA-N 0 3 254.377 3.691 20 30 CHEDHN C=C(CC)CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000536881743 330360758 /nfs/dbraw/zinc/36/07/58/330360758.db2.gz PATXOMFWTZWIAZ-UHFFFAOYSA-N 0 3 298.430 3.509 20 30 CHEDHN C=C(CC)CN1CCC(C(=O)c2ccccc2)CC1 ZINC000536883347 330361100 /nfs/dbraw/zinc/36/11/00/330361100.db2.gz YIZZTPWHDHQVNX-UHFFFAOYSA-N 0 3 257.377 3.548 20 30 CHEDHN CC[C@H](NCCCC(C)(C)C#N)c1nccs1 ZINC000087598459 330373747 /nfs/dbraw/zinc/37/37/47/330373747.db2.gz DQYMWDYTLOXBLI-NSHDSACASA-N 0 3 251.399 3.514 20 30 CHEDHN CN(C/C=C/c1ccccc1)Cc1cccc(C#N)c1 ZINC000058000201 330381746 /nfs/dbraw/zinc/38/17/46/330381746.db2.gz IECGRUIPJRJDDI-IZZDOVSWSA-N 0 3 262.356 3.703 20 30 CHEDHN C=C(C)COCCN[C@H](CC)c1ccccc1OC(F)F ZINC000090450742 330392535 /nfs/dbraw/zinc/39/25/35/330392535.db2.gz MMYOPVPTHAIYKU-CQSZACIVSA-N 0 3 299.361 3.921 20 30 CHEDHN C=C(C)COCCN[C@H](CC)c1ccc(OC(F)F)cc1 ZINC000090451134 330392614 /nfs/dbraw/zinc/39/26/14/330392614.db2.gz WIWRJAMQYAEOKV-OAHLLOKOSA-N 0 3 299.361 3.921 20 30 CHEDHN C=CCC[C@H](NCc1csc(CC)n1)C1CC1 ZINC000121076225 330396017 /nfs/dbraw/zinc/39/60/17/330396017.db2.gz BVOQUEBAFVIQRW-ZDUSSCGKSA-N 0 3 250.411 3.540 20 30 CHEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1Cl)C(C)C ZINC000537085632 330397565 /nfs/dbraw/zinc/39/75/65/330397565.db2.gz JTJWQGCEWMWGQG-CJNGLKHVSA-N 0 3 281.827 3.954 20 30 CHEDHN CC(C)C1(C)CCN(Cc2ccc(C#N)s2)CC1 ZINC000428477687 330526696 /nfs/dbraw/zinc/52/66/96/330526696.db2.gz HAKRRUIQNLTHRM-UHFFFAOYSA-N 0 3 262.422 3.878 20 30 CHEDHN C#CCCCCNCc1csc(-c2ccc(F)cc2)n1 ZINC000150737117 330593299 /nfs/dbraw/zinc/59/32/99/330593299.db2.gz JWAAKKXLOVKUTF-UHFFFAOYSA-N 0 3 288.391 3.842 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(Br)cc1F ZINC000153389060 330643314 /nfs/dbraw/zinc/64/33/14/330643314.db2.gz QJPDRASRONHWMZ-VIFPVBQESA-N 0 3 272.161 3.815 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)c(F)c1 ZINC000435791825 330663237 /nfs/dbraw/zinc/66/32/37/330663237.db2.gz RAGZHADVNINODT-SHTZXODSSA-N 0 3 298.336 3.872 20 30 CHEDHN N#Cc1ccc(CN2CCc3ccccc3CC2)c(Cl)c1 ZINC000162913398 330832330 /nfs/dbraw/zinc/83/23/30/330832330.db2.gz IFQHOUFDARKKJN-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN CCO[C@@H](CNCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000446847660 330856520 /nfs/dbraw/zinc/85/65/20/330856520.db2.gz NUKABBMJXFPJMG-IBGZPJMESA-N 0 3 294.398 3.734 20 30 CHEDHN CC#CCN[C@@H](CC)c1ccc(Br)cc1 ZINC000160558044 330867214 /nfs/dbraw/zinc/86/72/14/330867214.db2.gz GPLHQWUKXPNMGP-ZDUSSCGKSA-N 0 3 266.182 3.513 20 30 CHEDHN CC1(C#N)CCC(N[C@@H]2COc3cccc(Cl)c32)CC1 ZINC000449331272 330915090 /nfs/dbraw/zinc/91/50/90/330915090.db2.gz XXFDWTMNGWIZHR-RYCVTPFZSA-N 0 3 290.794 3.836 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000449353145 330917857 /nfs/dbraw/zinc/91/78/57/330917857.db2.gz YLULOCITTDLVGP-SIVJFFJCSA-N 0 3 276.330 3.624 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@@H]2c2ccccc2)CCC1 ZINC000450820392 331001021 /nfs/dbraw/zinc/00/10/21/331001021.db2.gz NRPGESPVPSVBQA-HZPDHXFCSA-N 0 3 254.377 3.606 20 30 CHEDHN C=CCCC[C@@H](C)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451882068 331046105 /nfs/dbraw/zinc/04/61/05/331046105.db2.gz QQKCDBRTSLIULL-ZIAGYGMSSA-N 0 3 292.389 3.547 20 30 CHEDHN C=CC(C)(C)CN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453306917 331114054 /nfs/dbraw/zinc/11/40/54/331114054.db2.gz KLKABTSIYRTZGC-CQSZACIVSA-N 0 3 283.419 3.950 20 30 CHEDHN C=CC(C)(C)CN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000453310499 331114581 /nfs/dbraw/zinc/11/45/81/331114581.db2.gz RIKHZPZJXNUUTJ-CQSZACIVSA-N 0 3 298.434 3.747 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000453341806 331119179 /nfs/dbraw/zinc/11/91/79/331119179.db2.gz CYTUJNNQCFYKJT-IMJJTQAJSA-N 0 3 283.371 3.941 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000453349479 331120314 /nfs/dbraw/zinc/12/03/14/331120314.db2.gz LLKOVSQEFCLEOL-ASEORRQLSA-N 0 3 295.473 3.997 20 30 CHEDHN C=CCC1(CN[C@H](CC)c2ccn(C)n2)CCCC1 ZINC000453350086 331120617 /nfs/dbraw/zinc/12/06/17/331120617.db2.gz FZRIKLXOOLTEFQ-CQSZACIVSA-N 0 3 261.413 3.597 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000453351695 331120713 /nfs/dbraw/zinc/12/07/13/331120713.db2.gz LYSGJDIDJXVJPW-ZACQAIPSSA-N 0 3 299.414 3.756 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000453369486 331123790 /nfs/dbraw/zinc/12/37/90/331123790.db2.gz QVBPPOCTMSSKNM-CQSZACIVSA-N 0 3 289.423 3.833 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1SC ZINC000453374853 331124411 /nfs/dbraw/zinc/12/44/11/331124411.db2.gz WYZDSOVDOUADEZ-YUELXQCFSA-N 0 3 277.433 3.793 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1F ZINC000453379993 331125590 /nfs/dbraw/zinc/12/55/90/331125590.db2.gz KFFIGUGCQPSNRC-SFHVURJKSA-N 0 3 295.361 3.723 20 30 CHEDHN CCC1(NC(=O)C(C#N)CCc2ccccc2)CCCCC1 ZINC000456229327 331186718 /nfs/dbraw/zinc/18/67/18/331186718.db2.gz JZBMJHMQQOUBBF-KRWDZBQOSA-N 0 3 298.430 3.988 20 30 CHEDHN C=CCC(CC=C)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458282139 331247295 /nfs/dbraw/zinc/24/72/95/331247295.db2.gz LTVSEWCHUQEOJW-UHFFFAOYSA-N 0 3 286.419 3.764 20 30 CHEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1CC[C@H](C#N)C1 ZINC000471598828 331285232 /nfs/dbraw/zinc/28/52/32/331285232.db2.gz MEEMUUYYKZHAON-ZOPJHEKZSA-N 0 3 272.367 3.731 20 30 CHEDHN C[C@H]1CCCC[C@@]1(C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459603556 331290295 /nfs/dbraw/zinc/29/02/95/331290295.db2.gz AFKODNMBUVKYHP-BLLLJJGKSA-N 0 3 287.363 3.525 20 30 CHEDHN CCC1(C)CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000459627155 331291031 /nfs/dbraw/zinc/29/10/31/331291031.db2.gz AXZRTFVHPWQGTF-UHFFFAOYSA-N 0 3 272.392 3.601 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(C(F)(F)F)cc1 ZINC000459693568 331294763 /nfs/dbraw/zinc/29/47/63/331294763.db2.gz NHNHPHISYGFWNS-UHFFFAOYSA-N 0 3 270.298 3.735 20 30 CHEDHN CC(C)(CC#N)CNCc1cc(Cl)cc2cccnc21 ZINC000459727182 331296205 /nfs/dbraw/zinc/29/62/05/331296205.db2.gz FWJPZNVSJVROLH-UHFFFAOYSA-N 0 3 287.794 3.918 20 30 CHEDHN Cc1cc(CNCC(C)(C)CC#N)ccc1Br ZINC000459729441 331296290 /nfs/dbraw/zinc/29/62/90/331296290.db2.gz JTFTYEOVZIARDH-UHFFFAOYSA-N 0 3 295.224 3.787 20 30 CHEDHN C=C(C)COCCNC(c1ccccc1)c1ccccc1 ZINC000166164243 331306579 /nfs/dbraw/zinc/30/65/79/331306579.db2.gz URDYXYJMBZFYEH-UHFFFAOYSA-N 0 3 281.399 3.958 20 30 CHEDHN CCN(Cc1ccc(Br)cc1C#N)CC(C)C ZINC000379756815 331308046 /nfs/dbraw/zinc/30/80/46/331308046.db2.gz WWUZEFUXKIHPLQ-UHFFFAOYSA-N 0 3 295.224 3.799 20 30 CHEDHN CC#CCCN1CCC(=Cc2ccccc2F)CC1 ZINC000462321182 331319468 /nfs/dbraw/zinc/31/94/68/331319468.db2.gz LZORSUPIHKTHSS-UHFFFAOYSA-N 0 3 257.352 3.718 20 30 CHEDHN CC#CCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000462327917 331319694 /nfs/dbraw/zinc/31/96/94/331319694.db2.gz PWBMTFKEYYHBGC-GOEBONIOSA-N 0 3 259.418 3.578 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000464650841 331364215 /nfs/dbraw/zinc/36/42/15/331364215.db2.gz BERUPRWQITWHBL-INIZCTEOSA-N 0 3 294.483 3.559 20 30 CHEDHN CC(C)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464812289 331369293 /nfs/dbraw/zinc/36/92/93/331369293.db2.gz KCXMOFOFYSLFEF-SJORKVTESA-N 0 3 256.393 3.804 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CCC1 ZINC000464822760 331369670 /nfs/dbraw/zinc/36/96/70/331369670.db2.gz NXTZMZOCGLSPAP-IRXDYDNUSA-N 0 3 254.377 3.558 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCOCc1ccccc1 ZINC000464846399 331370911 /nfs/dbraw/zinc/37/09/11/331370911.db2.gz AVYYGNLYQQASMQ-MRXNPFEDSA-N 0 3 294.398 3.768 20 30 CHEDHN C=CCCCCNCc1nc2ccc(OC)cc2s1 ZINC000473996192 331562044 /nfs/dbraw/zinc/56/20/44/331562044.db2.gz VZDFGFIAXQQFCF-UHFFFAOYSA-N 0 3 276.405 3.751 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1CCCOCC1)c1ccc(F)c(F)c1 ZINC000480692318 331784927 /nfs/dbraw/zinc/78/49/27/331784927.db2.gz ABJLRSDOHJFYAE-CJNGLKHVSA-N 0 3 281.346 3.741 20 30 CHEDHN C=CCCCCNCc1cnc(C(C)(C)C)s1 ZINC000310333496 333057372 /nfs/dbraw/zinc/05/73/72/333057372.db2.gz ARLCDDSLVGCOHK-UHFFFAOYSA-N 0 3 252.427 3.887 20 30 CHEDHN C=CCSCCNCc1cccc(Cl)c1OCC ZINC000487272466 331961727 /nfs/dbraw/zinc/96/17/27/331961727.db2.gz CIXIHFRCVPFPRI-UHFFFAOYSA-N 0 3 285.840 3.748 20 30 CHEDHN C=CC[C@@H](C)NCc1cccc(Cl)c1OCC ZINC000487279824 331962708 /nfs/dbraw/zinc/96/27/08/331962708.db2.gz PDQPDCHKFZIAFN-LLVKDONJSA-N 0 3 253.773 3.793 20 30 CHEDHN C=CCCCCCN[C@@H](COC)c1ccc(F)cc1 ZINC000488158244 331992417 /nfs/dbraw/zinc/99/24/17/331992417.db2.gz DYJUTMRVVOKKLO-INIZCTEOSA-N 0 3 265.372 3.849 20 30 CHEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CC1(C)C ZINC000489456920 332053885 /nfs/dbraw/zinc/05/38/85/332053885.db2.gz PCTKEXJRFCLKER-OAHLLOKOSA-N 0 3 256.393 3.718 20 30 CHEDHN CN(Cc1ccc(F)cc1C#N)C1CCCCCC1 ZINC000489569331 332059730 /nfs/dbraw/zinc/05/97/30/332059730.db2.gz TWRBDOHYEPPYPP-UHFFFAOYSA-N 0 3 260.356 3.852 20 30 CHEDHN C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(F)cc1C#N ZINC000489580015 332060185 /nfs/dbraw/zinc/06/01/85/332060185.db2.gz UESQISHCFAKIOV-LRDDRELGSA-N 0 3 260.356 3.708 20 30 CHEDHN CC(C)CN(Cc1ccc(F)cc1C#N)CC(C)C ZINC000489626082 332062058 /nfs/dbraw/zinc/06/20/58/332062058.db2.gz WPPTVOZTBBCASR-UHFFFAOYSA-N 0 3 262.372 3.811 20 30 CHEDHN C[C@@H]1C[C@H](CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000490403893 332088541 /nfs/dbraw/zinc/08/85/41/332088541.db2.gz QIXXGFFFGSNMOG-ZAWLATJESA-N 0 3 298.430 3.573 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccc(OC)c(F)c1 ZINC000491272716 332178307 /nfs/dbraw/zinc/17/83/07/332178307.db2.gz VFIFIZZKJORIGC-UHFFFAOYSA-N 0 3 289.350 3.658 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccccc1C ZINC000491356360 332196048 /nfs/dbraw/zinc/19/60/48/332196048.db2.gz LWQOAHKQRZFPNQ-UHFFFAOYSA-N 0 3 255.361 3.819 20 30 CHEDHN N#Cc1cccc(C2(NCCc3cccc(F)c3F)CC2)c1 ZINC000575337593 335095737 /nfs/dbraw/zinc/09/57/37/335095737.db2.gz YLUWEHWVQHZKFP-UHFFFAOYSA-N 0 3 298.336 3.658 20 30 CHEDHN C=CCCN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000499890073 332595371 /nfs/dbraw/zinc/59/53/71/332595371.db2.gz WUDJOWTWIVEEKV-CQSZACIVSA-N 0 3 278.827 3.595 20 30 CHEDHN C=CCNC/C(C)=C/c1ccccc1C(F)(F)F ZINC000501383194 332631508 /nfs/dbraw/zinc/63/15/08/332631508.db2.gz RFEGQZVEIFVLLG-PKNBQFBNSA-N 0 3 255.283 3.884 20 30 CHEDHN C=CC[C@H](CC)NCc1sccc1Br ZINC000308589386 333035864 /nfs/dbraw/zinc/03/58/64/333035864.db2.gz JRSZMJCUFWVQDG-VIFPVBQESA-N 0 3 274.227 3.955 20 30 CHEDHN C[C@@H](NCCCNc1ccccc1)c1ccc(C#N)cc1F ZINC000512631969 332977052 /nfs/dbraw/zinc/97/70/52/332977052.db2.gz VHJMRXQXHIXWQZ-CQSZACIVSA-N 0 3 297.377 3.850 20 30 CHEDHN CCc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000404154252 332991313 /nfs/dbraw/zinc/99/13/13/332991313.db2.gz UUDOZUVLJZDKMK-UHFFFAOYSA-N 0 3 268.335 3.550 20 30 CHEDHN Cc1cc(C)c(CNCc2ccc(C#N)c(F)c2)cc1C ZINC000404760030 333025389 /nfs/dbraw/zinc/02/53/89/333025389.db2.gz NDLOSALQFITVND-UHFFFAOYSA-N 0 3 282.362 3.912 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](C)c1oc2ccccc2c1C ZINC000183629152 333121424 /nfs/dbraw/zinc/12/14/24/333121424.db2.gz CWPWVRZACNZXOC-KGLIPLIRSA-N 0 3 273.376 3.719 20 30 CHEDHN C=C(C)[C@@H](N[C@@H](CC)COC)c1ccc(F)c(F)c1 ZINC000186449493 333161119 /nfs/dbraw/zinc/16/11/19/333161119.db2.gz TVRQCBLJVMJMEJ-SWLSCSKDSA-N 0 3 269.335 3.597 20 30 CHEDHN CCOc1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000521621312 333180156 /nfs/dbraw/zinc/18/01/56/333180156.db2.gz VCXRCZBAGCGOOW-UHFFFAOYSA-N 0 3 272.392 3.601 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1F ZINC000191973151 333227806 /nfs/dbraw/zinc/22/78/06/333227806.db2.gz XVPNYJGHSWRVSW-QGZVFWFLSA-N 0 3 280.346 3.687 20 30 CHEDHN CCS[C@@H]1CC[C@H](N(C)CC#Cc2ccccc2)C1 ZINC000192049125 333228821 /nfs/dbraw/zinc/22/88/21/333228821.db2.gz IMEUOYUWSWALDT-DLBZAZTESA-N 0 3 273.445 3.644 20 30 CHEDHN CCOc1cccc([C@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000192153087 333230868 /nfs/dbraw/zinc/23/08/68/333230868.db2.gz LXNNJZZEJCRBOT-ZDUSSCGKSA-N 0 3 298.361 3.947 20 30 CHEDHN CC[C@H](NCC#Cc1ccccc1)c1ccc(OC)cc1 ZINC000192147876 333230931 /nfs/dbraw/zinc/23/09/31/333230931.db2.gz BVTFYYAFOVKILK-IBGZPJMESA-N 0 3 279.383 3.788 20 30 CHEDHN COc1ccc([C@@H](NCC#Cc2ccccc2)C2CC2)cc1 ZINC000192163611 333231309 /nfs/dbraw/zinc/23/13/09/333231309.db2.gz ZDFNAABQYCTQEJ-FQEVSTJZSA-N 0 3 291.394 3.788 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000522995750 333303873 /nfs/dbraw/zinc/30/38/73/333303873.db2.gz GIDXAKXEBSOTEO-KBPBESRZSA-N 0 3 294.354 3.816 20 30 CHEDHN C=CC[C@@H](C)NCc1c(F)ccc(Br)c1F ZINC000230310613 333316354 /nfs/dbraw/zinc/31/63/54/333316354.db2.gz IWDRPFDKTKQMRK-MRVPVSSYSA-N 0 3 290.151 3.782 20 30 CHEDHN COc1cc(CN[C@@H](C)c2cccc(F)c2)ccc1C#N ZINC000234938615 333363264 /nfs/dbraw/zinc/36/32/64/333363264.db2.gz BUPCPXLJUXBJPE-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN CC(C)(C)[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000524757391 333387017 /nfs/dbraw/zinc/38/70/17/333387017.db2.gz ZIOPMEWAIOFYNE-QGZVFWFLSA-N 0 3 281.403 3.821 20 30 CHEDHN C=CCN1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC000524989090 333394986 /nfs/dbraw/zinc/39/49/86/333394986.db2.gz SVZGXIXRQXPROO-CYBMUJFWSA-N 0 3 279.811 3.789 20 30 CHEDHN C[C@H]1CCC[C@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000525122486 333399143 /nfs/dbraw/zinc/39/91/43/333399143.db2.gz HJCVALJTGHCWBG-STQMWFEESA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000529544256 333495897 /nfs/dbraw/zinc/49/58/97/333495897.db2.gz XASRIMNOVMYNBN-HYVNUMGLSA-N 0 3 256.393 3.852 20 30 CHEDHN C=CC[C@H](CO)CN[C@H](C)c1cccc(Cl)c1Cl ZINC000538198741 333578727 /nfs/dbraw/zinc/57/87/27/333578727.db2.gz STCWYUMHVWJKQT-MNOVXSKESA-N 0 3 288.218 3.829 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000538226523 333580338 /nfs/dbraw/zinc/58/03/38/333580338.db2.gz SPOCBIMKSLBYQX-CRAIPNDOSA-N 0 3 291.410 3.974 20 30 CHEDHN N#Cc1ccc(CNCCc2ccc(F)cc2Cl)s1 ZINC000538403442 333589065 /nfs/dbraw/zinc/58/90/65/333589065.db2.gz FHLUUEYHAFBHHU-UHFFFAOYSA-N 0 3 294.782 3.745 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000538410294 333589568 /nfs/dbraw/zinc/58/95/68/333589568.db2.gz LYUWUZLEMISQAC-WDEREUQCSA-N 0 3 286.297 3.610 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(COC)cc2)cc1 ZINC000126270184 333595528 /nfs/dbraw/zinc/59/55/28/333595528.db2.gz MSJLNQVGYGXDBV-UHFFFAOYSA-N 0 3 297.398 3.688 20 30 CHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000174264625 335151631 /nfs/dbraw/zinc/15/16/31/335151631.db2.gz SRPZUDPBDGMTBT-KGLIPLIRSA-N 0 3 298.361 3.815 20 30 CHEDHN N#Cc1ccc(CNCCc2c(Cl)cccc2Cl)o1 ZINC000174298414 335152106 /nfs/dbraw/zinc/15/21/06/335152106.db2.gz PCMCNSZONZLKBH-UHFFFAOYSA-N 0 3 295.169 3.790 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000128477557 333676391 /nfs/dbraw/zinc/67/63/91/333676391.db2.gz LVJZKJMJOKCBFQ-SNVBAGLBSA-N 0 3 259.271 3.812 20 30 CHEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(CC)CC ZINC000540611747 333738163 /nfs/dbraw/zinc/73/81/63/333738163.db2.gz DIGUZVVHWBAWPR-GJZGRUSLSA-N 0 3 292.448 3.693 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](CC)c1ccc(Cl)s1 ZINC000541627569 333784817 /nfs/dbraw/zinc/78/48/17/333784817.db2.gz QFASUXZNOMMHQB-MNOVXSKESA-N 0 3 273.829 3.769 20 30 CHEDHN CC1(C#N)CCN(CCCOc2ccc(Cl)cc2)CC1 ZINC000541880933 333796035 /nfs/dbraw/zinc/79/60/35/333796035.db2.gz KXOYJARRGWRUMZ-UHFFFAOYSA-N 0 3 292.810 3.735 20 30 CHEDHN N#CCCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000542482118 333827188 /nfs/dbraw/zinc/82/71/88/333827188.db2.gz DRJNPMVMLGSKQG-UHFFFAOYSA-N 0 3 274.751 3.993 20 30 CHEDHN CS[C@@H](CNCc1ccc(C#N)cc1F)C(C)(C)C ZINC000543237053 333865740 /nfs/dbraw/zinc/86/57/40/333865740.db2.gz NQBSFFCCBRBOOF-AWEZNQCLSA-N 0 3 280.412 3.565 20 30 CHEDHN COc1ccc(C#N)cc1CN[C@H](c1cccs1)C1CC1 ZINC000544398488 333929213 /nfs/dbraw/zinc/92/92/13/333929213.db2.gz ADQNSJLHACEECC-KRWDZBQOSA-N 0 3 298.411 3.869 20 30 CHEDHN C[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)C[C@@H](c2ccccc2)C1 ZINC000576220246 335172262 /nfs/dbraw/zinc/17/22/62/335172262.db2.gz IEMGOAOBFLMZAF-NBMJBFSESA-N 0 3 295.430 3.992 20 30 CHEDHN CCSCC[C@H](C)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000135204082 334119580 /nfs/dbraw/zinc/11/95/80/334119580.db2.gz SBCYRDCYWURRJA-ZDUSSCGKSA-N 0 3 292.448 3.530 20 30 CHEDHN C=CC[C@H](C)NCc1ccc(F)cc1Br ZINC000136164820 334148493 /nfs/dbraw/zinc/14/84/93/334148493.db2.gz XIDXSIJMLHKXOZ-VIFPVBQESA-N 0 3 272.161 3.642 20 30 CHEDHN CO[C@@H](CN1CCC(CC#N)CC1)c1ccc(Cl)cc1 ZINC000549133731 334185752 /nfs/dbraw/zinc/18/57/52/334185752.db2.gz LHMUBRVNXCPLFY-INIZCTEOSA-N 0 3 292.810 3.653 20 30 CHEDHN C=CCOCCNC(C)(c1ccccc1)c1ccccc1 ZINC000549535309 334196791 /nfs/dbraw/zinc/19/67/91/334196791.db2.gz AXXXCKXYOXQWRA-UHFFFAOYSA-N 0 3 281.399 3.742 20 30 CHEDHN C=C(C)CCN1CCN(CCC(=C)C)[C@@H]2CCCC[C@H]21 ZINC000550454547 334222994 /nfs/dbraw/zinc/22/29/94/334222994.db2.gz BNAJFLVMWBEGFL-QZTJIDSGSA-N 0 3 276.468 3.848 20 30 CHEDHN C=CCCC[C@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000550932346 334234191 /nfs/dbraw/zinc/23/41/91/334234191.db2.gz VUCVRZLQXKGTRI-KBPBESRZSA-N 0 3 257.381 3.730 20 30 CHEDHN N#CCC[C@@H](C#N)CNCCC12CC3CC(CC(C3)C1)C2 ZINC000551357316 334247627 /nfs/dbraw/zinc/24/76/27/334247627.db2.gz CNPFVSVGDKOJNM-NUVRTYOOSA-N 0 3 285.435 3.626 20 30 CHEDHN CCN(CC#Cc1ccccc1Cl)C1CCCC1 ZINC000551710212 334258666 /nfs/dbraw/zinc/25/86/66/334258666.db2.gz QWAMSPJOOPTYES-UHFFFAOYSA-N 0 3 261.796 3.956 20 30 CHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000249035514 334325351 /nfs/dbraw/zinc/32/53/51/334325351.db2.gz SITAVWXCSIHBQX-CFVMTHIKSA-N 0 3 288.439 3.680 20 30 CHEDHN N#Cc1ccc(F)c(CN[C@H](Cc2ccccc2)C2CC2)c1 ZINC000090117272 334357594 /nfs/dbraw/zinc/35/75/94/334357594.db2.gz AMMJRSCGVPLMLP-LJQANCHMSA-N 0 3 294.373 3.808 20 30 CHEDHN C[C@@H](CC1CC1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180693 334358402 /nfs/dbraw/zinc/35/84/02/334358402.db2.gz LMUVQRJNRCITDB-LBPRGKRZSA-N 0 3 281.321 3.835 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000090883616 334368996 /nfs/dbraw/zinc/36/89/96/334368996.db2.gz QMFDAIPWXZVEQX-LBPRGKRZSA-N 0 3 283.799 3.592 20 30 CHEDHN CC[C@@H](COC)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412182 334377990 /nfs/dbraw/zinc/37/79/90/334377990.db2.gz SQTMLBRDZSMAKI-SFHVURJKSA-N 0 3 294.398 3.740 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)[C@H]1CCCC[C@H]1O ZINC000553826156 334399979 /nfs/dbraw/zinc/39/99/79/334399979.db2.gz XPRYOLPPHFUZEE-QWHCGFSZSA-N 0 3 285.840 3.693 20 30 CHEDHN Cc1cc(Cl)ccc1CN1CCC(CC#N)CC1 ZINC000572664026 334869716 /nfs/dbraw/zinc/86/97/16/334869716.db2.gz GDYYJOGSMUBMOI-UHFFFAOYSA-N 0 3 262.784 3.774 20 30 CHEDHN N#CCC1CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000576732438 335240914 /nfs/dbraw/zinc/24/09/14/335240914.db2.gz USDDPBJBDORXGC-UHFFFAOYSA-N 0 3 291.398 3.874 20 30 CHEDHN C[C@@H](NC[C@@H](C#N)CCC#N)C1(c2ccccc2)CCCC1 ZINC000580555406 335279769 /nfs/dbraw/zinc/27/97/69/335279769.db2.gz QYGDRIIWCPKOQT-IAGOWNOFSA-N 0 3 295.430 3.920 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000192769956 335302215 /nfs/dbraw/zinc/30/22/15/335302215.db2.gz GPTYOYFWBAMYGC-PEYYIBSZSA-N 0 3 274.795 3.999 20 30 CHEDHN C=CCCNC(C)(C)c1ccccc1Br ZINC000380116215 335328824 /nfs/dbraw/zinc/32/88/24/335328824.db2.gz PMIIQXZLBPFDNM-UHFFFAOYSA-N 0 3 268.198 3.850 20 30 CHEDHN N#Cc1ccc(CNCCc2ccccc2Cl)s1 ZINC000176958210 335345012 /nfs/dbraw/zinc/34/50/12/335345012.db2.gz BXFIDLQQUSDRPB-UHFFFAOYSA-N 0 3 276.792 3.605 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000177692086 335379218 /nfs/dbraw/zinc/37/92/18/335379218.db2.gz ANZVVNAQQVTORM-HNNXBMFYSA-N 0 3 272.348 3.536 20 30 CHEDHN Cc1cc(C)c(CNCc2ccc(CC#N)cc2)c(C)c1 ZINC000577632398 335383057 /nfs/dbraw/zinc/38/30/57/335383057.db2.gz JSKYQFLGVJXYIG-UHFFFAOYSA-N 0 3 278.399 3.968 20 30 CHEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000577924388 335421519 /nfs/dbraw/zinc/42/15/19/335421519.db2.gz UFQVZOULODAFTG-CHWSQXEVSA-N 0 3 294.320 3.809 20 30 CHEDHN CCC[C@@H]1CCCC[C@@H]1CNC[C@@H](C#N)CCC#N ZINC000579217598 335722369 /nfs/dbraw/zinc/72/23/69/335722369.db2.gz WZNGXLYDEIHLQS-BZUAXINKSA-N 0 3 261.413 3.626 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000361235469 335842352 /nfs/dbraw/zinc/84/23/52/335842352.db2.gz BPJWIZNSOPDHBR-CYBMUJFWSA-N 0 3 275.421 3.607 20 30 CHEDHN C=CCOCCN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000380430296 335984896 /nfs/dbraw/zinc/98/48/96/335984896.db2.gz MARBUOIEKOWYBS-HNNXBMFYSA-N 0 3 277.408 3.575 20 30 CHEDHN C=CCCCCN[C@H](C)c1ccc(OC)cc1F ZINC000381141132 336051753 /nfs/dbraw/zinc/05/17/53/336051753.db2.gz DLRMIRKVDINWCL-GFCCVEGCSA-N 0 3 251.345 3.841 20 30 CHEDHN CN(Cc1ccc(Br)cc1C#N)C(C)(C)C ZINC000382132441 336082451 /nfs/dbraw/zinc/08/24/51/336082451.db2.gz OHNVJMUAXCLXQH-UHFFFAOYSA-N 0 3 281.197 3.551 20 30 CHEDHN C=CCC(C)(C)CNCc1ncc(C(C)C)s1 ZINC000581468768 336084570 /nfs/dbraw/zinc/08/45/70/336084570.db2.gz AZAMTTUBOMXFHR-UHFFFAOYSA-N 0 3 252.427 3.958 20 30 CHEDHN C[C@H]1CCC[C@H]1NCc1ccc(Br)cc1C#N ZINC000383356390 336107811 /nfs/dbraw/zinc/10/78/11/336107811.db2.gz QMRMCVRKOMPDNZ-IINYFYTJSA-N 0 3 293.208 3.599 20 30 CHEDHN C[C@H](CCC#N)N1CCC(c2cccc(F)c2F)CC1 ZINC000581594210 336108650 /nfs/dbraw/zinc/10/86/50/336108650.db2.gz USZYICIYSMZOEO-GFCCVEGCSA-N 0 3 278.346 3.836 20 30 CHEDHN COc1cc(CN(Cc2ccccc2)C2CC2)ccc1C#N ZINC000384426397 336124453 /nfs/dbraw/zinc/12/44/53/336124453.db2.gz LOBIACJKXGCECM-UHFFFAOYSA-N 0 3 292.382 3.731 20 30 CHEDHN C=CC(C)(C)CNCc1ccccc1OC(F)F ZINC000385122683 336139558 /nfs/dbraw/zinc/13/95/58/336139558.db2.gz FTPKYKUWZHVRPU-UHFFFAOYSA-N 0 3 255.308 3.590 20 30 CHEDHN COc1cc(CNCc2ccc(SC)cc2)ccc1C#N ZINC000353244141 533887746 /nfs/dbraw/zinc/88/77/46/533887746.db2.gz UHKNENUDOHALTO-UHFFFAOYSA-N 0 3 298.411 3.579 20 30 CHEDHN C[C@H](CCNCc1nc(C#N)cs1)CC(C)(C)C ZINC000352860287 533941902 /nfs/dbraw/zinc/94/19/02/533941902.db2.gz AHNZDRMWPAZPFP-LLVKDONJSA-N 0 3 265.426 3.567 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000347036368 534150253 /nfs/dbraw/zinc/15/02/53/534150253.db2.gz LWJSFGVMBGXVID-UONOGXRCSA-N 0 3 298.411 3.998 20 30 CHEDHN CCCOCc1ccccc1CNCc1ccc(C#N)cc1 ZINC000069747425 520259492 /nfs/dbraw/zinc/25/94/92/520259492.db2.gz GANLPZVQTZHJDE-UHFFFAOYSA-N 0 3 294.398 3.775 20 30 CHEDHN CCC(=O)CCCN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000290119928 521072995 /nfs/dbraw/zinc/07/29/95/521072995.db2.gz UDYYJGGVNRMPCI-AWEZNQCLSA-N 0 3 272.392 3.700 20 30 CHEDHN CCC(CC)(CC)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000086230037 521400811 /nfs/dbraw/zinc/40/08/11/521400811.db2.gz SXJBNOZHBVVPRP-UHFFFAOYSA-N 0 3 298.390 3.667 20 30 CHEDHN CCSCC[C@H](C)N(C)Cc1cccc(C#N)c1F ZINC000340834135 521715082 /nfs/dbraw/zinc/71/50/82/521715082.db2.gz NXDKYBFWDZPJEB-LBPRGKRZSA-N 0 3 280.412 3.661 20 30 CHEDHN CC[C@H](NCc1cccc(N(C)C)c1)c1ccc(C#N)cc1 ZINC000278742323 522653147 /nfs/dbraw/zinc/65/31/47/522653147.db2.gz NKHCNUXMDNAWLC-IBGZPJMESA-N 0 3 293.414 3.865 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1cccnc1)c1ccc(C#N)cc1 ZINC000278256013 522913601 /nfs/dbraw/zinc/91/36/01/522913601.db2.gz NDILOBFCWAQVTH-SUMWQHHRSA-N 0 3 265.360 3.755 20 30 CHEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000338563975 523541280 /nfs/dbraw/zinc/54/12/80/523541280.db2.gz OVEJJEUCTFTXFS-ACJLOTCBSA-N 0 3 298.361 3.736 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Cl)c3cccnc23)C1 ZINC000335286620 534754394 /nfs/dbraw/zinc/75/43/94/534754394.db2.gz XZFJLOIOTYKUHG-WCQYABFASA-N 0 3 285.778 3.670 20 30 CHEDHN Cc1ccccc1CN(Cc1ccccc1)C(=O)C(C)C#N ZINC000344911925 534810190 /nfs/dbraw/zinc/81/01/90/534810190.db2.gz SDLINHNSPTVHJL-MRXNPFEDSA-N 0 3 292.382 3.684 20 30 CHEDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000036991948 525363992 /nfs/dbraw/zinc/36/39/92/525363992.db2.gz QABSILZTXCHSQM-KGLIPLIRSA-N 0 3 280.371 3.984 20 30 CHEDHN Cc1cc2cc(CNCc3ccc(C#N)c(C)c3)ccc2[nH]1 ZINC000353129685 525639927 /nfs/dbraw/zinc/63/99/27/525639927.db2.gz VAKVHDPLWCCKTG-UHFFFAOYSA-N 0 3 289.382 3.946 20 30 CHEDHN C[C@H]1CCCC[C@H]1N(C)Cc1cc(C#N)ccc1F ZINC000055386723 526261280 /nfs/dbraw/zinc/26/12/80/526261280.db2.gz SDZLAQDAAGDSGS-BLLLJJGKSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(C)CN1CCC(Nc2nc3ccccc3s2)CC1 ZINC000301184248 526605432 /nfs/dbraw/zinc/60/54/32/526605432.db2.gz QSGSETWAZUNPFT-UHFFFAOYSA-N 0 3 287.432 3.749 20 30 CHEDHN N#Cc1ccc(CNCCc2cccc3[nH]ccc32)c(F)c1 ZINC000337292509 526623213 /nfs/dbraw/zinc/62/32/13/526623213.db2.gz MZSJWECIPGGLSI-UHFFFAOYSA-N 0 3 293.345 3.511 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CCCc3sccc32)c1 ZINC000061328212 526709666 /nfs/dbraw/zinc/70/96/66/526709666.db2.gz CTWRWUMPRCIYBP-OAHLLOKOSA-N 0 3 268.385 3.787 20 30 CHEDHN C#CCCOc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000113320841 526744600 /nfs/dbraw/zinc/74/46/00/526744600.db2.gz ZCLCVTNPIQTOQW-GOSISDBHSA-N 0 3 295.382 3.849 20 30 CHEDHN C=C(CC)CN1CCC[C@H](Oc2ccccc2OC)C1 ZINC000353285486 526853418 /nfs/dbraw/zinc/85/34/18/526853418.db2.gz YMUSRVMNQDKPSI-HNNXBMFYSA-N 0 3 275.392 3.505 20 30 CHEDHN C=CCOc1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000351946556 526865076 /nfs/dbraw/zinc/86/50/76/526865076.db2.gz DTXIMOJZJRRIME-UHFFFAOYSA-N 0 3 257.377 3.627 20 30 CHEDHN C=CCC[C@@H](NCC1(CO)CC2(CCC2)C1)c1ccco1 ZINC000353587142 527447707 /nfs/dbraw/zinc/44/77/07/527447707.db2.gz FVXPLZHTUDXILC-OAHLLOKOSA-N 0 3 289.419 3.819 20 30 CHEDHN C=CCC[C@H](NCC1(COC)CCC1)c1ccco1 ZINC000353600568 527483066 /nfs/dbraw/zinc/48/30/66/527483066.db2.gz YMSOUDXRZQVOOX-AWEZNQCLSA-N 0 3 263.381 3.693 20 30 CHEDHN CC1(C2CC2)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000352202107 527905975 /nfs/dbraw/zinc/90/59/75/527905975.db2.gz XFLNGIAYBPTLRS-UHFFFAOYSA-N 0 3 272.367 3.709 20 30 CHEDHN CCCCCN(C)c1ccc(F)cc1CNCCCC#N ZINC000344331916 528163630 /nfs/dbraw/zinc/16/36/30/528163630.db2.gz XYORXHZTHVXDLJ-UHFFFAOYSA-N 0 3 291.414 3.845 20 30 CHEDHN CCN(C(=O)C(C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000347035110 529051792 /nfs/dbraw/zinc/05/17/92/529051792.db2.gz KFNWSKOVKZPSON-GHMZBOCLSA-N 0 3 298.308 3.775 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819735016 607088709 /nfs/dbraw/zinc/08/87/09/607088709.db2.gz YQXGRVMDDHGDKB-BBRMVZONSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819735016 607088710 /nfs/dbraw/zinc/08/87/10/607088710.db2.gz YQXGRVMDDHGDKB-BBRMVZONSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819735018 607088802 /nfs/dbraw/zinc/08/88/02/607088802.db2.gz YQXGRVMDDHGDKB-CJNGLKHVSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819735018 607088803 /nfs/dbraw/zinc/08/88/03/607088803.db2.gz YQXGRVMDDHGDKB-CJNGLKHVSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894417 946503902 /nfs/dbraw/zinc/50/39/02/946503902.db2.gz PNWREMRLFRFFER-UONOGXRCSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894417 946503914 /nfs/dbraw/zinc/50/39/14/946503914.db2.gz PNWREMRLFRFFER-UONOGXRCSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCOc1ccc(CN(C)C[C@H]2CCCO2)cc1Cl ZINC000127985336 1125464007 /nfs/dbraw/zinc/46/40/07/1125464007.db2.gz GCDFPOJSTMRFDB-CQSZACIVSA-N 0 3 295.810 3.516 20 30 CHEDHN C=C(C)CN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710566 1117900606 /nfs/dbraw/zinc/90/06/06/1117900606.db2.gz VDFSQMQCSJMBMN-JTQLQIEISA-N 0 3 263.772 3.785 20 30 CHEDHN C#Cc1ccc(CNCc2ccc([Si](C)(C)C)cc2)cc1 ZINC001202647360 1125484707 /nfs/dbraw/zinc/48/47/07/1125484707.db2.gz SKQPJBWLFJXBNQ-UHFFFAOYSA-N 0 3 293.486 3.503 20 30 CHEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000186689845 1120640258 /nfs/dbraw/zinc/64/02/58/1120640258.db2.gz UYQCKQOULVIUPV-DTWKUNHWSA-N 0 3 292.181 3.720 20 30 CHEDHN C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000344101464 1121082612 /nfs/dbraw/zinc/08/26/12/1121082612.db2.gz HRFXGZHJDYGAMP-RKDXNWHRSA-N 0 3 274.261 3.689 20 30 CHEDHN C#CCOCCN(CC=C(C)C)Cc1ccc(Cl)cc1 ZINC001193763428 1122717924 /nfs/dbraw/zinc/71/79/24/1122717924.db2.gz ZBMYVRBCPKBEAR-UHFFFAOYSA-N 0 3 291.822 3.758 20 30 CHEDHN C[C@H](CSC(C)(C)C)NCC1(C#N)CCCCC1 ZINC000850551732 1123290299 /nfs/dbraw/zinc/29/02/99/1123290299.db2.gz VDZWGCNQCAEPSA-CYBMUJFWSA-N 0 3 268.470 3.970 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1c(F)cccc1F ZINC000338933790 1123340686 /nfs/dbraw/zinc/34/06/86/1123340686.db2.gz LPEMHARQRSLUGJ-RYUDHWBXSA-N 0 3 266.335 3.568 20 30 CHEDHN C#C[C@H](C)NCc1ccc(F)c(-c2cccs2)c1 ZINC000123066503 1124557820 /nfs/dbraw/zinc/55/78/20/1124557820.db2.gz MERPIUATUQWHET-NSHDSACASA-N 0 3 259.349 3.666 20 30 CHEDHN C=CC[C@H](C)C(=O)NCCP(C(C)C)C(C)C ZINC001144028714 1131574414 /nfs/dbraw/zinc/57/44/14/1131574414.db2.gz LRXCWPFFHKGEIL-ZDUSSCGKSA-N 0 3 257.358 3.614 20 30 CHEDHN CCCCCCC[C@H](CC)n1nc(CN)cc1C ZINC001172347364 1132180920 /nfs/dbraw/zinc/18/09/20/1132180920.db2.gz UHSUIQCXGAQJNC-HNNXBMFYSA-N 0 3 251.418 3.962 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CCCC3)C2)cc1Cl ZINC001232115197 1132424590 /nfs/dbraw/zinc/42/45/90/1132424590.db2.gz HQQLYRAHPRHYEA-UHFFFAOYSA-N 0 3 274.795 3.978 20 30 CHEDHN C=CCCCCCCCCN1CCCC12COC2 ZINC001209444621 1134021692 /nfs/dbraw/zinc/02/16/92/1134021692.db2.gz WMTABTLAUIDVBQ-UHFFFAOYSA-N 0 3 251.414 3.768 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000237506260 1125564936 /nfs/dbraw/zinc/56/49/36/1125564936.db2.gz CYPKUFOPLLWXMX-GUYCJALGSA-N 0 3 296.370 3.738 20 30 CHEDHN C=C(C)CCN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000509671603 1125570438 /nfs/dbraw/zinc/57/04/38/1125570438.db2.gz GANVKGGNUVMDMR-AWEZNQCLSA-N 0 3 294.389 3.610 20 30 CHEDHN C=CCC[C@@H](NCc1[nH]nc(C)c1C)c1ccccc1 ZINC000886038989 1125639504 /nfs/dbraw/zinc/63/95/04/1125639504.db2.gz GIEVLCBWMJOOPT-MRXNPFEDSA-N 0 3 269.392 3.824 20 30 CHEDHN C=CCOCCCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000348361838 1125648908 /nfs/dbraw/zinc/64/89/08/1125648908.db2.gz HTCVWHWCOABVGZ-LJQANCHMSA-N 0 3 296.414 3.662 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000886541305 1125686810 /nfs/dbraw/zinc/68/68/10/1125686810.db2.gz TYKSRQJNUBRKQQ-SUMWQHHRSA-N 0 3 266.344 3.734 20 30 CHEDHN C=C(CNCc1sc(C)nc1C)c1ccccc1 ZINC000336794519 1125692974 /nfs/dbraw/zinc/69/29/74/1125692974.db2.gz COCNQYOBCFSRJV-UHFFFAOYSA-N 0 3 258.390 3.563 20 30 CHEDHN CN(Cc1ccc(C#N)c(F)c1)[C@H]1CCc2ccccc21 ZINC000191930710 1125703016 /nfs/dbraw/zinc/70/30/16/1125703016.db2.gz LIAXPCLYWXCOFO-SFHVURJKSA-N 0 3 280.346 3.817 20 30 CHEDHN C=CCC1(O)CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000886774791 1125715541 /nfs/dbraw/zinc/71/55/41/1125715541.db2.gz VUVIEGYBTMAEFT-INIZCTEOSA-N 0 3 291.822 3.730 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(OC)cc1 ZINC000192147929 1125758114 /nfs/dbraw/zinc/75/81/14/1125758114.db2.gz MJFHTXGLUZWBOF-GOSISDBHSA-N 0 3 298.361 3.947 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2c(O)cccc21)c1cccc(C#N)c1 ZINC000192354858 1125764607 /nfs/dbraw/zinc/76/46/07/1125764607.db2.gz POJREAPUMLKRCS-SCLBCKFNSA-N 0 3 292.382 3.992 20 30 CHEDHN CCN(C)c1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000151374012 1126753086 /nfs/dbraw/zinc/75/30/86/1126753086.db2.gz NSKHAFMKFGBZDL-HNNXBMFYSA-N 0 3 293.414 3.865 20 30 CHEDHN CCC(CC)c1cc(CNCC(C)(C)CCC#N)on1 ZINC000174547460 1126771629 /nfs/dbraw/zinc/77/16/29/1126771629.db2.gz GWZLWIUXSSYCMJ-UHFFFAOYSA-N 0 3 277.412 3.998 20 30 CHEDHN CC(C)(C#N)CCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000174832914 1126773831 /nfs/dbraw/zinc/77/38/31/1126773831.db2.gz LGKUSDYCNZXGTH-MRXNPFEDSA-N 0 3 290.407 3.591 20 30 CHEDHN COC1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCCC1 ZINC000483262995 1126776436 /nfs/dbraw/zinc/77/64/36/1126776436.db2.gz BUYCCBRBFIVIGU-ROUUACIJSA-N 0 3 298.430 3.717 20 30 CHEDHN C=CCN(CCOC)Cc1ccc(SC(C)C)cc1 ZINC000484561700 1126829594 /nfs/dbraw/zinc/82/95/94/1126829594.db2.gz JCYKDMRUBGQZPR-UHFFFAOYSA-N 0 3 279.449 3.822 20 30 CHEDHN N#CC1(CN[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000484629252 1126837410 /nfs/dbraw/zinc/83/74/10/1126837410.db2.gz AEVFRFPPUNSDAF-CVEARBPZSA-N 0 3 254.377 3.606 20 30 CHEDHN C=CCC(CC=C)Oc1cccc2c1CCN(C)C2 ZINC001234420629 1130642062 /nfs/dbraw/zinc/64/20/62/1130642062.db2.gz WLUPSQSZULDJPN-UHFFFAOYSA-N 0 3 257.377 3.574 20 30 CHEDHN C=CC[C@H](C)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000180947561 1126850122 /nfs/dbraw/zinc/85/01/22/1126850122.db2.gz IXACQYVXUOZLRP-WDEREUQCSA-N 0 3 250.411 3.637 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000924798374 1126852314 /nfs/dbraw/zinc/85/23/14/1126852314.db2.gz NKJIWRKNYKLNJJ-NEPJUHHUSA-N 0 3 275.352 3.574 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000668494000 1126917761 /nfs/dbraw/zinc/91/77/61/1126917761.db2.gz TXXPYBXYNYHYHY-ZFWWWQNUSA-N 0 3 292.448 3.783 20 30 CHEDHN CC(C)(CCC#N)CNCc1c(F)cccc1Cl ZINC000266203562 1126980606 /nfs/dbraw/zinc/98/06/06/1126980606.db2.gz LZKHAMQEIUNKQN-UHFFFAOYSA-N 0 3 268.763 3.899 20 30 CHEDHN COc1ccc2c(c1)CCC[C@H]2NCc1ccc(C#N)s1 ZINC000267202229 1126994847 /nfs/dbraw/zinc/99/48/47/1126994847.db2.gz OSVKCJNWFNNITA-QGZVFWFLSA-N 0 3 298.411 3.796 20 30 CHEDHN CCc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000269594722 1127042815 /nfs/dbraw/zinc/04/28/15/1127042815.db2.gz FQVNSZOSGOQPML-UHFFFAOYSA-N 0 3 276.383 3.900 20 30 CHEDHN N#Cc1cccc(C2(NCc3ccc4c(c3)CCC4)CC2)c1 ZINC000269585609 1127042284 /nfs/dbraw/zinc/04/22/84/1127042284.db2.gz BEBSPCULEHXCQM-UHFFFAOYSA-N 0 3 288.394 3.826 20 30 CHEDHN Cc1cc(CN[C@@H](c2cccnc2)C2CC2)ccc1C#N ZINC000488292537 1127070044 /nfs/dbraw/zinc/07/00/44/1127070044.db2.gz JPQSZAPADXQBEK-GOSISDBHSA-N 0 3 277.371 3.503 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccccn1 ZINC000271254888 1127074273 /nfs/dbraw/zinc/07/42/73/1127074273.db2.gz IGEPVOYWPDCKMT-OAHLLOKOSA-N 0 3 279.387 3.926 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000271460331 1127083766 /nfs/dbraw/zinc/08/37/66/1127083766.db2.gz PQYLGWYESKAOBC-KGLIPLIRSA-N 0 3 265.360 3.674 20 30 CHEDHN CN(Cc1ccc(F)c(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339127794 1127114158 /nfs/dbraw/zinc/11/41/58/1127114158.db2.gz XTRJPOZBQOLIBW-ZYHUDNBSSA-N 0 3 266.747 3.603 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000349757043 1127159482 /nfs/dbraw/zinc/15/94/82/1127159482.db2.gz JTUZWFCCKAJWLR-WCQYABFASA-N 0 3 286.202 3.507 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2cccc(F)c2o1 ZINC000571942971 1127183149 /nfs/dbraw/zinc/18/31/49/1127183149.db2.gz LKDBFNZNMMCZIV-GMXVVIOVSA-N 0 3 272.323 3.915 20 30 CHEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000284514257 1127188339 /nfs/dbraw/zinc/18/83/39/1127188339.db2.gz VWFMORPUWQWWLZ-SFHVURJKSA-N 0 3 292.382 3.525 20 30 CHEDHN C=CCC[C@H](O)CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000351614610 1127198633 /nfs/dbraw/zinc/19/86/33/1127198633.db2.gz HZRDSUFPYRAEEW-UKPHBRMFSA-N 0 3 289.419 3.695 20 30 CHEDHN C=CCC[C@H](NCc1cnc(C)nc1)c1ccccc1 ZINC000351751444 1127207540 /nfs/dbraw/zinc/20/75/40/1127207540.db2.gz BHPLFNSPWSLTCM-KRWDZBQOSA-N 0 3 267.376 3.582 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCC1(F)F ZINC000589278463 1127216972 /nfs/dbraw/zinc/21/69/72/1127216972.db2.gz PVIOXOHMBJEBKH-ZDUSSCGKSA-N 0 3 292.373 3.965 20 30 CHEDHN CC(C)=CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353020394 1127257773 /nfs/dbraw/zinc/25/77/73/1127257773.db2.gz ICOOKNJFNPTTOM-UHFFFAOYSA-N 0 3 288.366 3.507 20 30 CHEDHN C#C[C@@H](C)N[C@@H](CC)c1ccc(Br)cc1 ZINC000166490975 1127284577 /nfs/dbraw/zinc/28/45/77/1127284577.db2.gz GSKOCFYMGUNRDO-MFKMUULPSA-N 0 3 266.182 3.512 20 30 CHEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cc(C#N)cs1 ZINC000355204747 1127324722 /nfs/dbraw/zinc/32/47/22/1127324722.db2.gz HXJNNRQIRHQYJN-HUUCEWRRSA-N 0 3 292.448 3.645 20 30 CHEDHN CC[C@@H](Cc1ccccc1)N(CC)Cc1ccncc1C#N ZINC000592074181 1127334773 /nfs/dbraw/zinc/33/47/73/1127334773.db2.gz KFWIJYCZAOKCTE-IBGZPJMESA-N 0 3 293.414 3.796 20 30 CHEDHN CC(C)(C)CN(Cc1ccncc1C#N)CC(C)(C)C ZINC000592099752 1127335738 /nfs/dbraw/zinc/33/57/38/1127335738.db2.gz SSVZADYTNIMWEG-UHFFFAOYSA-N 0 3 273.424 3.847 20 30 CHEDHN C[C@@H](CCC#N)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000593067074 1127368551 /nfs/dbraw/zinc/36/85/51/1127368551.db2.gz RTKMVGIVSLJWAB-OLZOCXBDSA-N 0 3 276.811 3.994 20 30 CHEDHN C[C@H]1CN(CCCC#N)CCc2ccc(Cl)cc21 ZINC000593065872 1127368654 /nfs/dbraw/zinc/36/86/54/1127368654.db2.gz IPXVQVCTGXCAHA-LBPRGKRZSA-N 0 3 262.784 3.605 20 30 CHEDHN C=CC[C@@H]1N(Cc2cnc([C@H](C)O)s2)CCCC1(C)C ZINC000289850651 1127384976 /nfs/dbraw/zinc/38/49/76/1127384976.db2.gz VKTLJYCVBJKOLW-JSGCOSHPSA-N 0 3 294.464 3.763 20 30 CHEDHN C=CCC[C@@H](CCC)NCc1csc(COC)n1 ZINC000289993683 1127385695 /nfs/dbraw/zinc/38/56/95/1127385695.db2.gz YOGSZNYDLYJTNO-GFCCVEGCSA-N 0 3 268.426 3.514 20 30 CHEDHN CC[C@@H]1CC[C@@H](C)N1Cc1cn2ccccc2c1C#N ZINC000357525665 1127391829 /nfs/dbraw/zinc/39/18/29/1127391829.db2.gz FIXKRTPDRPEDQI-UKRRQHHQSA-N 0 3 267.376 3.574 20 30 CHEDHN N#CC1(CN[C@@H]2CC[C@H](c3ccccc3)C2)CCCC1 ZINC000593654344 1127393732 /nfs/dbraw/zinc/39/37/32/1127393732.db2.gz BDVQBYVSKAXJIF-DLBZAZTESA-N 0 3 268.404 3.996 20 30 CHEDHN C[C@H](CNCC1(C#N)CCCC1)c1cc(F)cc(F)c1 ZINC000593654622 1127394030 /nfs/dbraw/zinc/39/40/30/1127394030.db2.gz LGWRZICYEYUEIM-GFCCVEGCSA-N 0 3 278.346 3.742 20 30 CHEDHN CC[C@@H](CC#N)NCCCOc1ccc2ccccc2c1 ZINC000594009442 1127407431 /nfs/dbraw/zinc/40/74/31/1127407431.db2.gz OVUYDUYNIDTJJR-KRWDZBQOSA-N 0 3 282.387 3.891 20 30 CHEDHN CC(C)(C#N)c1ccc(CNCc2cccs2)cc1 ZINC000594493272 1127418344 /nfs/dbraw/zinc/41/83/44/1127418344.db2.gz JZOMZTRMFYGDHN-UHFFFAOYSA-N 0 3 270.401 3.839 20 30 CHEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000594518658 1127420938 /nfs/dbraw/zinc/42/09/38/1127420938.db2.gz IVOHXEDBIHYNHU-ZLIFDBKOSA-N 0 3 290.382 3.696 20 30 CHEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccncc1 ZINC000594516789 1127421136 /nfs/dbraw/zinc/42/11/36/1127421136.db2.gz FTHXCBLGGNHFNK-CQSZACIVSA-N 0 3 277.371 3.683 20 30 CHEDHN C=C(CC)CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000358499456 1127424604 /nfs/dbraw/zinc/42/46/04/1127424604.db2.gz OJUMFIKMHVCWJP-HNNXBMFYSA-N 0 3 273.376 3.561 20 30 CHEDHN COc1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1C ZINC000594970608 1127437711 /nfs/dbraw/zinc/43/77/11/1127437711.db2.gz ZVMFXGLCOSATSY-UHFFFAOYSA-N 0 3 294.398 3.900 20 30 CHEDHN Cc1cc(C)cc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000594973992 1127438124 /nfs/dbraw/zinc/43/81/24/1127438124.db2.gz QNTYZJIWRNCZCN-UHFFFAOYSA-N 0 3 264.372 3.773 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1cccc(F)c1F ZINC000595059181 1127447371 /nfs/dbraw/zinc/44/73/71/1127447371.db2.gz MCYUVDCVVKRBFW-NSHDSACASA-N 0 3 271.376 3.925 20 30 CHEDHN COc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1C ZINC000595105985 1127453161 /nfs/dbraw/zinc/45/31/61/1127453161.db2.gz PVYXXRALYMWBGA-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN CCCCCCCN[C@H](C)c1nnc2n1CCCCC2 ZINC000059474607 1127456686 /nfs/dbraw/zinc/45/66/86/1127456686.db2.gz NDLFWJDZYYZSGC-CQSZACIVSA-N 0 3 278.444 3.626 20 30 CHEDHN CCCCCCC[C@H](C)N[C@@H](C)c1nnc2n1CCC2 ZINC000059487397 1127456749 /nfs/dbraw/zinc/45/67/49/1127456749.db2.gz DUMSUHRZROQMER-KBPBESRZSA-N 0 3 278.444 3.624 20 30 CHEDHN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC000359311342 1127458000 /nfs/dbraw/zinc/45/80/00/1127458000.db2.gz SWGPAZWHJSBOEU-IUODEOHRSA-N 0 3 260.406 3.632 20 30 CHEDHN CC[C@H](CC(F)F)CN(CCC#N)CCC(C)C ZINC000595346716 1127458679 /nfs/dbraw/zinc/45/86/79/1127458679.db2.gz KSYGKOHJDPVMHD-CYBMUJFWSA-N 0 3 260.372 3.930 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CC=CC1 ZINC000595336498 1127459160 /nfs/dbraw/zinc/45/91/60/1127459160.db2.gz ZKGZMIOOLLFQIJ-MSOLQXFVSA-N 0 3 266.388 3.724 20 30 CHEDHN N#Cc1ccc(CCN2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000595521186 1127464943 /nfs/dbraw/zinc/46/49/43/1127464943.db2.gz XHFFFGYPPRXCTI-SFHVURJKSA-N 0 3 292.382 3.921 20 30 CHEDHN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)CCCCC#N ZINC000595518343 1127465043 /nfs/dbraw/zinc/46/50/43/1127465043.db2.gz VRAVLYZHAWHZNY-LLVKDONJSA-N 0 3 290.798 3.903 20 30 CHEDHN C[C@H](NCc1cccc(F)c1C#N)C1CCC(F)CC1 ZINC000595821788 1127477327 /nfs/dbraw/zinc/47/73/27/1127477327.db2.gz GCFPZWHXVHLBPG-DCBWTQNWSA-N 0 3 278.346 3.704 20 30 CHEDHN CN(Cc1cccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596976898 1127523107 /nfs/dbraw/zinc/52/31/07/1127523107.db2.gz CIFJUMNGCMMMCI-UHFFFAOYSA-N 0 3 282.412 3.935 20 30 CHEDHN COc1ccc2ccccc2c1CN1CCC[C@H](CC#N)C1 ZINC000597175081 1127532862 /nfs/dbraw/zinc/53/28/62/1127532862.db2.gz VRBFLDVFKKMTOR-OAHLLOKOSA-N 0 3 294.398 3.974 20 30 CHEDHN N#CCC1CN(CC(c2ccccc2)c2ccccc2)C1 ZINC000597204482 1127535143 /nfs/dbraw/zinc/53/51/43/1127535143.db2.gz XFALODWJNRRNDJ-UHFFFAOYSA-N 0 3 276.383 3.664 20 30 CHEDHN C=CC[C@H]1N(Cc2cn(C)nc2C(F)F)CCCC1(C)C ZINC000361136700 1127540985 /nfs/dbraw/zinc/54/09/85/1127540985.db2.gz QTKRSILOYBHADM-CYBMUJFWSA-N 0 3 297.393 3.924 20 30 CHEDHN CN(CCCC#N)CCOc1ccccc1C(C)(C)C ZINC000361593881 1127575233 /nfs/dbraw/zinc/57/52/33/1127575233.db2.gz KHNDSVIRCBSSIL-UHFFFAOYSA-N 0 3 274.408 3.598 20 30 CHEDHN C[C@H](CCC#N)CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000602442323 1127580347 /nfs/dbraw/zinc/58/03/47/1127580347.db2.gz LYBQEQHESPEXAB-APWZRJJASA-N 0 3 293.414 3.833 20 30 CHEDHN N#CC1CCC(NCc2cc(-c3ccccc3)on2)CC1 ZINC000602529030 1127591483 /nfs/dbraw/zinc/59/14/83/1127591483.db2.gz SGGWMTBLLTUUJJ-UHFFFAOYSA-N 0 3 281.359 3.514 20 30 CHEDHN CC[C@@H](C)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000602534814 1127591949 /nfs/dbraw/zinc/59/19/49/1127591949.db2.gz ROFBWHHHWYHIGC-CZUORRHYSA-N 0 3 287.407 3.550 20 30 CHEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)C2CCCC2)n1 ZINC000602536467 1127592183 /nfs/dbraw/zinc/59/21/83/1127592183.db2.gz UDYAOPZYFJZDAT-IBGZPJMESA-N 0 3 291.398 3.974 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccc(C#N)c(F)c1 ZINC000361863534 1127595046 /nfs/dbraw/zinc/59/50/46/1127595046.db2.gz XBWXHZDSVYGLEC-UHFFFAOYSA-N 0 3 284.334 3.521 20 30 CHEDHN Cc1ccc(SC[C@H](C)NCc2cccc(C#N)n2)cc1 ZINC000602620096 1127597364 /nfs/dbraw/zinc/59/73/64/1127597364.db2.gz UMCLXWMSCSZHNL-AWEZNQCLSA-N 0 3 297.427 3.532 20 30 CHEDHN C=CCCC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602579371 1127596284 /nfs/dbraw/zinc/59/62/84/1127596284.db2.gz AEWSXTYYSHNDRK-NSHDSACASA-N 0 3 289.335 3.570 20 30 CHEDHN N#CCC1(CN2CCC3(CCc4ccccc4O3)CC2)CC1 ZINC000602903402 1127620879 /nfs/dbraw/zinc/62/08/79/1127620879.db2.gz OYBRGKXJHRRZJU-UHFFFAOYSA-N 0 3 296.414 3.540 20 30 CHEDHN C[C@@H](NCc1cccc2c1CCC2)c1ccc(C#N)cc1 ZINC000593584479 1127629749 /nfs/dbraw/zinc/62/97/49/1127629749.db2.gz GTJBIHPKYIYSIC-CQSZACIVSA-N 0 3 276.383 3.898 20 30 CHEDHN COC[C@@H](CC(C)(C)C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000593616381 1127637275 /nfs/dbraw/zinc/63/72/75/1127637275.db2.gz ZXPMUEYNHVJECU-GXTWGEPZSA-N 0 3 292.398 3.799 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccsc2C(F)(F)F)C1 ZINC000598974705 1127648401 /nfs/dbraw/zinc/64/84/01/1127648401.db2.gz FSEVPASFWGHWFY-SCZZXKLOSA-N 0 3 274.311 3.549 20 30 CHEDHN COc1ccc(CN(C)Cc2ccc(C)c(C#N)c2)cc1 ZINC000599257531 1127665296 /nfs/dbraw/zinc/66/52/96/1127665296.db2.gz KSPIZQYMPOMDMI-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN Cc1ccc(CN2CCC(c3cccnc3)CC2)cc1C#N ZINC000599342800 1127668496 /nfs/dbraw/zinc/66/84/96/1127668496.db2.gz WDLQWVXBDDYSQM-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN Cc1ccc(CNC2(c3ccccc3C)CC2)cc1C#N ZINC000599455929 1127673384 /nfs/dbraw/zinc/67/33/84/1127673384.db2.gz ZAPNPNLAJBFJBL-UHFFFAOYSA-N 0 3 276.383 3.954 20 30 CHEDHN C[C@H](CCC#N)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599516430 1127676720 /nfs/dbraw/zinc/67/67/20/1127676720.db2.gz UDCKAZFNQCGXFG-OCCSQVGLSA-N 0 3 278.346 3.836 20 30 CHEDHN N#Cc1cccc(CNC2(c3ccc(F)cc3)CCC2)c1 ZINC000604564809 1127709953 /nfs/dbraw/zinc/70/99/53/1127709953.db2.gz MRQFLAVQBGFCCP-UHFFFAOYSA-N 0 3 280.346 3.866 20 30 CHEDHN C=CCCCN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000605150771 1127729820 /nfs/dbraw/zinc/72/98/20/1127729820.db2.gz ZZLNGVYCPVUHOM-UHFFFAOYSA-N 0 3 254.377 3.801 20 30 CHEDHN N#CCCCN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000367138500 1127751551 /nfs/dbraw/zinc/75/15/51/1127751551.db2.gz PXFBOTYXMRZDPI-INIZCTEOSA-N 0 3 278.346 3.852 20 30 CHEDHN C#Cc1ccc(CN[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000367361990 1127753381 /nfs/dbraw/zinc/75/33/81/1127753381.db2.gz UEYDVDBRTSKZRL-OAHLLOKOSA-N 0 3 282.412 3.600 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCCCO1 ZINC000594040083 1127778530 /nfs/dbraw/zinc/77/85/30/1127778530.db2.gz CZGZPNQUTYTUEV-JKSUJKDBSA-N 0 3 292.810 3.649 20 30 CHEDHN C[C@H]1CC[C@]2(CCN(CC#Cc3ccc(F)cc3)C2)C1 ZINC000543810838 1127792651 /nfs/dbraw/zinc/79/26/51/1127792651.db2.gz LQVCBIJICMDSTO-YJBOKZPZSA-N 0 3 271.379 3.689 20 30 CHEDHN C[C@@H](CCC#N)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000411626334 1127867978 /nfs/dbraw/zinc/86/79/78/1127867978.db2.gz ZGLSTIZFGHTBKE-WDEREUQCSA-N 0 3 262.319 3.589 20 30 CHEDHN C[C@H](CCC#N)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000411753092 1127872415 /nfs/dbraw/zinc/87/24/15/1127872415.db2.gz FEVKJAGKBOEBNK-OCCSQVGLSA-N 0 3 262.784 3.822 20 30 CHEDHN CC1(C)CN(CCC2(C#N)CCCCC2)[C@H]1[C@@H]1CCCO1 ZINC000411752936 1127872717 /nfs/dbraw/zinc/87/27/17/1127872717.db2.gz OSTQWQCSQMIYEA-HOTGVXAUSA-N 0 3 290.451 3.740 20 30 CHEDHN CC(C)(C#N)CCCN1CC[C@@](F)(c2ccccc2)C1 ZINC000374531176 1127902600 /nfs/dbraw/zinc/90/26/00/1127902600.db2.gz PUFPMALVWNLGGI-KRWDZBQOSA-N 0 3 274.383 3.887 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1C ZINC000035256419 1127908676 /nfs/dbraw/zinc/90/86/76/1127908676.db2.gz KZOMFDCXFYIAOL-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN N#CCCCCNc1ccnc2ccc(C(F)(F)F)cc21 ZINC001168430694 1127928139 /nfs/dbraw/zinc/92/81/39/1127928139.db2.gz IMBCACUWYNLTOQ-UHFFFAOYSA-N 0 3 293.292 3.781 20 30 CHEDHN C=CCOc1ccccc1CN1CCSC(C)(C)C1 ZINC000539828878 1127945302 /nfs/dbraw/zinc/94/53/02/1127945302.db2.gz LLNFXYRVFJCCBO-UHFFFAOYSA-N 0 3 277.433 3.579 20 30 CHEDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(C)(C)C#N)[C@H]2C ZINC000543846277 1127949396 /nfs/dbraw/zinc/94/93/96/1127949396.db2.gz ADGKKOFJMMXBQD-KGLIPLIRSA-N 0 3 286.419 3.943 20 30 CHEDHN C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000543908689 1127952274 /nfs/dbraw/zinc/95/22/74/1127952274.db2.gz LYEIMMCKAIGCOX-DQYPLSBCSA-N 0 3 272.367 3.708 20 30 CHEDHN C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@@H]2CCCC[C@@H]21 ZINC000543908688 1127952794 /nfs/dbraw/zinc/95/27/94/1127952794.db2.gz LYEIMMCKAIGCOX-CSMYWGQOSA-N 0 3 272.367 3.708 20 30 CHEDHN C=CCCC[C@H](C)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000540295850 1127972488 /nfs/dbraw/zinc/97/24/88/1127972488.db2.gz FUVHKEXWWMUSCJ-AWEZNQCLSA-N 0 3 293.842 3.602 20 30 CHEDHN C[C@@H]1CN(CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000471049563 1127997308 /nfs/dbraw/zinc/99/73/08/1127997308.db2.gz ZWWCJVMQAIPCAP-BEFAXECRSA-N 0 3 292.382 3.630 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cnn(CC(C)C)c1 ZINC000542152450 1128052974 /nfs/dbraw/zinc/05/29/74/1128052974.db2.gz ZQSXGMIPFNAAPK-UHFFFAOYSA-N 0 3 297.446 3.770 20 30 CHEDHN Cc1ccsc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271910593 1128077375 /nfs/dbraw/zinc/07/73/75/1128077375.db2.gz ALJXRIFHVKTSSI-NSHDSACASA-N 0 3 274.364 3.918 20 30 CHEDHN C[C@@H]1CN(CCOc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000471022599 1128084864 /nfs/dbraw/zinc/08/48/64/1128084864.db2.gz ODUZWJOTYQPWKK-DNVCBOLYSA-N 0 3 292.382 3.630 20 30 CHEDHN CC(=O)Nc1cccc([C@H](C)N[C@H](C)CC(C)(C)C#N)c1 ZINC000924597946 1128106196 /nfs/dbraw/zinc/10/61/96/1128106196.db2.gz CKVZDAFNSCDTCG-OLZOCXBDSA-N 0 3 287.407 3.624 20 30 CHEDHN C=CCC[C@H](N[C@@H](C)c1ccnnc1)c1ccccc1 ZINC000925581081 1128132961 /nfs/dbraw/zinc/13/29/61/1128132961.db2.gz WAFDPKNQRASXTB-YOEHRIQHSA-N 0 3 267.376 3.835 20 30 CHEDHN C#CC[C@H](N[C@H](C)C1(Br)CC1)c1ccccc1 ZINC000925634016 1128134688 /nfs/dbraw/zinc/13/46/88/1128134688.db2.gz HRDUIKMAJQZTFW-OCCSQVGLSA-N 0 3 292.220 3.657 20 30 CHEDHN C#C[C@H]1CC[C@H](N[C@H]2COCc3cccc(Cl)c32)CC1 ZINC000926841224 1128197629 /nfs/dbraw/zinc/19/76/29/1128197629.db2.gz XUHFSOLMWMFBFD-NOLJZWGESA-N 0 3 289.806 3.693 20 30 CHEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccnnc1 ZINC000926478742 1128173969 /nfs/dbraw/zinc/17/39/69/1128173969.db2.gz CCYFTXAHGPGGLE-RHSMWYFYSA-N 0 3 280.375 3.562 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000926864765 1128199043 /nfs/dbraw/zinc/19/90/43/1128199043.db2.gz OMRMNTPFKDAOLF-NVXWUHKLSA-N 0 3 296.418 3.542 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)C2(Cl)CC2)c1 ZINC000925412713 1128191550 /nfs/dbraw/zinc/19/15/50/1128191550.db2.gz CBLCVUPOSRWZTE-OCCSQVGLSA-N 0 3 292.810 3.617 20 30 CHEDHN Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1C#N ZINC000926960664 1128205769 /nfs/dbraw/zinc/20/57/69/1128205769.db2.gz GEOCCULHHRHLCG-LJQANCHMSA-N 0 3 291.398 3.893 20 30 CHEDHN C=CCN(C/C=C/c1ccncc1)Cc1ccc(OC)cc1 ZINC000495170335 1128240442 /nfs/dbraw/zinc/24/04/42/1128240442.db2.gz CPGVOPHFXZBAPG-SNAWJCMRSA-N 0 3 294.398 3.792 20 30 CHEDHN CN(CCCCC1(C#N)CCC1)Cc1cc(Cl)cn1C ZINC000929826867 1128289232 /nfs/dbraw/zinc/28/92/32/1128289232.db2.gz YUJNMGDHSDTSIQ-UHFFFAOYSA-N 0 3 293.842 3.974 20 30 CHEDHN C[C@@H](NCc1cncc(C#N)c1)c1cccc(C2CC2)c1 ZINC000930594839 1128327271 /nfs/dbraw/zinc/32/72/71/1128327271.db2.gz RIDKPVWOKWONHP-CYBMUJFWSA-N 0 3 277.371 3.681 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000763096237 1128350735 /nfs/dbraw/zinc/35/07/35/1128350735.db2.gz IBYUQTQDDHEJJK-MDBUFAAASA-N 0 3 296.361 3.845 20 30 CHEDHN C[C@@H](CCC#N)N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933658143 1128440049 /nfs/dbraw/zinc/44/00/49/1128440049.db2.gz WOLKEYRWNWSKCF-YJBOKZPZSA-N 0 3 282.387 3.619 20 30 CHEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1cncs1 ZINC000934193784 1128454146 /nfs/dbraw/zinc/45/41/46/1128454146.db2.gz NBSZTZVSDFGVFD-GFCCVEGCSA-N 0 3 263.410 3.658 20 30 CHEDHN Cc1cccc(CCCN(CCC#N)CC(C)C)c1 ZINC000778214757 1128450418 /nfs/dbraw/zinc/45/04/18/1128450418.db2.gz KGUHXIUURQPEOS-UHFFFAOYSA-N 0 3 258.409 3.799 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OCCC)c(OCC)c1 ZINC000497142656 1128455437 /nfs/dbraw/zinc/45/54/37/1128455437.db2.gz HGTYLNNFJPLRMO-UHFFFAOYSA-N 0 3 277.408 3.882 20 30 CHEDHN C#CCN(Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000917074042 1128473714 /nfs/dbraw/zinc/47/37/14/1128473714.db2.gz NWOIMBKLPJHPCP-UHFFFAOYSA-N 0 3 255.283 3.549 20 30 CHEDHN C=CCN(Cc1ccccc1OC(F)F)C(C)C ZINC000917071517 1128475856 /nfs/dbraw/zinc/47/58/56/1128475856.db2.gz UIJVBCFDHGNMQO-UHFFFAOYSA-N 0 3 255.308 3.684 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(C)n2)c([O-])c1 ZINC000917559810 1128506054 /nfs/dbraw/zinc/50/60/54/1128506054.db2.gz VYJPYKCUOXTFMR-XDHOZWIPSA-N 0 3 297.402 3.561 20 30 CHEDHN Cc1csc(C(C#N)=C([O-])c2ccc(Cl)cc2C)n1 ZINC000129986486 1128560485 /nfs/dbraw/zinc/56/04/85/1128560485.db2.gz FVUFYTOIBAXTPL-LBPRGKRZSA-N 0 3 290.775 3.903 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(Cl)cc2C)n1 ZINC000129986486 1128560489 /nfs/dbraw/zinc/56/04/89/1128560489.db2.gz FVUFYTOIBAXTPL-LBPRGKRZSA-N 0 3 290.775 3.903 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Oc2ccccc2)C1 ZINC000567791223 1128572032 /nfs/dbraw/zinc/57/20/32/1128572032.db2.gz KUKYVIHLDSMUHZ-KXBFYZLASA-N 0 3 292.382 3.773 20 30 CHEDHN Cc1cc(NC2=CC[C@H](C#N)CC2)c2ccccc2n1 ZINC001212854615 1128599942 /nfs/dbraw/zinc/59/99/42/1128599942.db2.gz IUFHMJKTCVVTPD-ZDUSSCGKSA-N 0 3 263.344 3.585 20 30 CHEDHN C=CCC[C@@H](NC[C@H]1COc2ccccc2O1)c1ccco1 ZINC000556865780 1128630593 /nfs/dbraw/zinc/63/05/93/1128630593.db2.gz IIQMIRIQZCLREB-LSDHHAIUSA-N 0 3 299.370 3.717 20 30 CHEDHN C=CCC[C@@H](NC[C@H]1CCC(C)(C)O1)c1ccco1 ZINC000572298097 1128643891 /nfs/dbraw/zinc/64/38/91/1128643891.db2.gz KNBONZUXZQIZQS-ZIAGYGMSSA-N 0 3 263.381 3.834 20 30 CHEDHN CC#CCN(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000572909294 1128649622 /nfs/dbraw/zinc/64/96/22/1128649622.db2.gz LCOOQKNKCDDNMG-GFCCVEGCSA-N 0 3 269.310 3.592 20 30 CHEDHN CC(C)C[N@H+](CCC#N)Cc1c([O-])ccc2ccccc21 ZINC000919944551 1128652957 /nfs/dbraw/zinc/65/29/57/1128652957.db2.gz JDKRXKUTCNXWBA-UHFFFAOYSA-N 0 3 282.387 3.917 20 30 CHEDHN CC(C)C[N@@H+](CCC#N)Cc1c([O-])ccc2ccccc21 ZINC000919944551 1128652959 /nfs/dbraw/zinc/65/29/59/1128652959.db2.gz JDKRXKUTCNXWBA-UHFFFAOYSA-N 0 3 282.387 3.917 20 30 CHEDHN C=CCN(CCC[C@H]1CCO1)Cc1ccc(Cl)s1 ZINC000637866654 1129232211 /nfs/dbraw/zinc/23/22/11/1129232211.db2.gz BLDVILKNLHZSCY-LBPRGKRZSA-N 0 3 285.840 3.959 20 30 CHEDHN C=C(Cl)CN(CCc1ccccc1)CC(C)C ZINC000921113344 1128700582 /nfs/dbraw/zinc/70/05/82/1128700582.db2.gz YBULSQJWNQNYEO-UHFFFAOYSA-N 0 3 251.801 3.940 20 30 CHEDHN N#Cc1ccc(CNCc2cccc(-c3ccccn3)c2)cc1 ZINC000126832422 1117747878 /nfs/dbraw/zinc/74/78/78/1117747878.db2.gz XEWCOFWAKXCFPN-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN N#CCOc1ccc(CNCc2ccc(Cl)cc2)cc1 ZINC000035055478 1117765423 /nfs/dbraw/zinc/76/54/23/1117765423.db2.gz TZLVEOZLSJAHKE-UHFFFAOYSA-N 0 3 286.762 3.532 20 30 CHEDHN C=CCCCCCN1CCc2nc(C(C)C)ncc2C1 ZINC000623252550 1117826875 /nfs/dbraw/zinc/82/68/75/1117826875.db2.gz RWPSGVXKQVOVHK-UHFFFAOYSA-N 0 3 273.424 3.705 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1csc(C(F)(F)F)c1 ZINC000623539943 1117869574 /nfs/dbraw/zinc/86/95/74/1117869574.db2.gz DPZGQCJTOUBHLX-MNOVXSKESA-N 0 3 291.338 3.590 20 30 CHEDHN Cc1ccc(C(C)(C)CN(C)Cc2ccc(C#N)cn2)cc1 ZINC000562496568 1117905823 /nfs/dbraw/zinc/90/58/23/1117905823.db2.gz TVEOGMMESUACBA-UHFFFAOYSA-N 0 3 293.414 3.671 20 30 CHEDHN C=CC(C)(C)CCN[C@H](c1ccccc1)c1cncnc1 ZINC000624037178 1117973851 /nfs/dbraw/zinc/97/38/51/1117973851.db2.gz PEESLAHWFRAUKB-QGZVFWFLSA-N 0 3 281.403 3.758 20 30 CHEDHN C=CCCCCN1CCc2ncc(Br)cc2C1 ZINC001209204281 1118011142 /nfs/dbraw/zinc/01/11/42/1118011142.db2.gz BDHSGXZRFUOOHX-UHFFFAOYSA-N 0 3 295.224 3.559 20 30 CHEDHN C=CC[C@H](C)N[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183771633 1118048323 /nfs/dbraw/zinc/04/83/23/1118048323.db2.gz MBFLUIIFYBFIPJ-SUMWQHHRSA-N 0 3 270.351 3.864 20 30 CHEDHN Cc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000237702436 1128752584 /nfs/dbraw/zinc/75/25/84/1128752584.db2.gz DSDATUCTTKQVKU-HNNXBMFYSA-N 0 3 280.371 3.576 20 30 CHEDHN C=CCCCCCCCN1CCC(F)(C(=O)OCC)CC1 ZINC001209439760 1118058062 /nfs/dbraw/zinc/05/80/62/1118058062.db2.gz YDCNTFDOCPDQBS-UHFFFAOYSA-N 0 3 299.430 3.880 20 30 CHEDHN C=CCCCCCCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC001209442274 1118062664 /nfs/dbraw/zinc/06/26/64/1118062664.db2.gz PAWUPRCHIPXUJU-HNNXBMFYSA-N 0 3 286.410 3.538 20 30 CHEDHN CC#CCN[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000119407619 1118093063 /nfs/dbraw/zinc/09/30/63/1118093063.db2.gz OFQAZMVGACANBY-LBPRGKRZSA-N 0 3 270.401 3.792 20 30 CHEDHN Cc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000237749494 1128756932 /nfs/dbraw/zinc/75/69/32/1128756932.db2.gz KJEMSUVDOOZPKI-UHFFFAOYSA-N 0 3 294.398 3.967 20 30 CHEDHN CC[C@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC000653877545 1118125465 /nfs/dbraw/zinc/12/54/65/1118125465.db2.gz OTDHDTYFGQHOQD-DLBZAZTESA-N 0 3 291.822 3.629 20 30 CHEDHN C[C@@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccc(C#N)cc1 ZINC000921516984 1118156126 /nfs/dbraw/zinc/15/61/26/1118156126.db2.gz WXZRGBXRZSINLQ-ZIAGYGMSSA-N 0 3 292.382 3.732 20 30 CHEDHN Cc1cccnc1[C@@H](NCc1ccc(C#N)cc1)C(C)C ZINC000172037867 1118169258 /nfs/dbraw/zinc/16/92/58/1118169258.db2.gz ADUIUJXINWJLNS-KRWDZBQOSA-N 0 3 279.387 3.749 20 30 CHEDHN Cc1cccnc1[C@H](NCc1ccc(C#N)cc1)C(C)C ZINC000172037861 1118169439 /nfs/dbraw/zinc/16/94/39/1118169439.db2.gz ADUIUJXINWJLNS-QGZVFWFLSA-N 0 3 279.387 3.749 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)CCOc1ccccc1F ZINC000186163060 1118194686 /nfs/dbraw/zinc/19/46/86/1118194686.db2.gz SDEWISUEYBCINC-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN CCc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000615795794 1128762905 /nfs/dbraw/zinc/76/29/05/1128762905.db2.gz YQLBJUIIBVUKLO-CQSZACIVSA-N 0 3 264.372 3.971 20 30 CHEDHN N#CCCN[C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449287085 1118271042 /nfs/dbraw/zinc/27/10/42/1118271042.db2.gz JEJZOWBDSNHMML-HNNXBMFYSA-N 0 3 260.768 3.779 20 30 CHEDHN CCN(CCC#N)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000076071654 1128768832 /nfs/dbraw/zinc/76/88/32/1128768832.db2.gz TYRNXDKZRNYBAC-MRXNPFEDSA-N 0 3 262.372 3.628 20 30 CHEDHN C=CCOCCN[C@@H](CCC(C)C)c1ccoc1 ZINC000671759982 1118353973 /nfs/dbraw/zinc/35/39/73/1118353973.db2.gz GHFAMGRHRUPTOB-HNNXBMFYSA-N 0 3 251.370 3.549 20 30 CHEDHN Cc1ccccc1[C@@H](C(C)C)N(C)CC1(C#N)CC1 ZINC000539451901 1118405963 /nfs/dbraw/zinc/40/59/63/1118405963.db2.gz CRYMTWLLKJZFPD-MRXNPFEDSA-N 0 3 256.393 3.928 20 30 CHEDHN CC(C)[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000071029247 1118422189 /nfs/dbraw/zinc/42/21/89/1118422189.db2.gz CHHIARJGYBLOEP-OAHLLOKOSA-N 0 3 256.393 3.816 20 30 CHEDHN CN1CCC[C@@H](NCc2ccc(C#N)cc2)c2ccccc21 ZINC000334576855 1118556162 /nfs/dbraw/zinc/55/61/62/1118556162.db2.gz AUUOBMJATAFBHL-GOSISDBHSA-N 0 3 291.398 3.619 20 30 CHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000341224760 1118627966 /nfs/dbraw/zinc/62/79/66/1118627966.db2.gz PSAONJQXZGJKCU-GDBMZVCRSA-N 0 3 281.403 3.821 20 30 CHEDHN N#Cc1ccccc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC000250078109 1118628260 /nfs/dbraw/zinc/62/82/60/1118628260.db2.gz FSIMXDFYCROOJS-ZBFHGGJFSA-N 0 3 254.377 3.570 20 30 CHEDHN N#CC(C(=O)C1CCCCCCC1)c1ccccn1 ZINC000076824269 1118653987 /nfs/dbraw/zinc/65/39/87/1118653987.db2.gz RDPWDAGLSRPVNG-AWEZNQCLSA-N 0 3 256.349 3.618 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000668493350 1118673535 /nfs/dbraw/zinc/67/35/35/1118673535.db2.gz MYDWLJLORMDDOD-LBPRGKRZSA-N 0 3 262.422 3.809 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1cc(F)cc(C#N)c1 ZINC000213438940 1118778216 /nfs/dbraw/zinc/77/82/16/1118778216.db2.gz BLQUTNJKSKDFTA-INIZCTEOSA-N 0 3 260.356 3.852 20 30 CHEDHN CCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000127382713 1118795765 /nfs/dbraw/zinc/79/57/65/1118795765.db2.gz BYEDTCLTVBYBBY-UHFFFAOYSA-N 0 3 280.371 3.589 20 30 CHEDHN COc1ccc([C@@H]2CCN(Cc3csc(C#N)c3)C2)cc1 ZINC000891870743 1118815653 /nfs/dbraw/zinc/81/56/53/1118815653.db2.gz WHJOUSPRCKZOPX-OAHLLOKOSA-N 0 3 298.411 3.618 20 30 CHEDHN CC(C)(C)N(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610993855 1118917230 /nfs/dbraw/zinc/91/72/30/1118917230.db2.gz FQVIRJQNAHGHQR-UHFFFAOYSA-N 0 3 279.387 3.754 20 30 CHEDHN N#Cc1cc(CN[C@H](c2ccccc2)C2CCC2)ccn1 ZINC000610993625 1118917606 /nfs/dbraw/zinc/91/76/06/1118917606.db2.gz XBQPBLVULPGTRN-GOSISDBHSA-N 0 3 277.371 3.584 20 30 CHEDHN C=CCCCCC[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000892069084 1118955042 /nfs/dbraw/zinc/95/50/42/1118955042.db2.gz FLTUGVFRUVCPCQ-UHFFFAOYSA-N 0 3 293.407 3.588 20 30 CHEDHN C=CCCCCC[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000892069084 1118955045 /nfs/dbraw/zinc/95/50/45/1118955045.db2.gz FLTUGVFRUVCPCQ-UHFFFAOYSA-N 0 3 293.407 3.588 20 30 CHEDHN N#CCCN(Cc1c(O)ccc2ccccc21)CC1CC1 ZINC000103459674 1118959655 /nfs/dbraw/zinc/95/96/55/1118959655.db2.gz QDDBCSWSWKXBFK-UHFFFAOYSA-N 0 3 280.371 3.671 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2OC2CCCC2)C1 ZINC000472140925 1118993943 /nfs/dbraw/zinc/99/39/43/1118993943.db2.gz VTBDFPNQTHGYGY-GDBMZVCRSA-N 0 3 284.403 3.790 20 30 CHEDHN Cc1cc(F)ccc1CN(C)Cc1ccc(C#N)cc1C ZINC000617061284 1128814801 /nfs/dbraw/zinc/81/48/01/1128814801.db2.gz VNBYCFNGDPMBGF-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN C=C(C)CN1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934417715 1119067354 /nfs/dbraw/zinc/06/73/54/1119067354.db2.gz MJHKJFQBNVDIOY-UHFFFAOYSA-N 0 3 277.795 3.811 20 30 CHEDHN C=CC[C@@H]1CCN1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000934467938 1119081025 /nfs/dbraw/zinc/08/10/25/1119081025.db2.gz WDKNJNOZCMNVEY-OAHLLOKOSA-N 0 3 283.371 3.560 20 30 CHEDHN C#CCOc1ccccc1CN[C@H](C)c1ccc(C)s1 ZINC000049158967 1119087348 /nfs/dbraw/zinc/08/73/48/1119087348.db2.gz ZPJMNSZGPHTOJP-CQSZACIVSA-N 0 3 285.412 3.919 20 30 CHEDHN C=C(C)[C@@H](CO)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000685005093 1119164645 /nfs/dbraw/zinc/16/46/45/1119164645.db2.gz SILGNJFDVYIGHU-OAHLLOKOSA-N 0 3 297.801 3.538 20 30 CHEDHN C=CCCC1(CNCc2cn(C3CCC3)nn2)CCCC1 ZINC000657567762 1119187791 /nfs/dbraw/zinc/18/77/91/1119187791.db2.gz XQMXNWWXPAGGRJ-UHFFFAOYSA-N 0 3 288.439 3.619 20 30 CHEDHN Cc1ncc(C#N)cc1Nc1ccnc(C(C)(C)C)c1 ZINC001213164140 1119196872 /nfs/dbraw/zinc/19/68/72/1119196872.db2.gz JJCGECFAMGHYAS-UHFFFAOYSA-N 0 3 266.348 3.698 20 30 CHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1cccc(F)c1 ZINC000166518978 1119259226 /nfs/dbraw/zinc/25/92/26/1119259226.db2.gz FJLMNKFWRXDVLM-QGZVFWFLSA-N 0 3 268.335 3.938 20 30 CHEDHN C[C@@H](c1ccc(F)cc1)N(C)Cc1cccc(C#N)c1 ZINC000248039711 1119305440 /nfs/dbraw/zinc/30/54/40/1119305440.db2.gz KNOUTVOXFMNLPV-ZDUSSCGKSA-N 0 3 268.335 3.890 20 30 CHEDHN C=CCOCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000319350974 1119338522 /nfs/dbraw/zinc/33/85/22/1119338522.db2.gz MTIXSAIZNHXMBK-IBGZPJMESA-N 0 3 297.398 3.577 20 30 CHEDHN C=CCOc1cccc(CNCc2cccc(OC)c2C)c1 ZINC000657801954 1119428239 /nfs/dbraw/zinc/42/82/39/1119428239.db2.gz OOMXIYBYDLXCIN-UHFFFAOYSA-N 0 3 297.398 3.858 20 30 CHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C2CC2)C1 ZINC000329677641 1119477198 /nfs/dbraw/zinc/47/71/98/1119477198.db2.gz WRHYOBDMXOLXNN-CJNGLKHVSA-N 0 3 297.402 3.657 20 30 CHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C2CC2)C1 ZINC000329677640 1119477583 /nfs/dbraw/zinc/47/75/83/1119477583.db2.gz WRHYOBDMXOLXNN-BBRMVZONSA-N 0 3 297.402 3.657 20 30 CHEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(CC#N)cc1 ZINC000343763668 1119512086 /nfs/dbraw/zinc/51/20/86/1119512086.db2.gz LWAQTJSHNAGHMS-SFHVURJKSA-N 0 3 279.387 3.731 20 30 CHEDHN C=CCC[C@H](NC[C@H]1CCC[C@@H](C)O1)c1ccco1 ZINC000658215278 1119707948 /nfs/dbraw/zinc/70/79/48/1119707948.db2.gz GYANIHWYSMPZQQ-KFWWJZLASA-N 0 3 263.381 3.834 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccco1 ZINC000658215276 1119708078 /nfs/dbraw/zinc/70/80/78/1119708078.db2.gz GYANIHWYSMPZQQ-ILXRZTDVSA-N 0 3 263.381 3.834 20 30 CHEDHN CCC(C)(C)NCc1cc(C#N)ccc1Br ZINC000309984617 1119711585 /nfs/dbraw/zinc/71/15/85/1119711585.db2.gz XTPZJRVREKNALB-UHFFFAOYSA-N 0 3 281.197 3.599 20 30 CHEDHN N#CC(C(=O)CCCCc1ccccc1)c1ccccn1 ZINC000892482716 1119772147 /nfs/dbraw/zinc/77/21/47/1119772147.db2.gz HDNPDIQMJFRESP-INIZCTEOSA-N 0 3 278.355 3.671 20 30 CHEDHN C=CCOCCCN[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000926705721 1119831974 /nfs/dbraw/zinc/83/19/74/1119831974.db2.gz VRJJNANWBVKRFW-LJQANCHMSA-N 0 3 296.414 3.662 20 30 CHEDHN C[C@H](C1CC1)N(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000721601618 1119842630 /nfs/dbraw/zinc/84/26/30/1119842630.db2.gz GRUDKZSYZOZHPI-OAHLLOKOSA-N 0 3 291.398 3.754 20 30 CHEDHN C=CC[C@H](CC)N[C@H](C)c1ncc(Br)s1 ZINC000281688638 1119858355 /nfs/dbraw/zinc/85/83/55/1119858355.db2.gz RXMMHXWBKKSIDN-BDAKNGLRSA-N 0 3 289.242 3.911 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nccn1CC ZINC000414299296 1119972081 /nfs/dbraw/zinc/97/20/81/1119972081.db2.gz KNCYENIHJLDKIN-RDJZCZTQSA-N 0 3 283.419 3.741 20 30 CHEDHN C=CC[C@H](C)NCc1cccc(F)c1Br ZINC000122263746 1120102578 /nfs/dbraw/zinc/10/25/78/1120102578.db2.gz RLESQRHSZUVWTC-VIFPVBQESA-N 0 3 272.161 3.642 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1CCC(F)(F)C1 ZINC000311878318 1120105194 /nfs/dbraw/zinc/10/51/94/1120105194.db2.gz MUSBLNNHJJRJHM-CYBMUJFWSA-N 0 3 267.319 3.529 20 30 CHEDHN Cc1cccc2c1CC[C@H]2NCc1csc(C#N)c1 ZINC000921697016 1120137040 /nfs/dbraw/zinc/13/70/40/1120137040.db2.gz FJEGJRFBAIWJQX-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN C=CCOCCN[C@H](C)c1oc2ccccc2c1CC ZINC000312530289 1120157302 /nfs/dbraw/zinc/15/73/02/1120157302.db2.gz HGMIOPPHSCGMDW-CYBMUJFWSA-N 0 3 273.376 3.848 20 30 CHEDHN CC(C)(CCC#N)CNCc1coc(-c2cccs2)n1 ZINC000174307618 1120167255 /nfs/dbraw/zinc/16/72/55/1120167255.db2.gz DIFSBNHTNINNMU-UHFFFAOYSA-N 0 3 289.404 3.823 20 30 CHEDHN CC(C)c1ccc(O[C@H](C)CNCc2ccc(C#N)o2)cc1 ZINC000554710374 1120169440 /nfs/dbraw/zinc/16/94/40/1120169440.db2.gz AHOCGYKLTLCGFP-CQSZACIVSA-N 0 3 298.386 3.832 20 30 CHEDHN N#Cc1ccc(F)c(CN2CCC3(C2)CCCCC3)c1 ZINC000303850376 1120186045 /nfs/dbraw/zinc/18/60/45/1120186045.db2.gz DLZGMEAXPQMPFQ-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN Cc1cc(CN[C@@H]2CSCc3ccccc32)ccc1C#N ZINC000618192019 1128900405 /nfs/dbraw/zinc/90/04/05/1128900405.db2.gz XCDQNSSKYCCISW-GOSISDBHSA-N 0 3 294.423 3.944 20 30 CHEDHN C#CC[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921934938 1120289778 /nfs/dbraw/zinc/28/97/78/1120289778.db2.gz ICVTZTKHCNIROA-IBGZPJMESA-N 0 3 291.394 3.866 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccncc1 ZINC000181805964 1128905111 /nfs/dbraw/zinc/90/51/11/1128905111.db2.gz WUCRJYBEIZDTCQ-KBXCAEBGSA-N 0 3 295.386 3.786 20 30 CHEDHN C=CCOCCN[C@H](CC(F)(F)F)c1ccccc1C ZINC000339128863 1120294680 /nfs/dbraw/zinc/29/46/80/1120294680.db2.gz BNFRBLYKTRGCNG-CQSZACIVSA-N 0 3 287.325 3.781 20 30 CHEDHN CC(C)(NCc1cccc(C#N)c1)c1cccc(F)c1 ZINC000076902093 1120300961 /nfs/dbraw/zinc/30/09/61/1120300961.db2.gz RGSQPRUSXRNZFY-UHFFFAOYSA-N 0 3 268.335 3.722 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000067501621 1120443361 /nfs/dbraw/zinc/44/33/61/1120443361.db2.gz XCHCOAHTLOILBB-QGZVFWFLSA-N 0 3 282.774 3.989 20 30 CHEDHN N#Cc1cc(CNC[C@@H]2CC[C@H](c3ccccc3)O2)cs1 ZINC000922222746 1120476463 /nfs/dbraw/zinc/47/64/63/1120476463.db2.gz STDNMRILZHABFL-DOTOQJQBSA-N 0 3 298.411 3.630 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(Cl)s1 ZINC000695789734 1120485255 /nfs/dbraw/zinc/48/52/55/1120485255.db2.gz WTMUBGQEXRWBRH-SECBINFHSA-N 0 3 256.802 3.819 20 30 CHEDHN N#CCC1(N[C@H]2Cc3cccc(Cl)c3C2)CCCC1 ZINC001168718903 1120496098 /nfs/dbraw/zinc/49/60/98/1120496098.db2.gz SYDUMCLZRGQMHZ-ZDUSSCGKSA-N 0 3 274.795 3.623 20 30 CHEDHN C=C(C)[C@@H](N[C@H]1COC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000418016490 1120503753 /nfs/dbraw/zinc/50/37/53/1120503753.db2.gz WXCYMIVRBYCTPJ-IUODEOHRSA-N 0 3 281.346 3.739 20 30 CHEDHN C=CCN(Cc1cnc(-c2ccccc2)o1)C(C)C ZINC000929292382 1120510090 /nfs/dbraw/zinc/51/00/90/1120510090.db2.gz LGLHDOULCPXEDX-UHFFFAOYSA-N 0 3 256.349 3.738 20 30 CHEDHN C=CCCN1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000499849525 1120539978 /nfs/dbraw/zinc/53/99/78/1120539978.db2.gz IJEMMCSPEJEBCV-CQSZACIVSA-N 0 3 278.827 3.595 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]2c2ccccc2)s1 ZINC000123663603 1120542092 /nfs/dbraw/zinc/54/20/92/1120542092.db2.gz SFCMHJQZKKKKKI-INIZCTEOSA-N 0 3 268.385 3.957 20 30 CHEDHN CN(C/C=C/c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000131189783 1120650218 /nfs/dbraw/zinc/65/02/18/1120650218.db2.gz UPAHNKTVOJJBSA-NSCUHMNNSA-N 0 3 280.346 3.843 20 30 CHEDHN C=CC[C@H](N[C@H]1CCc2ccc(OC)cc21)c1ccncc1 ZINC000766023014 1120666402 /nfs/dbraw/zinc/66/64/02/1120666402.db2.gz ZFQQYXMFPSUYFM-OALUTQOASA-N 0 3 294.398 3.985 20 30 CHEDHN C=CCN(CC=C)CCc1cccc(OC(F)(F)F)c1 ZINC001205052411 1120698688 /nfs/dbraw/zinc/69/86/88/1120698688.db2.gz HASSXQPHHGXMBB-UHFFFAOYSA-N 0 3 285.309 3.802 20 30 CHEDHN C=CC[C@H]1CC[C@H](NCc2nc(C)c3ccccc3n2)C1 ZINC000651695366 1120713844 /nfs/dbraw/zinc/71/38/44/1120713844.db2.gz HAJBPHJVHUAJKL-GJZGRUSLSA-N 0 3 281.403 3.773 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2nc(C)c3ccccc3n2)C1 ZINC000651695367 1120714066 /nfs/dbraw/zinc/71/40/66/1120714066.db2.gz HAJBPHJVHUAJKL-HUUCEWRRSA-N 0 3 281.403 3.773 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccco2)o1 ZINC000661117033 1120721027 /nfs/dbraw/zinc/72/10/27/1120721027.db2.gz CLMRPNLQQGTSBM-CHWSQXEVSA-N 0 3 287.363 3.554 20 30 CHEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000651732383 1120729947 /nfs/dbraw/zinc/72/99/47/1120729947.db2.gz SXPOXNYFZDDOSZ-OAGGEKHMSA-N 0 3 296.418 3.663 20 30 CHEDHN CC[C@@H](NCc1ccc(F)c(C#N)c1)c1cccs1 ZINC000184093866 1120739752 /nfs/dbraw/zinc/73/97/52/1120739752.db2.gz MRECHRZRWPEZPG-CQSZACIVSA-N 0 3 274.364 4.000 20 30 CHEDHN CO[C@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000618795242 1128939065 /nfs/dbraw/zinc/93/90/65/1128939065.db2.gz LNMCSTVUYJJXSU-ACJLOTCBSA-N 0 3 298.361 3.563 20 30 CHEDHN C[C@@H](NCC1(C#N)CCCCC1)C(C)(C)C(F)F ZINC000595091952 1120773894 /nfs/dbraw/zinc/77/38/94/1120773894.db2.gz VOJDUJTVOKJURT-LLVKDONJSA-N 0 3 258.356 3.730 20 30 CHEDHN Cc1ccc([C@H](C)NCc2cc(C#N)ccc2F)c(O)c1C ZINC000756734616 1120776531 /nfs/dbraw/zinc/77/65/31/1120776531.db2.gz XLKGGBQYGHPWNA-ZDUSSCGKSA-N 0 3 298.361 3.871 20 30 CHEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000511897599 1120815375 /nfs/dbraw/zinc/81/53/75/1120815375.db2.gz UEFOEYZZNSKZCQ-BBWFWOEESA-N 0 3 266.388 3.558 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2nc3ccccc3s2)C1 ZINC000625702213 1121060578 /nfs/dbraw/zinc/06/05/78/1121060578.db2.gz FLFOGVCEJBZGFQ-GFCCVEGCSA-N 0 3 258.390 3.694 20 30 CHEDHN C/C=C/C[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC001175052505 1121162598 /nfs/dbraw/zinc/16/25/98/1121162598.db2.gz GCLBKLSSCMDMKN-YATRRXNKSA-N 0 3 271.379 3.855 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1oc2ccccc2c1C ZINC000163516700 1121181537 /nfs/dbraw/zinc/18/15/37/1121181537.db2.gz SBHIBCLEWLNDIR-CQSZACIVSA-N 0 3 273.376 3.985 20 30 CHEDHN C=CCC[C@H](CO)N[C@H](C)c1cccc(Cl)c1Cl ZINC000320155996 1121182749 /nfs/dbraw/zinc/18/27/49/1121182749.db2.gz ADJREQRYKWTCAY-GHMZBOCLSA-N 0 3 288.218 3.971 20 30 CHEDHN C=CC[C@H](CO)N[C@@H](CC)c1ccc(Cl)cc1Cl ZINC000320268850 1121286537 /nfs/dbraw/zinc/28/65/37/1121286537.db2.gz LLNVESJYIZALQS-RISCZKNCSA-N 0 3 288.218 3.971 20 30 CHEDHN C=C[C@H](C)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000675933405 1121388003 /nfs/dbraw/zinc/38/80/03/1121388003.db2.gz DLTNWLYYBDHLNT-GWCFXTLKSA-N 0 3 273.298 3.557 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000843423236 1121478153 /nfs/dbraw/zinc/47/81/53/1121478153.db2.gz AOMHGWIABYJOQE-ZDUSSCGKSA-N 0 3 276.449 3.676 20 30 CHEDHN C#CCOc1ccc(CNCc2ccc(CC)cc2)cc1 ZINC000236922899 1121483876 /nfs/dbraw/zinc/48/38/76/1121483876.db2.gz CLXSTHARJJKKOM-UHFFFAOYSA-N 0 3 279.383 3.551 20 30 CHEDHN C#CCC1(NCc2ncc(CSC)s2)CCCCC1 ZINC000922981613 1121504725 /nfs/dbraw/zinc/50/47/25/1121504725.db2.gz QWKRUTHJMLULAZ-UHFFFAOYSA-N 0 3 294.489 3.822 20 30 CHEDHN Cn1nccc1[C@H]1CCCCN1CCCCC(C)(C)C#N ZINC000369712137 1121575004 /nfs/dbraw/zinc/57/50/04/1121575004.db2.gz KBMNLBLKFNXHKE-MRXNPFEDSA-N 0 3 288.439 3.667 20 30 CHEDHN C=CCOCCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000470777832 1121590807 /nfs/dbraw/zinc/59/08/07/1121590807.db2.gz BRDMFMPYIJBONL-UHFFFAOYSA-N 0 3 297.398 3.897 20 30 CHEDHN C=C(CNCc1scnc1C1CC1)c1ccccc1 ZINC000486955932 1121615974 /nfs/dbraw/zinc/61/59/74/1121615974.db2.gz MEKQIWQCPMQARS-UHFFFAOYSA-N 0 3 270.401 3.824 20 30 CHEDHN C[C@H](c1ccncc1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245199 1121631954 /nfs/dbraw/zinc/63/19/54/1121631954.db2.gz FWFBRPUSPNILAP-OAHLLOKOSA-N 0 3 289.382 3.804 20 30 CHEDHN CSc1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000619622871 1128999352 /nfs/dbraw/zinc/99/93/52/1128999352.db2.gz HRUHYNMGCNDEJN-LBPRGKRZSA-N 0 3 283.400 3.526 20 30 CHEDHN N#Cc1cc(Nc2ccnc(C3CC3)c2)ccc1F ZINC001176614681 1121660741 /nfs/dbraw/zinc/66/07/41/1121660741.db2.gz TZGLDHZAUYYOFW-UHFFFAOYSA-N 0 3 253.280 3.713 20 30 CHEDHN C=CCN(CCOc1ccccc1)Cc1ccc(OC)cc1 ZINC000614351509 1121674843 /nfs/dbraw/zinc/67/48/43/1121674843.db2.gz BODQWDLKYWVBKF-UHFFFAOYSA-N 0 3 297.398 3.762 20 30 CHEDHN C=CC[C@@H]1CCN1Cc1ccc(C(C)C)nc1CC ZINC001176814466 1121695820 /nfs/dbraw/zinc/69/58/20/1121695820.db2.gz NJNLTPSCYILUSH-OAHLLOKOSA-N 0 3 258.409 3.918 20 30 CHEDHN C=C(CC)CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667153 1121730648 /nfs/dbraw/zinc/73/06/48/1121730648.db2.gz MLYAALGAQREBCI-UHFFFAOYSA-N 0 3 262.784 3.790 20 30 CHEDHN COC[C@H](NCC(C)(C)CC#N)c1cccc(Cl)c1 ZINC000414169374 1121833481 /nfs/dbraw/zinc/83/34/81/1121833481.db2.gz RQWHWMQDGDSHCF-AWEZNQCLSA-N 0 3 280.799 3.557 20 30 CHEDHN C#CCOc1cccc(Cl)c1CNC1CC(C)(C)C1 ZINC001179205670 1121858366 /nfs/dbraw/zinc/85/83/66/1121858366.db2.gz URUCHKVQBMSNLQ-UHFFFAOYSA-N 0 3 277.795 3.630 20 30 CHEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1c1ccsc1 ZINC000345209883 1121860123 /nfs/dbraw/zinc/86/01/23/1121860123.db2.gz PPTVYIIZOOEMSS-MRXNPFEDSA-N 0 3 298.411 3.836 20 30 CHEDHN N#CCC1(CNCc2cc(Cl)cc(Cl)c2)CC1 ZINC000430036629 1121970766 /nfs/dbraw/zinc/97/07/66/1121970766.db2.gz PMRVRBCLAGQCKP-UHFFFAOYSA-N 0 3 269.175 3.777 20 30 CHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccsc1 ZINC000618802994 1121995834 /nfs/dbraw/zinc/99/58/34/1121995834.db2.gz GKGLWZKKSAENCD-MEDUHNTESA-N 0 3 268.385 3.958 20 30 CHEDHN C=CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001204297715 1122057578 /nfs/dbraw/zinc/05/75/78/1122057578.db2.gz OEBDAKVRESOCPL-GASCZTMLSA-N 0 3 293.357 3.729 20 30 CHEDHN C=CCN(CCOc1ccccc1F)Cc1ccccc1 ZINC000502335599 1122075233 /nfs/dbraw/zinc/07/52/33/1122075233.db2.gz WORIIFVELKWELG-UHFFFAOYSA-N 0 3 285.362 3.893 20 30 CHEDHN Cc1cc(C)c(CNCc2ccc(C#N)s2)cc1C ZINC000421355065 1122099410 /nfs/dbraw/zinc/09/94/10/1122099410.db2.gz TXVPJSVQKZKVTG-UHFFFAOYSA-N 0 3 270.401 3.835 20 30 CHEDHN C=C(C)CNC(=O)[C@H](c1ccccc1)N(CC)CCCC ZINC001182237966 1122125645 /nfs/dbraw/zinc/12/56/45/1122125645.db2.gz YTWCHUWAODEZOQ-KRWDZBQOSA-N 0 3 288.435 3.542 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000035046132 1122157283 /nfs/dbraw/zinc/15/72/83/1122157283.db2.gz CJOGBHRAWIRWBQ-INIZCTEOSA-N 0 3 280.396 3.885 20 30 CHEDHN C=CC(C)(C)CCC[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001183671862 1122234037 /nfs/dbraw/zinc/23/40/37/1122234037.db2.gz IXHPQDAKESNALO-UHFFFAOYSA-N 0 3 277.408 3.791 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000577815974 1122381891 /nfs/dbraw/zinc/38/18/91/1122381891.db2.gz DXCKUVAQYIQLLO-ZLDLUXBVSA-N 0 3 262.784 3.725 20 30 CHEDHN N=C(NC1CCCCCCC1)c1ccc(Cl)cn1 ZINC001258234279 1129052133 /nfs/dbraw/zinc/05/21/33/1129052133.db2.gz QEXCRMPYHBWIBH-UHFFFAOYSA-N 0 3 265.788 3.553 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(Br)c(F)c1 ZINC000336736314 1122423938 /nfs/dbraw/zinc/42/39/38/1122423938.db2.gz IRHHYYQHSMBYNU-SECBINFHSA-N 0 3 285.160 3.543 20 30 CHEDHN C=CCO[C@H]1CCN(C/C=C/c2c(C)cc(C)cc2C)C1 ZINC001204961796 1122459498 /nfs/dbraw/zinc/45/94/98/1122459498.db2.gz UWILBLPHZPUZFR-DKFQHHCZSA-N 0 3 285.431 3.902 20 30 CHEDHN CC#CCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000514975663 1122467696 /nfs/dbraw/zinc/46/76/96/1122467696.db2.gz GAWWBWFQBCFBSH-IBGZPJMESA-N 0 3 279.383 3.592 20 30 CHEDHN C=CC[C@H]1N(Cc2ccc(F)nc2)CCCC1(C)C ZINC000775180561 1122469552 /nfs/dbraw/zinc/46/95/52/1122469552.db2.gz ZZJCPDLOLYYEAA-CQSZACIVSA-N 0 3 262.372 3.787 20 30 CHEDHN C#C[C@@H](C)N(C)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000775184023 1122471466 /nfs/dbraw/zinc/47/14/66/1122471466.db2.gz SOBYFLWWHRDNAB-OAHLLOKOSA-N 0 3 280.371 3.636 20 30 CHEDHN C#CCN(C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCc2ccccc21 ZINC001190530044 1122542098 /nfs/dbraw/zinc/54/20/98/1122542098.db2.gz ZBAPLJFOGJHCTB-PKOBYXMFSA-N 0 3 297.442 3.957 20 30 CHEDHN C=C(C)CN(CC)Cc1ccccc1OC(F)F ZINC000505848634 1122560889 /nfs/dbraw/zinc/56/08/89/1122560889.db2.gz WSLGCIXIUAHDTC-UHFFFAOYSA-N 0 3 255.308 3.686 20 30 CHEDHN Cc1ccc(CN(C)Cc2cccc(C#N)c2)c(C)c1 ZINC000506016215 1122625831 /nfs/dbraw/zinc/62/58/31/1122625831.db2.gz GHZXDVQSBAVYNE-UHFFFAOYSA-N 0 3 264.372 3.807 20 30 CHEDHN C=C(C)CCN(CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC001192021905 1122627134 /nfs/dbraw/zinc/62/71/34/1122627134.db2.gz FNRJUFRADSFLER-UHFFFAOYSA-N 0 3 294.826 3.957 20 30 CHEDHN CCN(CCC#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437586167 1122645022 /nfs/dbraw/zinc/64/50/22/1122645022.db2.gz XRKPIYXFYBHGDX-SJORKVTESA-N 0 3 256.393 3.732 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(C3CC3)cc2F)C1 ZINC000425941708 1122670877 /nfs/dbraw/zinc/67/08/77/1122670877.db2.gz CPVMYHWECYHIDP-BLLLJJGKSA-N 0 3 272.367 3.875 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426038979 1122706086 /nfs/dbraw/zinc/70/60/86/1122706086.db2.gz IBSKULHBORUCKV-AWEZNQCLSA-N 0 3 273.376 3.985 20 30 CHEDHN CS[C@@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439444189 1122779674 /nfs/dbraw/zinc/77/96/74/1122779674.db2.gz AUVMSVRCDYZWDX-CQSZACIVSA-N 0 3 294.851 3.929 20 30 CHEDHN CC1(C)[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000426451919 1122796551 /nfs/dbraw/zinc/79/65/51/1122796551.db2.gz VYMRQZTYFJIQMI-GASCZTMLSA-N 0 3 293.332 3.645 20 30 CHEDHN CC1(C)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426473184 1122802690 /nfs/dbraw/zinc/80/26/90/1122802690.db2.gz WKUQXGABJLVEDY-UHFFFAOYSA-N 0 3 281.321 3.789 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cccc(OCCCC#N)c1 ZINC000426551833 1122819117 /nfs/dbraw/zinc/81/91/17/1122819117.db2.gz HUMSYMNEWUKBCT-KRWDZBQOSA-N 0 3 284.403 3.910 20 30 CHEDHN CCCCCCCCCOC(=O)NC[C@@H]1CCCN1C ZINC001194919482 1122821989 /nfs/dbraw/zinc/82/19/89/1122821989.db2.gz DSZYDDDOMFAIKA-HNNXBMFYSA-N 0 3 284.444 3.557 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1C ZINC000426572228 1122825247 /nfs/dbraw/zinc/82/52/47/1122825247.db2.gz ABUDYEKYCINDHL-HNNXBMFYSA-N 0 3 275.392 3.553 20 30 CHEDHN C=CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000775656661 1122871062 /nfs/dbraw/zinc/87/10/62/1122871062.db2.gz LZVVKECQSCFUEQ-UHFFFAOYSA-N 0 3 298.224 3.860 20 30 CHEDHN C=CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000775656661 1122871067 /nfs/dbraw/zinc/87/10/67/1122871067.db2.gz LZVVKECQSCFUEQ-UHFFFAOYSA-N 0 3 298.224 3.860 20 30 CHEDHN Clc1cccc(C#CCN2CCC23CCCC3)c1 ZINC001195843385 1122893819 /nfs/dbraw/zinc/89/38/19/1122893819.db2.gz NOMSXWRFMYQTIX-UHFFFAOYSA-N 0 3 259.780 3.710 20 30 CHEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2cc[nH]c21 ZINC000507221574 1122940080 /nfs/dbraw/zinc/94/00/80/1122940080.db2.gz LRMGQAYDNFBMRB-UHFFFAOYSA-N 0 3 275.355 3.672 20 30 CHEDHN C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1[O-] ZINC001197005054 1122942395 /nfs/dbraw/zinc/94/23/95/1122942395.db2.gz XGZZANBYYAZRBM-CYBMUJFWSA-N 0 3 285.774 3.748 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1cccc(C#N)c1 ZINC000507272323 1122945320 /nfs/dbraw/zinc/94/53/20/1122945320.db2.gz LCKNYBPVJLKCSZ-OLZOCXBDSA-N 0 3 290.370 3.846 20 30 CHEDHN CC[C@H]1[C@H](C)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000775785140 1122968713 /nfs/dbraw/zinc/96/87/13/1122968713.db2.gz KADLTXXYHXWVPJ-DOMZBBRYSA-N 0 3 292.810 3.863 20 30 CHEDHN N#Cc1ccccc1CN1CC[C@H](Cc2ccccc2)C1 ZINC000507664814 1122982928 /nfs/dbraw/zinc/98/29/28/1122982928.db2.gz HZWSVMWQHUNSEG-QGZVFWFLSA-N 0 3 276.383 3.623 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)c(F)c1 ZINC000507673213 1122984385 /nfs/dbraw/zinc/98/43/85/1122984385.db2.gz NNAFHCLCLQYBLJ-QGZVFWFLSA-N 0 3 294.373 3.762 20 30 CHEDHN CCCCCCCCN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC001198239497 1122984639 /nfs/dbraw/zinc/98/46/39/1122984639.db2.gz DLOHKKOUXKORRH-SJORKVTESA-N 0 3 283.456 3.617 20 30 CHEDHN C=CCC[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC001198414446 1122990530 /nfs/dbraw/zinc/99/05/30/1122990530.db2.gz RUAWZLJQTBQEAJ-HNNXBMFYSA-N 0 3 258.340 3.628 20 30 CHEDHN C#C[C@H]1CCCCN1Cc1ccc(OCC(F)(F)F)cc1 ZINC001198526838 1122996304 /nfs/dbraw/zinc/99/63/04/1122996304.db2.gz VKHOHAUQSRXIPH-AWEZNQCLSA-N 0 3 297.320 3.615 20 30 CHEDHN CS[C@H]1CCCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000441126811 1123060708 /nfs/dbraw/zinc/06/07/08/1123060708.db2.gz PMUUKHZQLCLHQZ-INIZCTEOSA-N 0 3 293.863 3.909 20 30 CHEDHN Clc1ccc([C@H]2CCCC2=Nn2cnnc2)cc1Cl ZINC000776177685 1123102500 /nfs/dbraw/zinc/10/25/00/1123102500.db2.gz SZRVKBCNAWTVPM-SNVBAGLBSA-N 0 3 295.173 3.757 20 30 CHEDHN N#Cc1c(CN2CCC[C@H]3CCC[C@H]32)cn2ccccc12 ZINC000441432719 1123116810 /nfs/dbraw/zinc/11/68/10/1123116810.db2.gz FGWCDDHYOIOFND-RHSMWYFYSA-N 0 3 279.387 3.575 20 30 CHEDHN N#CCCC[C@H](N[C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000340448404 1123145880 /nfs/dbraw/zinc/14/58/80/1123145880.db2.gz SMPKXCGBSNDLQM-DLBZAZTESA-N 0 3 294.402 3.812 20 30 CHEDHN CC(C)CN(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000507783238 1123184194 /nfs/dbraw/zinc/18/41/94/1123184194.db2.gz ATJZIAUYIYVMFG-UHFFFAOYSA-N 0 3 268.360 3.809 20 30 CHEDHN CCC#C[C@@H](C)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000665197583 1123226843 /nfs/dbraw/zinc/22/68/43/1123226843.db2.gz GGWHJGRJKRSXSH-AEFFLSMTSA-N 0 3 283.415 3.642 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1coc(C2CC2)n1 ZINC000850342001 1123254730 /nfs/dbraw/zinc/25/47/30/1123254730.db2.gz PCLUKACVIAEBNE-SWLSCSKDSA-N 0 3 260.381 3.777 20 30 CHEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850369089 1123258257 /nfs/dbraw/zinc/25/82/57/1123258257.db2.gz HJPVOCYJZDWQSJ-RTBURBONSA-N 0 3 295.382 3.519 20 30 CHEDHN C#Cc1ccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1 ZINC000850395604 1123262897 /nfs/dbraw/zinc/26/28/97/1123262897.db2.gz IYDOLHQAYUXTSW-UXHICEINSA-N 0 3 293.410 3.516 20 30 CHEDHN CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000850487499 1123274371 /nfs/dbraw/zinc/27/43/71/1123274371.db2.gz HHCGXAPIHSHWSV-QGZVFWFLSA-N 0 3 280.371 3.547 20 30 CHEDHN C=CCCN[C@H](c1nc(Br)cs1)C1CC1 ZINC000850502979 1123276361 /nfs/dbraw/zinc/27/63/61/1123276361.db2.gz YHNOAOXMMYDXTI-JTQLQIEISA-N 0 3 287.226 3.522 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(F)c1C#N ZINC000428211381 1123282410 /nfs/dbraw/zinc/28/24/10/1123282410.db2.gz XEEMSENEKDJENW-XNJGSVPQSA-N 0 3 272.367 3.850 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1OC(=O)C1CCN(C2CC2)CC1 ZINC000851143292 1123328066 /nfs/dbraw/zinc/32/80/66/1123328066.db2.gz KKTJLEIQDVWBDG-RHSMWYFYSA-N 0 3 291.435 3.539 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@H](CC(F)(F)F)c2ccccc2)C1 ZINC000442714496 1123335211 /nfs/dbraw/zinc/33/52/11/1123335211.db2.gz LQKKXZKLOIRKDO-MRVWCRGKSA-N 0 3 282.309 3.962 20 30 CHEDHN CC(C)(NCc1ccnc(Cl)c1)c1cccc(C#N)c1 ZINC000852354760 1123404772 /nfs/dbraw/zinc/40/47/72/1123404772.db2.gz UDMJTBPHBZNTIQ-UHFFFAOYSA-N 0 3 285.778 3.632 20 30 CHEDHN CC[C@H]1CN(CCCCC(C)(C)C#N)C[C@H](CC)O1 ZINC000398539615 1123410172 /nfs/dbraw/zinc/41/01/72/1123410172.db2.gz UIRGKNPINIJMBN-GJZGRUSLSA-N 0 3 266.429 3.596 20 30 CHEDHN CSCc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000895313984 1123453325 /nfs/dbraw/zinc/45/33/25/1123453325.db2.gz PAKFWRNEZWCFPP-AWEZNQCLSA-N 0 3 274.433 3.675 20 30 CHEDHN Cc1cc(C#N)ccc1CN1Cc2ccccc2[C@H](C)C1 ZINC000776789436 1123506357 /nfs/dbraw/zinc/50/63/57/1123506357.db2.gz IZCBQAPYHKXPEO-OAHLLOKOSA-N 0 3 276.383 3.986 20 30 CHEDHN C=CCc1cc(C[N@H+](C)C2CCCC2)c([O-])c(OC)c1 ZINC000194572088 1129134929 /nfs/dbraw/zinc/13/49/29/1129134929.db2.gz NZHCQMSWWWJYSY-UHFFFAOYSA-N 0 3 275.392 3.504 20 30 CHEDHN C=CCc1cc(C[N@@H+](C)C2CCCC2)c([O-])c(OC)c1 ZINC000194572088 1129134931 /nfs/dbraw/zinc/13/49/31/1129134931.db2.gz NZHCQMSWWWJYSY-UHFFFAOYSA-N 0 3 275.392 3.504 20 30 CHEDHN C=CCN(CC=C)Cc1cc(C)c2ncccc2c1 ZINC000346205120 1123672413 /nfs/dbraw/zinc/67/24/13/1123672413.db2.gz LECBSSRYJIQCIV-UHFFFAOYSA-N 0 3 252.361 3.717 20 30 CHEDHN Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)cc2C)n1 ZINC000186259069 1123820176 /nfs/dbraw/zinc/82/01/76/1123820176.db2.gz ZPWFSYCHVHERNK-LJQANCHMSA-N 0 3 291.398 3.907 20 30 CHEDHN C#CCN(CCc1csc(C)n1)[C@H]1CCc2ccccc21 ZINC000119427608 1123864184 /nfs/dbraw/zinc/86/41/84/1123864184.db2.gz VCKNYDOVNXEPFL-SFHVURJKSA-N 0 3 296.439 3.617 20 30 CHEDHN C#CCN(CCc1ccccc1)Cc1ccc(C)s1 ZINC000302847956 1123986633 /nfs/dbraw/zinc/98/66/33/1123986633.db2.gz MVUFCPVSCNQPGQ-UHFFFAOYSA-N 0 3 269.413 3.734 20 30 CHEDHN C[C@@H]1CN(Cc2cccc(F)c2C#N)[C@@H]2CCCC[C@H]21 ZINC000428363226 1124017157 /nfs/dbraw/zinc/01/71/57/1124017157.db2.gz PZURCCCFCLMDNY-HACGYAERSA-N 0 3 272.367 3.708 20 30 CHEDHN CCOC(=O)CN(CCCCC(C)(C)C#N)C1CCCC1 ZINC000444651536 1124048635 /nfs/dbraw/zinc/04/86/35/1124048635.db2.gz HFWFHRVDZZBORV-UHFFFAOYSA-N 0 3 294.439 3.514 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866305659 1124048992 /nfs/dbraw/zinc/04/89/92/1124048992.db2.gz JHCIAXMATDGKRZ-NSHDSACASA-N 0 3 294.782 3.725 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1nn(C)cc1C(F)F ZINC000866566772 1124083471 /nfs/dbraw/zinc/08/34/71/1124083471.db2.gz GZFATNPLCWMAMQ-LLVKDONJSA-N 0 3 271.355 3.582 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1nn(C)cc1C(F)F ZINC000866568476 1124084013 /nfs/dbraw/zinc/08/40/13/1124084013.db2.gz VSGQAXIXIVKLOW-LBPRGKRZSA-N 0 3 285.382 3.972 20 30 CHEDHN N#Cc1cc(CN2CCCC3(CCCC3)C2)ccc1F ZINC000445857166 1124104221 /nfs/dbraw/zinc/10/42/21/1124104221.db2.gz XAJXFUDXFKCQKU-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN CCc1cc(CN2CCC(C(F)F)CC2)ccc1C#N ZINC001238779935 1131245668 /nfs/dbraw/zinc/24/56/68/1131245668.db2.gz ZEHVLMAKTATHSH-UHFFFAOYSA-N 0 3 278.346 3.598 20 30 CHEDHN CC(C)C1(C)CCN(Cc2cc(C#N)cs2)CC1 ZINC000428476162 1124460002 /nfs/dbraw/zinc/46/00/02/1124460002.db2.gz QCUZZNFOKHQXSB-UHFFFAOYSA-N 0 3 262.422 3.878 20 30 CHEDHN C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc([O-])c1F ZINC000872069661 1124673503 /nfs/dbraw/zinc/67/35/03/1124673503.db2.gz RTLHCJADGUFQQR-HIFPTAJRSA-N 0 3 276.355 3.512 20 30 CHEDHN C=C(C)[C@H](N[C@H]1CSC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000449252188 1124676772 /nfs/dbraw/zinc/67/67/72/1124676772.db2.gz UGDBCTFQQHFVLJ-LKTVYLICSA-N 0 3 283.387 3.923 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000449239996 1124678756 /nfs/dbraw/zinc/67/87/56/1124678756.db2.gz XJDPHCJRWRRSDG-GDBMZVCRSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000872111591 1124686575 /nfs/dbraw/zinc/68/65/75/1124686575.db2.gz CJSODJLNDDPCQE-NXEZZACHSA-N 0 3 256.802 3.631 20 30 CHEDHN CC[C@H](NCc1ccnc(C#N)c1)c1cc(C)ccc1C ZINC000528801425 1124806025 /nfs/dbraw/zinc/80/60/25/1124806025.db2.gz NLYCTWIPROBJNH-SFHVURJKSA-N 0 3 279.387 3.811 20 30 CHEDHN CC1=CC[C@@](C)(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123476796 1131315086 /nfs/dbraw/zinc/31/50/86/1131315086.db2.gz OXJHFISLAZEWJY-BLLLJJGKSA-N 0 3 290.313 3.673 20 30 CHEDHN C[C@@H](CCc1ccccc1)NCc1cc(C#N)cnc1Cl ZINC000876894095 1124988792 /nfs/dbraw/zinc/98/87/92/1124988792.db2.gz LQBGRJQINYNMQE-ZDUSSCGKSA-N 0 3 299.805 3.718 20 30 CHEDHN Cc1ccc(C[C@H]2CCCN2CC2(C#N)CCC2)cc1 ZINC000450404806 1125013502 /nfs/dbraw/zinc/01/35/02/1125013502.db2.gz PAXMWVKEAUHOKP-QGZVFWFLSA-N 0 3 268.404 3.696 20 30 CHEDHN N#CCCN(CC/C=C/c1ccccc1)CC1CC1 ZINC000450464276 1125035193 /nfs/dbraw/zinc/03/51/93/1125035193.db2.gz XJUMMRMAFKGZQW-RUDMXATFSA-N 0 3 254.377 3.716 20 30 CHEDHN C[C@H](NCc1cc(C#N)cnc1Cl)[C@]12C[C@H]1CCCC2 ZINC000877686003 1125065070 /nfs/dbraw/zinc/06/50/70/1125065070.db2.gz JSOJSRLKIQTQBZ-PEYYIBSZSA-N 0 3 289.810 3.665 20 30 CHEDHN C=C1CCN(C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878086788 1125118162 /nfs/dbraw/zinc/11/81/62/1125118162.db2.gz BMYGGEHDHDKJSV-SJORKVTESA-N 0 3 257.377 3.559 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1C[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000878154571 1125126359 /nfs/dbraw/zinc/12/63/59/1125126359.db2.gz ZDAZNUQIIIWSFI-GPMSIDNRSA-N 0 3 298.430 3.547 20 30 CHEDHN CC[C@]1(C)CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878188829 1125129354 /nfs/dbraw/zinc/12/93/54/1125129354.db2.gz UUKWTCMLNURIGD-RTBURBONSA-N 0 3 298.430 3.549 20 30 CHEDHN CC1(C#N)CCN(C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878389717 1125147614 /nfs/dbraw/zinc/14/76/14/1125147614.db2.gz RBSIUZCWXPFTES-QZTJIDSGSA-N 0 3 298.430 3.922 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1CC(C)(C)C[C@@H]1C)c1ccccc1 ZINC000878712524 1125175370 /nfs/dbraw/zinc/17/53/70/1125175370.db2.gz YYCOEHCBSDHFQA-HNAYVOBHSA-N 0 3 298.430 3.547 20 30 CHEDHN N#Cc1ccccc1NC1CCN(Cc2ccsc2)CC1 ZINC000878961809 1125187432 /nfs/dbraw/zinc/18/74/32/1125187432.db2.gz IIIDRNWOCGRMIU-UHFFFAOYSA-N 0 3 297.427 3.696 20 30 CHEDHN C=CC[C@H](C)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000878993690 1125189986 /nfs/dbraw/zinc/18/99/86/1125189986.db2.gz IFNVTIFGQODBSE-JOYOIKCWSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000878993691 1125190536 /nfs/dbraw/zinc/19/05/36/1125190536.db2.gz IFNVTIFGQODBSE-SKDRFNHKSA-N 0 3 274.191 3.581 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(C(F)(F)F)nc1 ZINC000880103706 1125250703 /nfs/dbraw/zinc/25/07/03/1125250703.db2.gz YKKPHFKPPLIEHN-JTQLQIEISA-N 0 3 285.313 3.691 20 30 CHEDHN C[C@@H](c1ccco1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000131108146 1125373338 /nfs/dbraw/zinc/37/33/38/1125373338.db2.gz CRYURTNPVREITK-HNNXBMFYSA-N 0 3 297.402 3.822 20 30 CHEDHN C=CCC[C@@H](NCc1nc(C(C)C)cs1)[C@@H]1CCCO1 ZINC000883198800 1125376476 /nfs/dbraw/zinc/37/64/76/1125376476.db2.gz QAIMBPDJKFPPPG-HIFRSBDPSA-N 0 3 294.464 3.870 20 30 CHEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nnc(C)s1 ZINC000883215712 1125378482 /nfs/dbraw/zinc/37/84/82/1125378482.db2.gz DWCUKXQEIRFZFL-HNNXBMFYSA-N 0 3 287.432 3.514 20 30 CHEDHN CN(CCOC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000610859911 1125384341 /nfs/dbraw/zinc/38/43/41/1125384341.db2.gz UXCGASJKVPMAII-UHFFFAOYSA-N 0 3 288.435 3.735 20 30 CHEDHN C#CC1(NCc2cc3cc(Cl)cnc3o2)CCCC1 ZINC000883361382 1125402039 /nfs/dbraw/zinc/40/20/39/1125402039.db2.gz BMKCZHJMBIIYBD-UHFFFAOYSA-N 0 3 274.751 3.517 20 30 CHEDHN CCN(Cc1cccnc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171146011 1125404415 /nfs/dbraw/zinc/40/44/15/1125404415.db2.gz WIVWUMYPHYAFCW-AWEZNQCLSA-N 0 3 265.360 3.536 20 30 CHEDHN C=CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000041515995 1125433632 /nfs/dbraw/zinc/43/36/32/1125433632.db2.gz SEBOUWORFVNJAX-CQSZACIVSA-N 0 3 298.367 3.506 20 30 CHEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000041515995 1125433635 /nfs/dbraw/zinc/43/36/35/1125433635.db2.gz SEBOUWORFVNJAX-CQSZACIVSA-N 0 3 298.367 3.506 20 30 CHEDHN CCS[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC000125140555 1125445661 /nfs/dbraw/zinc/44/56/61/1125445661.db2.gz RTHJMSLSANCTEK-CYBMUJFWSA-N 0 3 280.462 3.727 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2)s1 ZINC000037748315 1129264239 /nfs/dbraw/zinc/26/42/39/1129264239.db2.gz CGAQXRUWZMAQLB-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN C#CCOc1ccc(CN[C@H](CC=C)c2ccncc2)cc1 ZINC000734509684 1129310163 /nfs/dbraw/zinc/31/01/63/1129310163.db2.gz OUIHXMQVQLANKU-LJQANCHMSA-N 0 3 292.382 3.501 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)C(C)(C)C ZINC000734709797 1129319197 /nfs/dbraw/zinc/31/91/97/1129319197.db2.gz ZVBNQLCBGZOGEI-QWRGUYRKSA-N 0 3 270.332 3.686 20 30 CHEDHN C=CCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000735492940 1129349784 /nfs/dbraw/zinc/34/97/84/1129349784.db2.gz LAJXPQJPQJYWJH-VYDXJSESSA-N 0 3 259.393 3.803 20 30 CHEDHN C=CCCCCCN(C)C[C@@H](O)c1c(F)cccc1F ZINC000739932206 1129409780 /nfs/dbraw/zinc/40/97/80/1129409780.db2.gz YMRLTHLUJQUILZ-OAHLLOKOSA-N 0 3 283.362 3.676 20 30 CHEDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(C#N)cc1 ZINC000094617287 1129448222 /nfs/dbraw/zinc/44/82/22/1129448222.db2.gz LDKMPULCBKVMLQ-RYUDHWBXSA-N 0 3 284.334 3.815 20 30 CHEDHN C#CCN1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000741794851 1129454051 /nfs/dbraw/zinc/45/40/51/1129454051.db2.gz MHCKPGKVBNKXJU-UHFFFAOYSA-N 0 3 298.213 3.717 20 30 CHEDHN N#CCOc1ccc(CNCc2ccc3occc3c2)cc1 ZINC000796288104 1129515517 /nfs/dbraw/zinc/51/55/17/1129515517.db2.gz DUEUUTNGYUMMFS-UHFFFAOYSA-N 0 3 292.338 3.625 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@@H](O)c1ccc(C)cc1 ZINC000743258200 1129516587 /nfs/dbraw/zinc/51/65/87/1129516587.db2.gz NAVXINBWPNLDHU-QGZVFWFLSA-N 0 3 287.428 3.778 20 30 CHEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N(CCCC)C2 ZINC001276346115 1129541154 /nfs/dbraw/zinc/54/11/54/1129541154.db2.gz LYNMOARVZQXFHQ-SFHVURJKSA-N 0 3 292.467 3.600 20 30 CHEDHN N#CCCCN(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796362853 1129548500 /nfs/dbraw/zinc/54/85/00/1129548500.db2.gz YXQMLBHQBCTOQP-IBGZPJMESA-N 0 3 294.398 3.526 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)COC2 ZINC000822525276 1131384982 /nfs/dbraw/zinc/38/49/82/1131384982.db2.gz DBQMZDMXPKTRLF-AWEZNQCLSA-N 0 3 292.382 3.781 20 30 CHEDHN C#CCN(CC)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000746138619 1129627890 /nfs/dbraw/zinc/62/78/90/1129627890.db2.gz CSJBJZVGRPBXQF-LLVKDONJSA-N 0 3 255.283 3.722 20 30 CHEDHN CC(C)C[C@H](Cc1ccccc1)NCC1(C#N)CCC1 ZINC001169051857 1129692513 /nfs/dbraw/zinc/69/25/13/1129692513.db2.gz ZNHMBOKKVNTSOV-QGZVFWFLSA-N 0 3 270.420 3.927 20 30 CHEDHN CC(C)C[C@@H](Cc1ccccc1)NCC1(C#N)CCC1 ZINC001169051855 1129692601 /nfs/dbraw/zinc/69/26/01/1129692601.db2.gz ZNHMBOKKVNTSOV-KRWDZBQOSA-N 0 3 270.420 3.927 20 30 CHEDHN CCC#C[C@@H](C)N1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000796419614 1129702109 /nfs/dbraw/zinc/70/21/09/1129702109.db2.gz SPNKKFARIAQKOU-VQIMIIECSA-N 0 3 285.431 3.542 20 30 CHEDHN CCCCCCCCCN(C)Cc1ccnc(C)n1 ZINC000796456491 1129730011 /nfs/dbraw/zinc/73/00/11/1129730011.db2.gz OJXXJXKKZVXRCZ-UHFFFAOYSA-N 0 3 263.429 3.967 20 30 CHEDHN C#CCCCN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000766922180 1129769886 /nfs/dbraw/zinc/76/98/86/1129769886.db2.gz KDLKKOWAJVIOBU-KRWDZBQOSA-N 0 3 284.790 3.827 20 30 CHEDHN C#CCCCN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000766916084 1129770104 /nfs/dbraw/zinc/77/01/04/1129770104.db2.gz BHNRPCMERLEANE-KRWDZBQOSA-N 0 3 281.403 3.514 20 30 CHEDHN COc1ccc(CN2CC[C@H](C3CCCCC3)C2)c(C#N)c1 ZINC001137704501 1131404312 /nfs/dbraw/zinc/40/43/12/1131404312.db2.gz IWSVRVBEACPEFY-KRWDZBQOSA-N 0 3 298.430 3.969 20 30 CHEDHN C#CCN(CC)Cc1ccc(-c2ccccc2OC)cc1 ZINC000769111980 1129891590 /nfs/dbraw/zinc/89/15/90/1129891590.db2.gz UVWIGPQYWPVBAU-UHFFFAOYSA-N 0 3 279.383 3.817 20 30 CHEDHN C=CC[N@@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000771638674 1129987294 /nfs/dbraw/zinc/98/72/94/1129987294.db2.gz DIQSYMLPPBPEME-UHFFFAOYSA-N 0 3 253.345 3.696 20 30 CHEDHN C=CC[N@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000771638674 1129987299 /nfs/dbraw/zinc/98/72/99/1129987299.db2.gz DIQSYMLPPBPEME-UHFFFAOYSA-N 0 3 253.345 3.696 20 30 CHEDHN C[C@H]1CC(=O)C=C(c2ccc(C3=NCCC3)cc2)C1 ZINC001242739492 1129993115 /nfs/dbraw/zinc/99/31/15/1129993115.db2.gz NPEONJWZLBODIY-GFCCVEGCSA-N 0 3 253.345 3.652 20 30 CHEDHN CC[C@@H](NCc1ccc(Cl)nc1)c1cccc(C#N)c1 ZINC000902755063 1130051738 /nfs/dbraw/zinc/05/17/38/1130051738.db2.gz KLUANXIASYHRRQ-OAHLLOKOSA-N 0 3 285.778 3.848 20 30 CHEDHN C#CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccccc21 ZINC000772600748 1130033138 /nfs/dbraw/zinc/03/31/38/1130033138.db2.gz YOPFHSKQUFKXGT-GOSISDBHSA-N 0 3 277.367 3.515 20 30 CHEDHN C#CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccccc21 ZINC000772600748 1130033145 /nfs/dbraw/zinc/03/31/45/1130033145.db2.gz YOPFHSKQUFKXGT-GOSISDBHSA-N 0 3 277.367 3.515 20 30 CHEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cnc1Cl ZINC000785617102 1130046196 /nfs/dbraw/zinc/04/61/96/1130046196.db2.gz JVMLXPNYMOTFMX-MRXNPFEDSA-N 0 3 297.789 3.692 20 30 CHEDHN CC[C@H](NCc1scnc1C)c1cccc(C#N)c1 ZINC000902794838 1130058583 /nfs/dbraw/zinc/05/85/83/1130058583.db2.gz YSAYCWHRUJMNRJ-AWEZNQCLSA-N 0 3 271.389 3.564 20 30 CHEDHN CC[C@@H](NCc1scnc1C)c1cccc(C#N)c1 ZINC000902794839 1130058777 /nfs/dbraw/zinc/05/87/77/1130058777.db2.gz YSAYCWHRUJMNRJ-CQSZACIVSA-N 0 3 271.389 3.564 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc(C#N)c1 ZINC000902889228 1130078689 /nfs/dbraw/zinc/07/86/89/1130078689.db2.gz FBIZCFLJPWNJLO-SWLSCSKDSA-N 0 3 253.349 3.688 20 30 CHEDHN CC[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000903054337 1130106034 /nfs/dbraw/zinc/10/60/34/1130106034.db2.gz WXMUKIOAKIBGMC-MOPGFXCFSA-N 0 3 292.382 3.992 20 30 CHEDHN CC(C)(C#N)CN[C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000903100511 1130112475 /nfs/dbraw/zinc/11/24/75/1130112475.db2.gz QPIJKJCKHUWXTI-LSDHHAIUSA-N 0 3 256.393 3.708 20 30 CHEDHN CC(C)(C#N)CN[C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000903100510 1130112621 /nfs/dbraw/zinc/11/26/21/1130112621.db2.gz QPIJKJCKHUWXTI-HUUCEWRRSA-N 0 3 256.393 3.708 20 30 CHEDHN CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000787025527 1130126096 /nfs/dbraw/zinc/12/60/96/1130126096.db2.gz HBPUPMLMLIPELW-MSOLQXFVSA-N 0 3 292.382 3.992 20 30 CHEDHN CC1(C)Nc2ccccc2[C@H]1NCc1cccc(C#N)c1 ZINC000903947701 1130211428 /nfs/dbraw/zinc/21/14/28/1130211428.db2.gz FOEAZXHTBARMER-QGZVFWFLSA-N 0 3 277.371 3.593 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2F)C2CC2)C1 ZINC001254646031 1130270953 /nfs/dbraw/zinc/27/09/53/1130270953.db2.gz JDNMWVFJPBCWBE-PVXIVEMSSA-N 0 3 258.340 3.559 20 30 CHEDHN N#CC(C(=O)C=Cc1cccnc1)c1nccc2ccccc21 ZINC000792102917 1130429043 /nfs/dbraw/zinc/42/90/43/1130429043.db2.gz KAVKWFUYDMZKKK-ZPUOCTKUSA-N 0 3 299.333 3.519 20 30 CHEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000678745370 1130449808 /nfs/dbraw/zinc/44/98/08/1130449808.db2.gz QEPAJDLKHALTFS-GJZGRUSLSA-N 0 3 289.419 3.935 20 30 CHEDHN COCC#CCN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000678793718 1130456163 /nfs/dbraw/zinc/45/61/63/1130456163.db2.gz KURGTNKIXHBRRO-OAHLLOKOSA-N 0 3 299.336 3.642 20 30 CHEDHN CN(CCC#N)c1ccc(C=NNCC2(C)CCCC2)cc1 ZINC000793085094 1130517513 /nfs/dbraw/zinc/51/75/13/1130517513.db2.gz YDXPAMPSNDRDEZ-UHFFFAOYSA-N 0 3 298.434 3.540 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000679360281 1130521871 /nfs/dbraw/zinc/52/18/71/1130521871.db2.gz OPRHMVMZRDKQFY-AWEZNQCLSA-N 0 3 277.408 3.880 20 30 CHEDHN C=CCOCCN[C@H]1CCSc2c(Cl)cccc21 ZINC000679576144 1130540648 /nfs/dbraw/zinc/54/06/48/1130540648.db2.gz INJRZCBJRIOOPX-ZDUSSCGKSA-N 0 3 283.824 3.669 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793389483 1130551822 /nfs/dbraw/zinc/55/18/22/1130551822.db2.gz ZKVHLQGHFMIKOI-CQSZACIVSA-N 0 3 263.381 3.625 20 30 CHEDHN CC(=NN[C@@H](C)c1ccccc1)c1ccc(N)cc1C ZINC000758115245 1130598208 /nfs/dbraw/zinc/59/82/08/1130598208.db2.gz BNBDWUPZTCWQBN-ZDUSSCGKSA-N 0 3 267.376 3.652 20 30 CHEDHN C#C[C@H](C)N(C)C/C(C)=C\c1ccccc1OC(F)F ZINC000811495965 1130612770 /nfs/dbraw/zinc/61/27/70/1130612770.db2.gz NHEZQELITFQUKD-UKVQZPPCSA-N 0 3 279.330 3.645 20 30 CHEDHN C#CCCCCNCc1c(Cl)cccc1OC(F)F ZINC000758496339 1130614916 /nfs/dbraw/zinc/61/49/16/1130614916.db2.gz CUSCCXKGFFKNNP-UHFFFAOYSA-N 0 3 287.737 3.835 20 30 CHEDHN C#C[C@@H](NC1CC(C(F)F)C1)c1ccc(Cl)cc1 ZINC000811517467 1130615465 /nfs/dbraw/zinc/61/54/65/1130615465.db2.gz TVOJVDOTBKOYND-KGPNIALWSA-N 0 3 269.722 3.648 20 30 CHEDHN C#C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000811507889 1130618777 /nfs/dbraw/zinc/61/87/77/1130618777.db2.gz ROWRJZSGNKXIIB-AWEZNQCLSA-N 0 3 294.320 3.715 20 30 CHEDHN C=C[C@@H](C#CC(C)(C)C)Oc1cccc2c1CCN(C)C2 ZINC001234425006 1130641988 /nfs/dbraw/zinc/64/19/88/1130641988.db2.gz UPYIKKCYQRLUQE-INIZCTEOSA-N 0 3 283.415 3.657 20 30 CHEDHN C#C[C@H](CCCCC)Oc1cccc2c1CCN(C)C2 ZINC001234420953 1130642047 /nfs/dbraw/zinc/64/20/47/1130642047.db2.gz YJUUDVOXJSFEAC-MRXNPFEDSA-N 0 3 271.404 3.635 20 30 CHEDHN C=CC[NH+](CC=C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234552617 1130655846 /nfs/dbraw/zinc/65/58/46/1130655846.db2.gz BXUBDWLMZMUSGK-UHFFFAOYSA-N 0 3 283.371 3.728 20 30 CHEDHN Cc1cccc(C(C)C)c1N=NC1C[C@@H](C)N(C)C1 ZINC000812232320 1130674658 /nfs/dbraw/zinc/67/46/58/1130674658.db2.gz DGVVSDBGADILEY-CYBMUJFWSA-N 0 3 259.397 3.610 20 30 CHEDHN C=CC[N@@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993901 1130700552 /nfs/dbraw/zinc/70/05/52/1130700552.db2.gz CKYZIGDJKGRHIK-UHFFFAOYSA-N 0 3 253.345 3.677 20 30 CHEDHN C=CC[N@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993901 1130700557 /nfs/dbraw/zinc/70/05/57/1130700557.db2.gz CKYZIGDJKGRHIK-UHFFFAOYSA-N 0 3 253.345 3.677 20 30 CHEDHN C#C[C@@H](N[C@H](C)Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000812793177 1130716986 /nfs/dbraw/zinc/71/69/86/1130716986.db2.gz NSOOGZYIQJYRCZ-AUUYWEPGSA-N 0 3 297.373 3.729 20 30 CHEDHN C#C[C@@H](NC1CCC(C(F)F)CC1)c1ccc(F)cc1 ZINC000812793777 1130717811 /nfs/dbraw/zinc/71/78/11/1130717811.db2.gz DLPMPGCWSGZXLV-PESDSKBTSA-N 0 3 281.321 3.914 20 30 CHEDHN N#CCOc1ccc(Nc2ccnc(C3CCC3)c2)cc1 ZINC001212607246 1130726340 /nfs/dbraw/zinc/72/63/40/1130726340.db2.gz TZPYEFOLXUMNHH-UHFFFAOYSA-N 0 3 279.343 3.995 20 30 CHEDHN CCN(Cc1cccc(F)c1)Cc1ccccc1CC#N ZINC001235530339 1130752892 /nfs/dbraw/zinc/75/28/92/1130752892.db2.gz UVEQNFMSTUIZOB-UHFFFAOYSA-N 0 3 282.362 3.914 20 30 CHEDHN CC(C)c1ccccc1CNCc1cccc(C#N)c1 ZINC000782539497 1130782443 /nfs/dbraw/zinc/78/24/43/1130782443.db2.gz KIYQOXAKSXDXLJ-UHFFFAOYSA-N 0 3 264.372 3.971 20 30 CHEDHN C=CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000783530240 1130835847 /nfs/dbraw/zinc/83/58/47/1130835847.db2.gz XHJKKIJMJLICNV-UHFFFAOYSA-N 0 3 268.744 3.645 20 30 CHEDHN C=CCOC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000784835972 1130919981 /nfs/dbraw/zinc/91/99/81/1130919981.db2.gz MUGNKTVIRCXMDX-UHFFFAOYSA-N 0 3 295.382 3.661 20 30 CHEDHN CCC(=NNCCCc1ccccc1)c1cccc(N)c1 ZINC000814837912 1130921819 /nfs/dbraw/zinc/92/18/19/1130921819.db2.gz QJJMJWZGEXJJQE-UHFFFAOYSA-N 0 3 281.403 3.605 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1ccccn1 ZINC000796784438 1130932124 /nfs/dbraw/zinc/93/21/24/1130932124.db2.gz UXBZBFSUTGWGBN-JONQDZQNSA-N 0 3 282.387 3.864 20 30 CHEDHN Cc1ccc(N2CCN([C@@H]3CC[C@H](C#N)C3)[C@@H](C)C2)cc1C ZINC000815057601 1130952060 /nfs/dbraw/zinc/95/20/60/1130952060.db2.gz VWVDZRHNTQPURW-JENIJYKNSA-N 0 3 297.446 3.506 20 30 CHEDHN C=C1CCN(C[C@H](O)c2cccc3ccccc32)CC1 ZINC000815042225 1130955154 /nfs/dbraw/zinc/95/51/54/1130955154.db2.gz OBFPQGWGPUJWFB-SFHVURJKSA-N 0 3 267.372 3.525 20 30 CHEDHN CC1(C#N)CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236833913 1131019545 /nfs/dbraw/zinc/01/95/45/1131019545.db2.gz RCNSGLCZPXQHQX-UHFFFAOYSA-N 0 3 280.371 3.671 20 30 CHEDHN Cn1cc(CN2CCC[C@H]3CCC[C@H]32)c2cc(C#N)ccc21 ZINC001237473713 1131102516 /nfs/dbraw/zinc/10/25/16/1131102516.db2.gz RVIQIPYOKJKOKT-CRAIPNDOSA-N 0 3 293.414 3.814 20 30 CHEDHN Cn1cc(CN2CC[C@H]3CCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001237468453 1131102586 /nfs/dbraw/zinc/10/25/86/1131102586.db2.gz NAAQYJRNMFZMLS-CVEARBPZSA-N 0 3 293.414 3.672 20 30 CHEDHN C[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@H]1C ZINC001237757182 1131139376 /nfs/dbraw/zinc/13/93/76/1131139376.db2.gz NYTYOGUEHTWGMF-RYUDHWBXSA-N 0 3 262.784 3.832 20 30 CHEDHN C=CCN(Cc1ccc(F)c(C)n1)C1CCCCC1 ZINC001237824479 1131143880 /nfs/dbraw/zinc/14/38/80/1131143880.db2.gz OZLUGZAGBLADRV-UHFFFAOYSA-N 0 3 262.372 3.850 20 30 CHEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC001116620608 1131157726 /nfs/dbraw/zinc/15/77/26/1131157726.db2.gz LBTQKJWHNYZLMP-DOTOQJQBSA-N 0 3 291.435 3.963 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001116912133 1131170125 /nfs/dbraw/zinc/17/01/25/1131170125.db2.gz ZWIFCJYZIYUTBA-HOSYDEDBSA-N 0 3 298.308 3.770 20 30 CHEDHN C[C@H]1CCCCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238194267 1131179087 /nfs/dbraw/zinc/17/90/87/1131179087.db2.gz LLOLCZXIASYRAG-LBPRGKRZSA-N 0 3 262.784 3.976 20 30 CHEDHN CC[C@@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238192629 1131179292 /nfs/dbraw/zinc/17/92/92/1131179292.db2.gz UOGLEJRXIUUBNP-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(Cl)c(C)c2C)C1 ZINC001238218111 1131183363 /nfs/dbraw/zinc/18/33/63/1131183363.db2.gz JGXCAARVFJEYMN-CQSZACIVSA-N 0 3 261.796 3.802 20 30 CHEDHN C=CCN(Cc1cnc(F)c(OC(C)C)c1)C(C)(C)C ZINC001238594971 1131219855 /nfs/dbraw/zinc/21/98/55/1131219855.db2.gz MIJLQOIEARUSNN-UHFFFAOYSA-N 0 3 280.387 3.794 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2nc(-c3ccccc3)oc2C)C1 ZINC000829769450 1131432362 /nfs/dbraw/zinc/43/23/62/1131432362.db2.gz VXHCOCSESWPAJJ-MRXNPFEDSA-N 0 3 294.398 3.885 20 30 CHEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CC)CCCCC1 ZINC001136755158 1131435007 /nfs/dbraw/zinc/43/50/07/1131435007.db2.gz NZPNFSDQYDPICX-INIZCTEOSA-N 0 3 292.467 3.504 20 30 CHEDHN N#CC[C@@H]1CCCN([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171051811 1131461966 /nfs/dbraw/zinc/46/19/66/1131461966.db2.gz XDMLFKXYFMQBBJ-ZFWWWQNUSA-N 0 3 288.822 3.823 20 30 CHEDHN C=CCN(Cc1cncc(Br)c1C)C(C)C ZINC000824581025 1131477409 /nfs/dbraw/zinc/47/74/09/1131477409.db2.gz OAGTWQDUZPNHGH-UHFFFAOYSA-N 0 3 283.213 3.549 20 30 CHEDHN C=C(C)CCNCc1c(C)nn(CCCC)c1Cl ZINC000824743446 1131480193 /nfs/dbraw/zinc/48/01/93/1131480193.db2.gz CBWWHSRHGJZJKE-UHFFFAOYSA-N 0 3 269.820 3.701 20 30 CHEDHN Cc1ccc2c(CN(C)Cc3ccc(C#N)cc3)c[nH]c2c1 ZINC001136972997 1131494090 /nfs/dbraw/zinc/49/40/90/1131494090.db2.gz IQVHUGWSFSGKTN-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN C=CCN(Cc1cc(F)ccc1OC)C(C)(C)C ZINC001138375484 1131496105 /nfs/dbraw/zinc/49/61/05/1131496105.db2.gz AIOXCOBNMMPXQK-UHFFFAOYSA-N 0 3 251.345 3.621 20 30 CHEDHN CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)c(C)c1 ZINC001138434392 1131504652 /nfs/dbraw/zinc/50/46/52/1131504652.db2.gz RMBGZOYDWKARTB-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN C#CCOc1ccc(CN(C)Cc2cccc(Cl)c2)cc1 ZINC001138558767 1131520929 /nfs/dbraw/zinc/52/09/29/1131520929.db2.gz IVUQQDOQQHCTQK-UHFFFAOYSA-N 0 3 299.801 3.984 20 30 CHEDHN C#CCOc1ccc(CN(C)Cc2ccc(Cl)cc2)cc1 ZINC001138559639 1131521157 /nfs/dbraw/zinc/52/11/57/1131521157.db2.gz ZEADOZFNURXXON-UHFFFAOYSA-N 0 3 299.801 3.984 20 30 CHEDHN C=CCCCCN(C)Cc1cncn1Cc1ccccc1 ZINC001138563927 1131521679 /nfs/dbraw/zinc/52/16/79/1131521679.db2.gz BNXMXIZBAKECFX-UHFFFAOYSA-N 0 3 283.419 3.720 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCCC[C@](C)(F)C2)c1[O-] ZINC001138624352 1131527535 /nfs/dbraw/zinc/52/75/35/1131527535.db2.gz FFJUYFPTTAXRAR-KRWDZBQOSA-N 0 3 277.383 3.835 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@](C)(F)C2)c1[O-] ZINC001138624352 1131527540 /nfs/dbraw/zinc/52/75/40/1131527540.db2.gz FFJUYFPTTAXRAR-KRWDZBQOSA-N 0 3 277.383 3.835 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1[O-] ZINC001138626092 1131528080 /nfs/dbraw/zinc/52/80/80/1131528080.db2.gz ZZYZTQPFPCVUPS-ZBFHGGJFSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1[O-] ZINC001138626092 1131528082 /nfs/dbraw/zinc/52/80/82/1131528082.db2.gz ZZYZTQPFPCVUPS-ZBFHGGJFSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCc3sccc3C2)c1[O-] ZINC001138627233 1131528770 /nfs/dbraw/zinc/52/87/70/1131528770.db2.gz ZZBOQMKRZLXUIT-UHFFFAOYSA-N 0 3 285.412 3.741 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCc3sccc3C2)c1[O-] ZINC001138627233 1131528772 /nfs/dbraw/zinc/52/87/72/1131528772.db2.gz ZZBOQMKRZLXUIT-UHFFFAOYSA-N 0 3 285.412 3.741 20 30 CHEDHN C=CCc1cccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1[O-] ZINC001138630447 1131529094 /nfs/dbraw/zinc/52/90/94/1131529094.db2.gz WNWOGOHQAVLKST-UHFFFAOYSA-N 0 3 289.419 3.510 20 30 CHEDHN SC1CCN(Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001138833895 1131554798 /nfs/dbraw/zinc/55/47/98/1131554798.db2.gz OCBFNBMZEDYZLR-UHFFFAOYSA-N 0 3 280.824 3.716 20 30 CHEDHN CCCCOc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC001138953982 1131563083 /nfs/dbraw/zinc/56/30/83/1131563083.db2.gz OGTKHHNVBQPNFV-INIZCTEOSA-N 0 3 286.419 3.991 20 30 CHEDHN CCCOc1ccccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139001356 1131569684 /nfs/dbraw/zinc/56/96/84/1131569684.db2.gz DCMRDIZVNOKQQY-XGBSXSJOSA-N 0 3 284.403 3.742 20 30 CHEDHN C=CCOc1ccccc1CN1CCC(C)(F)CC1 ZINC001139027301 1131573481 /nfs/dbraw/zinc/57/34/81/1131573481.db2.gz UITFUDXWFOGVMA-UHFFFAOYSA-N 0 3 263.356 3.575 20 30 CHEDHN CCn1ccc2ccc(CN3CCC[C@H](CC#N)C3)cc21 ZINC001139123977 1131584637 /nfs/dbraw/zinc/58/46/37/1131584637.db2.gz GXUOUCKBWWPIBY-OAHLLOKOSA-N 0 3 281.403 3.787 20 30 CHEDHN N#CC1(CN[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171147197 1131592364 /nfs/dbraw/zinc/59/23/64/1131592364.db2.gz DBJWZMIFKNQJRR-GFCCVEGCSA-N 0 3 295.213 3.744 20 30 CHEDHN N#Cc1ccnc(-c2ccc(CN3CCC[C@@H]3CF)cc2)c1 ZINC001139404481 1131606760 /nfs/dbraw/zinc/60/67/60/1131606760.db2.gz JKXWQJAIIAWVHY-QGZVFWFLSA-N 0 3 295.361 3.554 20 30 CHEDHN N#Cc1cccc2c(CN3CCC[C@H]4CCC[C@@H]43)c[nH]c21 ZINC001139706192 1131629855 /nfs/dbraw/zinc/62/98/55/1131629855.db2.gz OBZHUMCBKZDBEZ-DYVFJYSZSA-N 0 3 279.387 3.804 20 30 CHEDHN N#Cc1cccc2c(CN3CCC[C@H](C(F)F)C3)c[nH]c21 ZINC001139703387 1131630310 /nfs/dbraw/zinc/63/03/10/1131630310.db2.gz PMQKXBVAGDJWMW-LBPRGKRZSA-N 0 3 289.329 3.517 20 30 CHEDHN N#Cc1cccc2c(CN3CC[C@@H]4CCC[C@H]4C3)c[nH]c21 ZINC001139704625 1131630380 /nfs/dbraw/zinc/63/03/80/1131630380.db2.gz WUUHLQVRTFEUEO-ZFWWWQNUSA-N 0 3 279.387 3.662 20 30 CHEDHN CN(Cc1cccs1)Cc1c[nH]c2c1cccc2C#N ZINC001139702876 1131630422 /nfs/dbraw/zinc/63/04/22/1131630422.db2.gz BWCUSPRQZPNQFQ-UHFFFAOYSA-N 0 3 281.384 3.733 20 30 CHEDHN C=CCn1cc(CN(Cc2ccccc2)C(C)(C)C)cn1 ZINC001139766910 1131635522 /nfs/dbraw/zinc/63/55/22/1131635522.db2.gz YKSPMTMQKMCGPF-UHFFFAOYSA-N 0 3 283.419 3.870 20 30 CHEDHN C#Cc1ccc(CN(C)Cc2ccc(Cl)cc2)cc1 ZINC001144573920 1131661306 /nfs/dbraw/zinc/66/13/06/1131661306.db2.gz UDDBQGCAEBDMGF-UHFFFAOYSA-N 0 3 269.775 3.953 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CC(c4ccccc4)C3)c2c1 ZINC001140115251 1131665038 /nfs/dbraw/zinc/66/50/38/1131665038.db2.gz RQXSVZCYDBGASH-UHFFFAOYSA-N 0 3 287.366 3.639 20 30 CHEDHN CN(Cc1c[nH]c2ccc(C#N)cc12)Cc1ccc(F)cc1 ZINC001140112926 1131665436 /nfs/dbraw/zinc/66/54/36/1131665436.db2.gz XSMBWWMTQJRKKR-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@@H]4CCC[C@H]43)c2c1 ZINC001140114873 1131665827 /nfs/dbraw/zinc/66/58/27/1131665827.db2.gz DNOLAUSBEMJGSU-KBXCAEBGSA-N 0 3 279.387 3.804 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N1Cc2ccccc2C1 ZINC001171204514 1131678283 /nfs/dbraw/zinc/67/82/83/1131678283.db2.gz YNDOUJVKXGFIRI-AWEZNQCLSA-N 0 3 262.356 3.505 20 30 CHEDHN C=CCOc1ccccc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000846107973 1131686660 /nfs/dbraw/zinc/68/66/60/1131686660.db2.gz MQFZZSBPLYLKTB-MRXNPFEDSA-N 0 3 293.357 3.873 20 30 CHEDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(C#N)c1 ZINC000834612466 1131687916 /nfs/dbraw/zinc/68/79/16/1131687916.db2.gz TYJMRSKRHUPJDN-LRDDRELGSA-N 0 3 278.355 3.602 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccsc1 ZINC000834688682 1131693974 /nfs/dbraw/zinc/69/39/74/1131693974.db2.gz DMSYETQLESWCKJ-OAHLLOKOSA-N 0 3 286.400 3.869 20 30 CHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccsc1 ZINC000834688681 1131694009 /nfs/dbraw/zinc/69/40/09/1131694009.db2.gz DMSYETQLESWCKJ-HNNXBMFYSA-N 0 3 286.400 3.869 20 30 CHEDHN C=CC[C@@H](CC)N[C@H](C)c1nc(Br)cs1 ZINC000834790650 1131705375 /nfs/dbraw/zinc/70/53/75/1131705375.db2.gz UDNQYXQRQAVYPK-RKDXNWHRSA-N 0 3 289.242 3.911 20 30 CHEDHN C=CC[C@H](CC)N[C@@H](C)c1nc(Br)cs1 ZINC000834790648 1131705766 /nfs/dbraw/zinc/70/57/66/1131705766.db2.gz UDNQYXQRQAVYPK-IUCAKERBSA-N 0 3 289.242 3.911 20 30 CHEDHN C=CCCCCCCCCC(=O)N[C@]1(C)CCCN(C)C1 ZINC001144798746 1131708834 /nfs/dbraw/zinc/70/88/34/1131708834.db2.gz DSWUKSXZRXAEPT-GOSISDBHSA-N 0 3 294.483 3.894 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000834902540 1131725644 /nfs/dbraw/zinc/72/56/44/1131725644.db2.gz IQHMDBIOJPARID-SFHVURJKSA-N 0 3 277.367 3.541 20 30 CHEDHN C=CCN(Cc1nc(Cl)ccc1C)C(C)(C)C ZINC001140446428 1131740510 /nfs/dbraw/zinc/74/05/10/1131740510.db2.gz JBINJDDVOSKGRK-UHFFFAOYSA-N 0 3 252.789 3.830 20 30 CHEDHN C[C@@H]1CCC[C@]1(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835076433 1131768579 /nfs/dbraw/zinc/76/85/79/1131768579.db2.gz IYHPMZIQJYVFKC-QFSBIZTOSA-N 0 3 282.343 3.830 20 30 CHEDHN CN(Cc1ccc(C#N)nc1)Cc1cccc2ccccc21 ZINC001140543948 1131787290 /nfs/dbraw/zinc/78/72/90/1131787290.db2.gz WGQOKWITVHHYDP-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN C=C(Br)CNC(C)(C)Cc1ccc(C)cc1 ZINC001171298310 1131812626 /nfs/dbraw/zinc/81/26/26/1131812626.db2.gz SPNINYLDKROBJD-UHFFFAOYSA-N 0 3 282.225 3.814 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CC3CCC(CC3)C2)c1 ZINC001140604043 1131824806 /nfs/dbraw/zinc/82/48/06/1131824806.db2.gz NRTBNYGKHKUFNR-UHFFFAOYSA-N 0 3 274.795 3.834 20 30 CHEDHN CC1(C)C[C@H](N[C@H]2CC[C@H](C#N)C2)c2ccc(F)cc2O1 ZINC000348186109 1131901681 /nfs/dbraw/zinc/90/16/81/1131901681.db2.gz LVBYCEMMUBUTEU-WHOFXGATSA-N 0 3 288.366 3.710 20 30 CHEDHN CC(C)[C@H]1CCCN1Cc1cccc(C#N)c1Cl ZINC001140813068 1131932174 /nfs/dbraw/zinc/93/21/74/1131932174.db2.gz VPARJIQSMVBPEG-CQSZACIVSA-N 0 3 262.784 3.832 20 30 CHEDHN CCCCCCCCNCc1cnn(C)c1Cl ZINC000712455301 1131954732 /nfs/dbraw/zinc/95/47/32/1131954732.db2.gz LFCBGHSVWLPALS-UHFFFAOYSA-N 0 3 257.809 3.524 20 30 CHEDHN CN(C)c1ccc(CN2CCC(CC#N)CC2)c(Cl)c1 ZINC001140925021 1131965420 /nfs/dbraw/zinc/96/54/20/1131965420.db2.gz YEXDWSBLUMWQFU-UHFFFAOYSA-N 0 3 291.826 3.532 20 30 CHEDHN C=C(C)C[C@H](Oc1ccc2c(c1)CCN(C)C2)C(=C)C ZINC001228945291 1131983172 /nfs/dbraw/zinc/98/31/72/1131983172.db2.gz SXUKCWFFWNZHPQ-SFHVURJKSA-N 0 3 271.404 3.964 20 30 CHEDHN CCCN(Cc1sc(N)c(C#N)c1Cl)[C@H](C)CC ZINC001141109540 1132022506 /nfs/dbraw/zinc/02/25/06/1132022506.db2.gz TXMXJDREEUFMQQ-SECBINFHSA-N 0 3 285.844 3.866 20 30 CHEDHN C#CC[C@@H]1CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC001171490478 1132038421 /nfs/dbraw/zinc/03/84/21/1132038421.db2.gz OUYBSKBHEIHDIB-CHWSQXEVSA-N 0 3 263.331 3.761 20 30 CHEDHN Cc1cccc2c1CC[C@@H](NCC1(C#N)CCCC1)C2 ZINC001171549079 1132051077 /nfs/dbraw/zinc/05/10/77/1132051077.db2.gz JDCNZJVSFLHGMA-MRXNPFEDSA-N 0 3 268.404 3.526 20 30 CHEDHN Cc1ccc(CC[C@@H](C)NCC2(C#N)CCCC2)cc1 ZINC001171656137 1132068851 /nfs/dbraw/zinc/06/88/51/1132068851.db2.gz UUSHSVKJUWMETK-MRXNPFEDSA-N 0 3 270.420 3.990 20 30 CHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@@H]1c1nccs1 ZINC001172319265 1132158310 /nfs/dbraw/zinc/15/83/10/1132158310.db2.gz LWBXRPKLYWCHCC-XJKSGUPXSA-N 0 3 297.427 3.783 20 30 CHEDHN N#CCOc1ccc(CNCc2ccc(C3CC3)cc2)cc1 ZINC000838943213 1132161414 /nfs/dbraw/zinc/16/14/14/1132161414.db2.gz YHKQTJGVCHPARV-UHFFFAOYSA-N 0 3 292.382 3.756 20 30 CHEDHN CC[C@@H](C)OCC[C@@H](C)N(CCC#N)C1CCCC1 ZINC001172338838 1132176950 /nfs/dbraw/zinc/17/69/50/1132176950.db2.gz CXYRUPGIHQXNKA-HUUCEWRRSA-N 0 3 266.429 3.738 20 30 CHEDHN CCC1(CC)CN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000839133009 1132182586 /nfs/dbraw/zinc/18/25/86/1132182586.db2.gz UEACLARLWCODQM-CQSZACIVSA-N 0 3 272.392 3.599 20 30 CHEDHN CCCCCCC[C@H](CC)N1CCN(C(=O)C2CC2)CC1 ZINC001172354505 1132184485 /nfs/dbraw/zinc/18/44/85/1132184485.db2.gz IIZDEVOPXATNKI-KRWDZBQOSA-N 0 3 294.483 3.680 20 30 CHEDHN C[C@@H](CCCC#N)NCc1cc(-c2ccccc2)on1 ZINC001172490180 1132247468 /nfs/dbraw/zinc/24/74/68/1132247468.db2.gz WZODHRFKXPWQLJ-ZDUSSCGKSA-N 0 3 269.348 3.514 20 30 CHEDHN CCCCCCCC[C@H](CC)N1CC2(C1)CS(=O)C2 ZINC001172504443 1132253640 /nfs/dbraw/zinc/25/36/40/1132253640.db2.gz FMPOWXAJVQTBPJ-HNNXBMFYSA-N 0 3 285.497 3.580 20 30 CHEDHN CCCCCCCC[C@H](CC)N1CC[C@@H](O)[C@@H](F)C1 ZINC001172504548 1132254175 /nfs/dbraw/zinc/25/41/75/1132254175.db2.gz GFNAMFRLMGWGDZ-HRCADAONSA-N 0 3 273.436 3.920 20 30 CHEDHN CCCCCCCCN(C)Cc1cccc(C(=O)OC)n1 ZINC001231426480 1132293567 /nfs/dbraw/zinc/29/35/67/1132293567.db2.gz ZFUYVKIYNGDOGQ-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN C#CCN(C)Cc1ccc(Br)c2ccccc12 ZINC001142054175 1132310312 /nfs/dbraw/zinc/31/03/12/1132310312.db2.gz OUMBJFRSOPAAFF-UHFFFAOYSA-N 0 3 288.188 3.667 20 30 CHEDHN C#Cc1cccc(CN2CCC(Oc3ccccc3)CC2)c1 ZINC001231655634 1132336083 /nfs/dbraw/zinc/33/60/83/1132336083.db2.gz AESRRJPLVNASPV-UHFFFAOYSA-N 0 3 291.394 3.711 20 30 CHEDHN C#Cc1cccc(CN2Cc3ccccc3C[C@@H]2C)c1 ZINC001231661774 1132338032 /nfs/dbraw/zinc/33/80/32/1132338032.db2.gz ZDRJSSXAGAMSRP-HNNXBMFYSA-N 0 3 261.368 3.615 20 30 CHEDHN COC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232115385 1132423439 /nfs/dbraw/zinc/42/34/39/1132423439.db2.gz NHWWMBIHGOMFGM-OAHLLOKOSA-N 0 3 292.810 3.601 20 30 CHEDHN C[C@H]([NH2+]C1CCC(CC#N)CC1)c1ccccc1[O-] ZINC001173329946 1132463453 /nfs/dbraw/zinc/46/34/53/1132463453.db2.gz PVCGWTRTIZQXPM-HSBZDZAISA-N 0 3 258.365 3.515 20 30 CHEDHN N#CCC1CCC(N2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001173331028 1132463469 /nfs/dbraw/zinc/46/34/69/1132463469.db2.gz JYJGPQCFWFMNMA-BPCQOVAHSA-N 0 3 274.330 3.528 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cc(C)ccc2OC(C)C)C1 ZINC001232399089 1132467386 /nfs/dbraw/zinc/46/73/86/1132467386.db2.gz SGWFHGPKLIRHNT-INIZCTEOSA-N 0 3 271.404 3.627 20 30 CHEDHN C[C@H](N)c1nc2ccccc2n1C1CCC(C)(C#N)CC1 ZINC001173587104 1132495474 /nfs/dbraw/zinc/49/54/74/1132495474.db2.gz LRQXYZUEMXCKAI-POZPTJLLSA-N 0 3 282.391 3.701 20 30 CHEDHN Cc1ccn2cc(CN(C)C3CCC(C)(C#N)CC3)nc2c1 ZINC001173597573 1132498860 /nfs/dbraw/zinc/49/88/60/1132498860.db2.gz YLXOXXWCGPLALC-UHFFFAOYSA-N 0 3 296.418 3.547 20 30 CHEDHN N#C[C@H]1CCCN(Cc2ccc(C(F)F)cc2)CC1 ZINC001143252255 1132524224 /nfs/dbraw/zinc/52/42/24/1132524224.db2.gz WZDSJICAUJBPAD-LBPRGKRZSA-N 0 3 264.319 3.750 20 30 CHEDHN C=CCN(Cc1cc(OC)c(C)cc1OC)C(C)(C)C ZINC001232833634 1132529283 /nfs/dbraw/zinc/52/92/83/1132529283.db2.gz AZJZZWASXUVWGL-UHFFFAOYSA-N 0 3 277.408 3.799 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232889594 1132537521 /nfs/dbraw/zinc/53/75/21/1132537521.db2.gz IAWOOADZGFXPJM-HNNXBMFYSA-N 0 3 294.373 3.733 20 30 CHEDHN Cc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)c(C#N)c1 ZINC001232966071 1132550772 /nfs/dbraw/zinc/55/07/72/1132550772.db2.gz FEINKJSFHOTGML-CVEARBPZSA-N 0 3 268.404 3.879 20 30 CHEDHN Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)c(C#N)c1 ZINC001232966207 1132552666 /nfs/dbraw/zinc/55/26/66/1132552666.db2.gz HOXVRUGNCIPFLX-GOSISDBHSA-N 0 3 290.410 3.931 20 30 CHEDHN CCCCCCCN(C)Cc1cc(F)cnc1C ZINC001232988433 1132559134 /nfs/dbraw/zinc/55/91/34/1132559134.db2.gz AGGRQQHIDIHXKC-UHFFFAOYSA-N 0 3 252.377 3.931 20 30 CHEDHN Cc1ccc2c(c1)CN(Cc1ccc(C#N)cc1C)CC2 ZINC001233080584 1132569368 /nfs/dbraw/zinc/56/93/68/1132569368.db2.gz OSPIUJYGPYIZNC-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN CCN(Cc1cccc(OC)c1)Cc1ccc(C#N)cc1C ZINC001233082361 1132571401 /nfs/dbraw/zinc/57/14/01/1132571401.db2.gz JYIROFHVJKOHOD-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN Cc1ccc(Cl)cc1CN1CCC(S)CC1 ZINC001233250788 1132588524 /nfs/dbraw/zinc/58/85/24/1132588524.db2.gz ZRJJKWNYXDQRHJ-UHFFFAOYSA-N 0 3 255.814 3.543 20 30 CHEDHN COc1cc(C#N)c(F)cc1Nc1ccccc1CN(C)C ZINC001173931411 1132644645 /nfs/dbraw/zinc/64/46/45/1132644645.db2.gz ZVGGXQPIFYAHGR-UHFFFAOYSA-N 0 3 299.349 3.511 20 30 CHEDHN CSc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001204141126 1132843670 /nfs/dbraw/zinc/84/36/70/1132843670.db2.gz ICRFNICPDPVHAL-QKDCVEJESA-N 0 3 272.417 3.675 20 30 CHEDHN SCCCNc1nc(N2CCCC2)cc2ccccc21 ZINC001159871483 1132918525 /nfs/dbraw/zinc/91/85/25/1132918525.db2.gz GTWLCCIIYNCPLP-UHFFFAOYSA-N 0 3 287.432 3.567 20 30 CHEDHN C=C(C)CNc1cccc(CN(CC)CC)c1F ZINC001163381700 1133147120 /nfs/dbraw/zinc/14/71/20/1133147120.db2.gz ZKKLOWUWAQXFKS-UHFFFAOYSA-N 0 3 250.361 3.656 20 30 CHEDHN Cc1cc(NC=Cc2ccc(C#N)cc2)c2ccccc2n1 ZINC001203299612 1133312188 /nfs/dbraw/zinc/31/21/88/1133312188.db2.gz RDIQLTCXLYGGHS-ZHACJKMWSA-N 0 3 285.350 3.920 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CC(F)(F)C3)CC2)cc1 ZINC001203899914 1133382413 /nfs/dbraw/zinc/38/24/13/1133382413.db2.gz GVVOJAMSYQUPLN-UHFFFAOYSA-N 0 3 276.330 3.570 20 30 CHEDHN CN(Cc1c[nH]c2ccccc12)Cc1cccc(C#N)c1 ZINC001204046341 1133403719 /nfs/dbraw/zinc/40/37/19/1133403719.db2.gz QNJFQPKPSHIHBG-UHFFFAOYSA-N 0 3 275.355 3.672 20 30 CHEDHN Cc1cccc([C@H]2CCCN2Cc2cccc(C#N)n2)c1C ZINC001204250834 1133424199 /nfs/dbraw/zinc/42/41/99/1133424199.db2.gz UFOSJRRSBJSDTD-LJQANCHMSA-N 0 3 291.398 3.907 20 30 CHEDHN C=C1CCN(Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC001204461687 1133449837 /nfs/dbraw/zinc/44/98/37/1133449837.db2.gz WELLYXYMZFMHIR-UHFFFAOYSA-N 0 3 269.310 3.943 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccc2c(c1)CCCC2 ZINC001205236955 1133549487 /nfs/dbraw/zinc/54/94/87/1133549487.db2.gz FGXCPUDUMURUFL-KBXCAEBGSA-N 0 3 270.420 3.778 20 30 CHEDHN Cc1cnccc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001205867622 1133624535 /nfs/dbraw/zinc/62/45/35/1133624535.db2.gz KQLRDLKKWDIBSB-UHFFFAOYSA-N 0 3 290.410 3.654 20 30 CHEDHN C#C[C@@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1 ZINC001205980612 1133638031 /nfs/dbraw/zinc/63/80/31/1133638031.db2.gz QCTXEYKAAFLAHL-GNCDUGFZSA-N 0 3 257.352 3.524 20 30 CHEDHN C=C(CC)CNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC001206286845 1133683643 /nfs/dbraw/zinc/68/36/43/1133683643.db2.gz MUQGXXFHFYNZED-UHFFFAOYSA-N 0 3 299.370 3.789 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2ccnn2-c2ccccc2)C1 ZINC001206599000 1133725449 /nfs/dbraw/zinc/72/54/49/1133725449.db2.gz YNPVLCNKQVDIDJ-INIZCTEOSA-N 0 3 281.403 3.660 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2cc(OC)ccc2F)C1 ZINC001206598579 1133726043 /nfs/dbraw/zinc/72/60/43/1133726043.db2.gz UHWQCEOXGQGXTD-ZDUSSCGKSA-N 0 3 263.356 3.622 20 30 CHEDHN CCCCCCCN(CC)Cc1ncccc1OC ZINC001206636869 1133730527 /nfs/dbraw/zinc/73/05/27/1133730527.db2.gz IFPFMHFBJMWFRP-UHFFFAOYSA-N 0 3 264.413 3.883 20 30 CHEDHN Cn1cc(CN2CC[C@@H](c3ccccc3Cl)C2)cc1C#N ZINC001207106001 1133766763 /nfs/dbraw/zinc/76/67/63/1133766763.db2.gz CGFWYVQUIJEKIC-CQSZACIVSA-N 0 3 299.805 3.540 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cccnc1C ZINC001207150800 1133771919 /nfs/dbraw/zinc/77/19/19/1133771919.db2.gz HXRIRWMZTWCQJR-UHFFFAOYSA-N 0 3 266.388 3.968 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H](CO)c1cc(F)ccc1F ZINC001207793191 1133847906 /nfs/dbraw/zinc/84/79/06/1133847906.db2.gz DGOUPTPNJMTDCS-WBMJQRKESA-N 0 3 283.362 3.723 20 30 CHEDHN C=CCCCCCCCCCN1C[C@@H](F)C[C@H](CO)C1 ZINC001207895950 1133857642 /nfs/dbraw/zinc/85/76/42/1133857642.db2.gz HAOMNKHMJDBVLK-IRXDYDNUSA-N 0 3 285.447 3.946 20 30 CHEDHN CCCCCCC/C=C/CN1CCC(N(C)C(C)=O)CC1 ZINC001208119335 1133878283 /nfs/dbraw/zinc/87/82/83/1133878283.db2.gz ZPAYINLSKAXPQB-ZHACJKMWSA-N 0 3 294.483 3.846 20 30 CHEDHN CCCCCCC/C=C/CN1CCC(NC(C)=O)CC1 ZINC001208120037 1133880725 /nfs/dbraw/zinc/88/07/25/1133880725.db2.gz KVKNAPGIODTJAL-MDZDMXLPSA-N 0 3 280.456 3.504 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN2CCC[C@@H]2c2cnccn2)CC1 ZINC001208176143 1133896121 /nfs/dbraw/zinc/89/61/21/1133896121.db2.gz BDBFXTXHQBAZHN-SJLPKXTDSA-N 0 3 283.419 3.916 20 30 CHEDHN CN(CCCc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 ZINC001208863088 1133955185 /nfs/dbraw/zinc/95/51/85/1133955185.db2.gz WLKJPHXIQJYTGC-UHFFFAOYSA-N 0 3 299.805 3.671 20 30 CHEDHN FC(F)(F)c1ccccc1CCN1CCC(S)CC1 ZINC001209283034 1134002160 /nfs/dbraw/zinc/00/21/60/1134002160.db2.gz MHEJDIDSFCRLJA-UHFFFAOYSA-N 0 3 289.366 3.642 20 30 CHEDHN C=CCCCCCN1CCc2nn(-c3ccccc3)cc2C1 ZINC001209428551 1134017203 /nfs/dbraw/zinc/01/72/03/1134017203.db2.gz LCSNSPMRMFUSKO-UHFFFAOYSA-N 0 3 295.430 3.977 20 30 CHEDHN C=CCCCCCN(C)Cc1cccc2c1OCO2 ZINC001209433391 1134018593 /nfs/dbraw/zinc/01/85/93/1134018593.db2.gz VMRLRSKGPBIGAL-UHFFFAOYSA-N 0 3 261.365 3.594 20 30 CHEDHN C=CCCCCCCN1CC2(C1)C[C@H](F)CS2 ZINC001209440181 1134021073 /nfs/dbraw/zinc/02/10/73/1134021073.db2.gz DJGTWQSIWAKGQD-ZDUSSCGKSA-N 0 3 257.418 3.652 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2cc[nH]c2c1 ZINC001209512551 1134032277 /nfs/dbraw/zinc/03/22/77/1134032277.db2.gz KZWYYLVKTVZKJE-UHFFFAOYSA-N 0 3 275.355 3.672 20 30 CHEDHN CC(C)(C)c1cc(Nc2ccc(C#N)cc2O)ccn1 ZINC001213168266 1134434619 /nfs/dbraw/zinc/43/46/19/1134434619.db2.gz BULNQQJGHQZYBU-UHFFFAOYSA-N 0 3 267.332 3.700 20 30 CHEDHN C[C@H](CCOCc1ccccc1)NCC1(C#N)CCCC1 ZINC000405181875 1134961437 /nfs/dbraw/zinc/96/14/37/1134961437.db2.gz YNCIOLSXIPFWDK-MRXNPFEDSA-N 0 3 286.419 3.655 20 30 CHEDHN Cc1cc(C#N)cc(Cl)c1O[C@H]1CNCc2ccccc21 ZINC001218486065 1135115666 /nfs/dbraw/zinc/11/56/66/1135115666.db2.gz NQYHMQNQUDGDQB-INIZCTEOSA-N 0 3 298.773 3.743 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001220288582 1135149226 /nfs/dbraw/zinc/14/92/26/1135149226.db2.gz BQNVDRNPWDYLJG-OAGGEKHMSA-N 0 3 294.483 3.781 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)NC1CCC(C)(C)CC1 ZINC001220588069 1135157327 /nfs/dbraw/zinc/15/73/27/1135157327.db2.gz PQDCJVAERNDWDL-HNNXBMFYSA-N 0 3 280.456 3.535 20 30 CHEDHN C=CCn1cc(-c2ccc3c(c2)C(C(C)C)=NCC3)cn1 ZINC001222405417 1135237663 /nfs/dbraw/zinc/23/76/63/1135237663.db2.gz JKFRMSHHLIJJCV-UHFFFAOYSA-N 0 3 279.387 3.737 20 30 CHEDHN C=CCCCCO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224335083 1135441052 /nfs/dbraw/zinc/44/10/52/1135441052.db2.gz KXKKKXNLIJSFSE-DLBZAZTESA-N 0 3 288.435 3.980 20 30 CHEDHN CCc1cnccc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000344296365 529682067 /nfs/dbraw/zinc/68/20/67/529682067.db2.gz LVHLHKFXZHIOPE-KBPBESRZSA-N 0 3 279.387 3.927 20 30 CHEDHN CCc1cnccc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000344309410 529682121 /nfs/dbraw/zinc/68/21/21/529682121.db2.gz ZFJOCQJDTSVYFH-KBPBESRZSA-N 0 3 279.387 3.927 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1nnc(C(C)C)[n-]1 ZINC000449207927 260294594 /nfs/dbraw/zinc/29/45/94/260294594.db2.gz RTPZGCTVTIMCMG-OLZOCXBDSA-N 0 3 264.417 3.714 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000449207927 260294596 /nfs/dbraw/zinc/29/45/96/260294596.db2.gz RTPZGCTVTIMCMG-OLZOCXBDSA-N 0 3 264.417 3.714 20 30 CHEDHN C=CCOCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000574586586 335032428 /nfs/dbraw/zinc/03/24/28/335032428.db2.gz FZKNBUVCCPNZBD-UHFFFAOYSA-N 0 3 293.357 3.647 20 30 CHEDHN CC(C)COc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000181407980 261896463 /nfs/dbraw/zinc/89/64/63/261896463.db2.gz OHBKMENPDOEHRD-CQSZACIVSA-N 0 3 260.381 3.676 20 30 CHEDHN C=CCCC[C@H](C)N[C@@H](CO)c1cccc(Cl)c1F ZINC000499941152 262246791 /nfs/dbraw/zinc/24/67/91/262246791.db2.gz CGUKFNMFBQPXLP-FZMZJTMJSA-N 0 3 285.790 3.847 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000335954148 533523477 /nfs/dbraw/zinc/52/34/77/533523477.db2.gz UWOONCYMQAYPSI-FZKQIMNGSA-N 0 3 277.371 3.681 20 30 CHEDHN Cc1cc(CN2C[C@H](C)C[C@@H]2c2cccnc2)ccc1C#N ZINC000347218023 533635243 /nfs/dbraw/zinc/63/52/43/533635243.db2.gz HPIAXWPTXIBXBQ-AUUYWEPGSA-N 0 3 291.398 3.845 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(F)cc1 ZINC000341756595 130024252 /nfs/dbraw/zinc/02/42/52/130024252.db2.gz FULNIJUBNDNOPV-SFHVURJKSA-N 0 3 280.346 3.865 20 30 CHEDHN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341756183 130024501 /nfs/dbraw/zinc/02/45/01/130024501.db2.gz CWJZFJLOUHAACV-IBGZPJMESA-N 0 3 292.382 3.734 20 30 CHEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccc(F)c1 ZINC000020147810 171035541 /nfs/dbraw/zinc/03/55/41/171035541.db2.gz SZAJSIKMVRHFGC-GFCCVEGCSA-N 0 3 254.308 3.548 20 30 CHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000037185915 173017094 /nfs/dbraw/zinc/01/70/94/173017094.db2.gz YJVGSOKUGMJXSW-KBPBESRZSA-N 0 3 250.345 3.970 20 30 CHEDHN Cc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000037230859 173049922 /nfs/dbraw/zinc/04/99/22/173049922.db2.gz ZMXAOCAKVYAGNP-AWEZNQCLSA-N 0 3 250.345 3.718 20 30 CHEDHN N#CC1(c2ccccc2)CCN(CCc2ccccc2)CC1 ZINC000040431138 174259993 /nfs/dbraw/zinc/25/99/93/174259993.db2.gz TUHMNJVZZYVPGP-UHFFFAOYSA-N 0 3 290.410 3.786 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1F ZINC000344878186 225189511 /nfs/dbraw/zinc/18/95/11/225189511.db2.gz PMVQHZBTESKHHF-CQSZACIVSA-N 0 3 296.345 3.514 20 30 CHEDHN Cc1cnc([C@H](C)NC2CCC(C)(C#N)CC2)s1 ZINC000334760160 225311223 /nfs/dbraw/zinc/31/12/23/225311223.db2.gz CAWKZOVLSJNFAK-DCBWTQNWSA-N 0 3 263.410 3.575 20 30 CHEDHN CC(C#N)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000335002087 225392553 /nfs/dbraw/zinc/39/25/53/225392553.db2.gz HMORJVCDOFBHGV-BDAKNGLRSA-N 0 3 297.185 3.599 20 30 CHEDHN C[C@H](NCCC[C@@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000354989235 227289544 /nfs/dbraw/zinc/28/95/44/227289544.db2.gz WTXGOIWRBQMBJC-ZFWWWQNUSA-N 0 3 290.382 3.697 20 30 CHEDHN N#Cc1csc(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000352843728 227317996 /nfs/dbraw/zinc/31/79/96/227317996.db2.gz CJBJXUYEYYNZPM-GJZGRUSLSA-N 0 3 297.427 3.516 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000352843729 227318458 /nfs/dbraw/zinc/31/84/58/227318458.db2.gz CJBJXUYEYYNZPM-HUUCEWRRSA-N 0 3 297.427 3.516 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc3ncccc3c1)CC2 ZINC000353624901 228133797 /nfs/dbraw/zinc/13/37/97/228133797.db2.gz GCTWMLSCRSBMFU-HXUWFJFHSA-N 0 3 299.377 3.884 20 30 CHEDHN N#C[C@H]1CC[C@H](N2Cc3ccccc3C3(CCC3)C2)C1 ZINC000336131099 228193462 /nfs/dbraw/zinc/19/34/62/228193462.db2.gz VLJSNOCTFOTOCR-HOCLYGCPSA-N 0 3 266.388 3.616 20 30 CHEDHN C=C(CC)CNCc1ccc(OC(F)F)c(OCC)c1 ZINC000313534898 260300738 /nfs/dbraw/zinc/30/07/38/260300738.db2.gz KVMJKYWQQBHTJS-UHFFFAOYSA-N 0 3 285.334 3.743 20 30 CHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000223522245 260305270 /nfs/dbraw/zinc/30/52/70/260305270.db2.gz HSWKHTRIRWLLHT-IUODEOHRSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(C)COCCN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000090451340 260359544 /nfs/dbraw/zinc/35/95/44/260359544.db2.gz DBKOFFAVOWKDNC-WCQYABFASA-N 0 3 283.462 3.856 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(OC)cc1 ZINC000518225313 260360266 /nfs/dbraw/zinc/36/02/66/260360266.db2.gz KEDMLGYTQJZTQP-UHFFFAOYSA-N 0 3 281.399 3.926 20 30 CHEDHN COc1ccc(C#N)cc1CN(CCC(C)C)C1CC1 ZINC000129192396 260384425 /nfs/dbraw/zinc/38/44/25/260384425.db2.gz BRIXSMSJUDORMG-UHFFFAOYSA-N 0 3 272.392 3.577 20 30 CHEDHN COc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000154334200 261090674 /nfs/dbraw/zinc/09/06/74/261090674.db2.gz GMOFOIBXYXWJOQ-FZKQIMNGSA-N 0 3 292.382 3.905 20 30 CHEDHN Cc1cccc2c1CC[C@@H]2NCc1cccc(C#N)c1 ZINC000105496821 261310368 /nfs/dbraw/zinc/31/03/68/261310368.db2.gz IEVRXPPAVAKTJT-SFHVURJKSA-N 0 3 262.356 3.644 20 30 CHEDHN CC[C@H](CC#N)NC[C@@H](C)c1cccc(Br)c1 ZINC000184085509 262008544 /nfs/dbraw/zinc/00/85/44/262008544.db2.gz QSNJBBVNDCGBTD-BXUZGUMPSA-N 0 3 295.224 3.834 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(OC3CCCC3)c2)C1 ZINC000185777221 262069947 /nfs/dbraw/zinc/06/99/47/262069947.db2.gz XRHZMBMBUGLKDY-GOEBONIOSA-N 0 3 299.418 3.575 20 30 CHEDHN COc1ccc(F)cc1[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000185784020 262070737 /nfs/dbraw/zinc/07/07/37/262070737.db2.gz FIWLADCLMTYART-DYEKYZERSA-N 0 3 276.355 3.567 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Br)cc2)C1 ZINC000185799799 262072135 /nfs/dbraw/zinc/07/21/35/262072135.db2.gz LOBDTWMQQPJCTK-JSGCOSHPSA-N 0 3 293.208 3.621 20 30 CHEDHN C[C@@H](NCCCCC#N)c1ccc(Br)cc1F ZINC000187950914 262146043 /nfs/dbraw/zinc/14/60/43/262146043.db2.gz BZRNFPDHXMGCOF-SNVBAGLBSA-N 0 3 299.187 3.933 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000192626559 262206681 /nfs/dbraw/zinc/20/66/81/262206681.db2.gz BXDBHWLMWUFMSS-QWHCGFSZSA-N 0 3 298.308 3.757 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054182493 262260109 /nfs/dbraw/zinc/26/01/09/262260109.db2.gz RBBKCJAFGYHEAJ-OCCSQVGLSA-N 0 3 296.361 3.891 20 30 CHEDHN CC[C@H](CC#N)NC1CCC(c2ccccc2)CC1 ZINC000054182247 262260217 /nfs/dbraw/zinc/26/02/17/262260217.db2.gz NXTWVBRZCXHIQS-AQFXKWCLSA-N 0 3 256.393 3.995 20 30 CHEDHN CCN(C[C@H]1CCC(C)(C)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000184651368 262290070 /nfs/dbraw/zinc/29/00/70/262290070.db2.gz YUOWKNAGNAXTHI-WMLDXEAASA-N 0 3 286.419 3.899 20 30 CHEDHN C=CCSCCN[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000221936403 262333302 /nfs/dbraw/zinc/33/33/02/262333302.db2.gz XCXNTMAEAYDWBH-OAHLLOKOSA-N 0 3 294.420 3.945 20 30 CHEDHN C=CCOCCN[C@H](CCC)c1ccc(F)cc1F ZINC000339076842 262594075 /nfs/dbraw/zinc/59/40/75/262594075.db2.gz GXBQMBGNQBORAD-OAHLLOKOSA-N 0 3 269.335 3.598 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CCCc2ccc(F)cc21 ZINC000414175832 262814782 /nfs/dbraw/zinc/81/47/82/262814782.db2.gz ZVHAPYHPHBVKRW-HNNXBMFYSA-N 0 3 260.356 3.733 20 30 CHEDHN Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCCCC#N ZINC000273320731 263015380 /nfs/dbraw/zinc/01/53/80/263015380.db2.gz ZEAYPYDSKOECPM-CYBMUJFWSA-N 0 3 299.443 3.997 20 30 CHEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000274560249 263026121 /nfs/dbraw/zinc/02/61/21/263026121.db2.gz YJYQBQISNVVWAL-WBIUFABUSA-N 0 3 264.319 3.698 20 30 CHEDHN COC1(C[C@@H](C)N[C@H](CCC#N)c2ccccc2)CCC1 ZINC000277176550 263039848 /nfs/dbraw/zinc/03/98/48/263039848.db2.gz SOGFXFMZKCBXBA-NVXWUHKLSA-N 0 3 286.419 3.969 20 30 CHEDHN COCC[C@@H](NCCCCC(C)(C)C#N)c1ccco1 ZINC000278942489 263052049 /nfs/dbraw/zinc/05/20/49/263052049.db2.gz YEISRNOSHKGWPL-CQSZACIVSA-N 0 3 278.396 3.667 20 30 CHEDHN CC(C)(CCC#N)CNCc1c(F)cc(F)c(F)c1F ZINC000281819511 263072130 /nfs/dbraw/zinc/07/21/30/263072130.db2.gz WMSUBNXVOGYOBY-UHFFFAOYSA-N 0 3 288.288 3.663 20 30 CHEDHN CSc1ccccc1[C@H](C)NCCC(C)(C)C#N ZINC000281852396 263072320 /nfs/dbraw/zinc/07/23/20/263072320.db2.gz ZJLVNVGDHRRVOB-LBPRGKRZSA-N 0 3 262.422 3.999 20 30 CHEDHN CSc1ccccc1[C@@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000282664875 263077992 /nfs/dbraw/zinc/07/79/92/263077992.db2.gz ITKNOARTNQZQOF-AGIUHOORSA-N 0 3 260.406 3.751 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)s1 ZINC000083853956 263081187 /nfs/dbraw/zinc/08/11/87/263081187.db2.gz MXUIWIMTALVYBI-VIFPVBQESA-N 0 3 254.786 3.746 20 30 CHEDHN N#CCCCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000286621461 263099041 /nfs/dbraw/zinc/09/90/41/263099041.db2.gz SBCWOAYADHTVHS-CQSZACIVSA-N 0 3 298.308 3.930 20 30 CHEDHN CC(C)(C#N)CCCN1CCC=C(c2cccnc2)C1 ZINC000289428810 263110143 /nfs/dbraw/zinc/11/01/43/263110143.db2.gz VKUKWMOJGQNMFY-UHFFFAOYSA-N 0 3 269.392 3.501 20 30 CHEDHN C[C@@H]1CN(CCCC(C)(C)C#N)Cc2ccccc2O1 ZINC000292337273 263131144 /nfs/dbraw/zinc/13/11/44/263131144.db2.gz GMEOUFDLVMBILT-CQSZACIVSA-N 0 3 272.392 3.599 20 30 CHEDHN C=C(C)COc1cc(CN[C@@H]2CC2(C)C)ccc1OC ZINC000340420666 263139024 /nfs/dbraw/zinc/13/90/24/263139024.db2.gz YQKLKOZOQMEAMK-MRXNPFEDSA-N 0 3 275.392 3.538 20 30 CHEDHN C=C(CNCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000340436194 263148086 /nfs/dbraw/zinc/14/80/86/263148086.db2.gz CTRYEBWVKPEZFW-UHFFFAOYSA-N 0 3 289.382 3.675 20 30 CHEDHN CC(C)Oc1cccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000293728804 263148123 /nfs/dbraw/zinc/14/81/23/263148123.db2.gz GKYOONTUSCVQES-GDBMZVCRSA-N 0 3 272.392 3.598 20 30 CHEDHN N#CCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294101445 263155812 /nfs/dbraw/zinc/15/58/12/263155812.db2.gz JKGPZSLBXAKXTA-GOSISDBHSA-N 0 3 294.398 3.959 20 30 CHEDHN CC(C)c1cccc2c1CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000294672315 263165625 /nfs/dbraw/zinc/16/56/25/263165625.db2.gz RWPUDVAQOPULRE-GOEBONIOSA-N 0 3 268.404 3.860 20 30 CHEDHN CC(C)c1cccc2c1CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000294672321 263165938 /nfs/dbraw/zinc/16/59/38/263165938.db2.gz RWPUDVAQOPULRE-ZBFHGGJFSA-N 0 3 268.404 3.860 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1F ZINC000296569807 263192976 /nfs/dbraw/zinc/19/29/76/263192976.db2.gz SVPSIOCBYOHYBA-MDZLAQPJSA-N 0 3 264.319 3.698 20 30 CHEDHN Cc1cccc(C2=CCN([C@H](C)CCC#N)CC2)c1 ZINC000299517615 263245195 /nfs/dbraw/zinc/24/51/95/263245195.db2.gz CPQAMUVRWJDIPY-OAHLLOKOSA-N 0 3 254.377 3.776 20 30 CHEDHN C=CCCC[C@H](C)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000340903583 263309359 /nfs/dbraw/zinc/30/93/59/263309359.db2.gz WBKMIGMZZHJBOI-LIRRHRJNSA-N 0 3 279.449 3.601 20 30 CHEDHN N#CCCCN[C@@H](COCc1ccccc1)c1ccccc1 ZINC000341844912 263359024 /nfs/dbraw/zinc/35/90/24/263359024.db2.gz GPEZAGHDSOAEAP-IBGZPJMESA-N 0 3 294.398 3.838 20 30 CHEDHN C=CC[C@@H](CO)CN[C@@H](CC)c1ccccc1OC(F)F ZINC000341879447 263362132 /nfs/dbraw/zinc/36/21/32/263362132.db2.gz UVWIGYMFVNHNFV-OCCSQVGLSA-N 0 3 299.361 3.513 20 30 CHEDHN CC#CCN[C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000342024661 263380205 /nfs/dbraw/zinc/38/02/05/263380205.db2.gz SGLVKRJCNFSCRD-AWEZNQCLSA-N 0 3 286.202 3.684 20 30 CHEDHN Cc1cccc([C@H]2CCCCCN2C(=O)C(C)C#N)c1 ZINC000334314368 263574827 /nfs/dbraw/zinc/57/48/27/263574827.db2.gz PDUCMRCTTUMQKO-GDBMZVCRSA-N 0 3 270.376 3.598 20 30 CHEDHN C[C@@H]1CCC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1C ZINC000330790917 264053931 /nfs/dbraw/zinc/05/39/31/264053931.db2.gz ABPILIDDKVQEFT-KNPMLCFXSA-N 0 3 285.391 3.549 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCC(=O)Nc1ccc(C)cc1Cl ZINC000425367978 264213532 /nfs/dbraw/zinc/21/35/32/264213532.db2.gz JFGMBOACMKXQAP-STQMWFEESA-N 0 3 294.826 3.777 20 30 CHEDHN CCC[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000189584477 264311334 /nfs/dbraw/zinc/31/13/34/264311334.db2.gz MCZREIZMTIWVLM-QGZVFWFLSA-N 0 3 267.376 3.528 20 30 CHEDHN Cc1c2ccccc2oc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000334503815 264352429 /nfs/dbraw/zinc/35/24/29/264352429.db2.gz AHTQZWFKJLIMSV-CHWSQXEVSA-N 0 3 254.333 3.523 20 30 CHEDHN C=C(C)[C@@H](NCC1CC(OCC)C1)c1ccc(F)c(F)c1 ZINC000285455783 264560487 /nfs/dbraw/zinc/56/04/87/264560487.db2.gz YJWCXCRDCKHWLJ-MKTAYPAQSA-N 0 3 295.373 3.987 20 30 CHEDHN C=CCCCCCCNCc1nccn1CC(F)(F)F ZINC000290216321 264756841 /nfs/dbraw/zinc/75/68/41/264756841.db2.gz WMRPJRRJMZDEHZ-UHFFFAOYSA-N 0 3 289.345 3.672 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cnc3ccccc3c1)CC2 ZINC000353261114 266036531 /nfs/dbraw/zinc/03/65/31/266036531.db2.gz CEFGUXUZMMTXMN-FQEVSTJZSA-N 0 3 299.377 3.884 20 30 CHEDHN CSC1(CN(CCC#N)CC(C)(C)C)CCC1 ZINC000356211709 266072951 /nfs/dbraw/zinc/07/29/51/266072951.db2.gz GIIUZNUKADUMNB-UHFFFAOYSA-N 0 3 254.443 3.534 20 30 CHEDHN CC(C)N(CCCOc1cccc(C#N)c1)Cc1ccco1 ZINC000357156218 266256048 /nfs/dbraw/zinc/25/60/48/266256048.db2.gz QRTRKYDWNIJCCR-UHFFFAOYSA-N 0 3 298.386 3.831 20 30 CHEDHN C=C(CN[C@@H](C)c1cnccc1C)c1ccccc1 ZINC000357777001 266359271 /nfs/dbraw/zinc/35/92/71/266359271.db2.gz GNUUNTLOSZHDIT-HNNXBMFYSA-N 0 3 252.361 3.754 20 30 CHEDHN C#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000368030956 267139494 /nfs/dbraw/zinc/13/94/94/267139494.db2.gz QSVWEFIDVYVBQL-VQTJNVASSA-N 0 3 291.394 3.535 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(-c3cccnc3)cc2)C1 ZINC000368155334 267149429 /nfs/dbraw/zinc/14/94/29/267149429.db2.gz ZMWDBEBOPWFEIM-LPHOPBHVSA-N 0 3 291.398 3.921 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1CCSC1 ZINC000369492851 267246631 /nfs/dbraw/zinc/24/66/31/267246631.db2.gz WYDSPQLGZYCDHO-USXIJHARSA-N 0 3 286.444 3.511 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000119345778 267324227 /nfs/dbraw/zinc/32/42/27/267324227.db2.gz BVTMJGDUEABZRN-GHMZBOCLSA-N 0 3 273.405 3.739 20 30 CHEDHN C[C@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCC1 ZINC000418145623 267366478 /nfs/dbraw/zinc/36/64/78/267366478.db2.gz YMKCNNCSWOTQJM-GFCCVEGCSA-N 0 3 262.784 3.554 20 30 CHEDHN C[C@@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCC1 ZINC000418145624 267366684 /nfs/dbraw/zinc/36/66/84/267366684.db2.gz YMKCNNCSWOTQJM-LBPRGKRZSA-N 0 3 262.784 3.554 20 30 CHEDHN Cc1cccc(CC[C@@H](C)NCC2(C#N)CCC2)c1 ZINC000418135370 267367776 /nfs/dbraw/zinc/36/77/76/267367776.db2.gz ANRRUEAOWDQUKL-OAHLLOKOSA-N 0 3 256.393 3.600 20 30 CHEDHN C[C@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CCC1 ZINC000418137222 267369947 /nfs/dbraw/zinc/36/99/47/267369947.db2.gz DKZVUXDPYHYIJB-GFCCVEGCSA-N 0 3 296.336 3.920 20 30 CHEDHN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cccc(C#N)c2)C1 ZINC000336146693 533699564 /nfs/dbraw/zinc/69/95/64/533699564.db2.gz PILBDDHZGHACTI-KDOFPFPSSA-N 0 3 277.371 3.536 20 30 CHEDHN C=CCC[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccco1 ZINC000367619686 327815815 /nfs/dbraw/zinc/81/58/15/327815815.db2.gz PLEDTGAVMQISSJ-BQFCYCMXSA-N 0 3 283.371 3.535 20 30 CHEDHN C=CC[C@@H](C)NCc1ccccc1Br ZINC000116927310 327822235 /nfs/dbraw/zinc/82/22/35/327822235.db2.gz MCCLIMBJNGQVJN-SNVBAGLBSA-N 0 3 254.171 3.503 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2OCC2CC2)C1 ZINC000185837142 327847100 /nfs/dbraw/zinc/84/71/00/327847100.db2.gz GRSSGHBXEKXXSD-DOTOQJQBSA-N 0 3 284.403 3.647 20 30 CHEDHN CCC[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000531562464 328018218 /nfs/dbraw/zinc/01/82/18/328018218.db2.gz YYGLCSJUESEEMR-ZDUSSCGKSA-N 0 3 260.356 3.709 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000565172485 328075799 /nfs/dbraw/zinc/07/57/99/328075799.db2.gz OJZJKCPIZDILDA-OAHLLOKOSA-N 0 3 297.789 3.596 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC=C(c2ccccn2)C1 ZINC000571175716 328090859 /nfs/dbraw/zinc/09/08/59/328090859.db2.gz KPWIUTLOSOYBKO-UHFFFAOYSA-N 0 3 283.419 3.891 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000537961239 328105002 /nfs/dbraw/zinc/10/50/02/328105002.db2.gz CFLUWDGSXANFGP-AWEZNQCLSA-N 0 3 265.372 3.686 20 30 CHEDHN C=CCN(Cc1cnc(CC)nc1)CC1CCCCC1 ZINC000414383649 328159316 /nfs/dbraw/zinc/15/93/16/328159316.db2.gz APTWXVXRXYORNV-UHFFFAOYSA-N 0 3 273.424 3.607 20 30 CHEDHN CC[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000582757907 329146441 /nfs/dbraw/zinc/14/64/41/329146441.db2.gz XPKPWDXTZROKHQ-NSHDSACASA-N 0 3 282.309 3.809 20 30 CHEDHN COC[C@@H](NCCCCC(C)(C)C#N)c1ccc(C)o1 ZINC000278543372 328227029 /nfs/dbraw/zinc/22/70/29/328227029.db2.gz AJDZHHRVWRHXFI-CQSZACIVSA-N 0 3 278.396 3.585 20 30 CHEDHN CN(Cc1cccc(OC(F)(F)F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000278623396 328228633 /nfs/dbraw/zinc/22/86/33/328228633.db2.gz NMVKVEGBKOYMQD-WCQYABFASA-N 0 3 298.308 3.709 20 30 CHEDHN CSC[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000292426307 328270316 /nfs/dbraw/zinc/27/03/16/328270316.db2.gz NEAHUUMHRNKTJE-HIFRSBDPSA-N 0 3 274.433 3.694 20 30 CHEDHN CC(C)CCO[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187693617 328300985 /nfs/dbraw/zinc/30/09/85/328300985.db2.gz AZAKHUFCOAWVRC-MAUKXSAKSA-N 0 3 286.419 3.756 20 30 CHEDHN N#Cc1ccc(CN2CCCC23CCCCC3)c(F)c1 ZINC000534668296 328346390 /nfs/dbraw/zinc/34/63/90/328346390.db2.gz SIRRXILYRPBHDW-UHFFFAOYSA-N 0 3 272.367 3.996 20 30 CHEDHN CS[C@@H]1CC[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000425337956 328467933 /nfs/dbraw/zinc/46/79/33/328467933.db2.gz AOLMVJSHXDXYGZ-QLFBSQMISA-N 0 3 260.406 3.515 20 30 CHEDHN Cc1cc2c(cc1C)[C@@H](NCC1(CC#N)CC1)CCCO2 ZINC000366810943 328515982 /nfs/dbraw/zinc/51/59/82/328515982.db2.gz QNUIHVDDCRJGMG-INIZCTEOSA-N 0 3 284.403 3.801 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000320768666 328551596 /nfs/dbraw/zinc/55/15/96/328551596.db2.gz PORAJOGPEXVDMU-CMPLNLGQSA-N 0 3 288.218 3.971 20 30 CHEDHN Cc1cccc([C@@H](C)NCc2cccc(C#N)c2)c1 ZINC000037748910 326860392 /nfs/dbraw/zinc/86/03/92/326860392.db2.gz BHQXXTYQYIRJER-CQSZACIVSA-N 0 3 250.345 3.718 20 30 CHEDHN CC(C)O[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C ZINC000556606016 326953299 /nfs/dbraw/zinc/95/32/99/326953299.db2.gz PUXCMHXVCGFJAB-DLBZAZTESA-N 0 3 298.430 3.729 20 30 CHEDHN C[C@@H]1CC[C@H](NCc2ccc(C#N)cc2F)C[C@@H]1C ZINC000085056019 326963330 /nfs/dbraw/zinc/96/33/30/326963330.db2.gz JLMFNJXNQAOTFT-XUJVJEKNSA-N 0 3 260.356 3.612 20 30 CHEDHN CC[C@H]1CCCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833438 327025552 /nfs/dbraw/zinc/02/55/52/327025552.db2.gz VAKJVNWLJHWYJT-AWEZNQCLSA-N 0 3 272.392 3.579 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccccc1OC(F)F ZINC000090883536 327101692 /nfs/dbraw/zinc/10/16/92/327101692.db2.gz IQAWZNTXUIKXCA-GFCCVEGCSA-N 0 3 285.334 3.531 20 30 CHEDHN CC(C#N)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000558579821 327107567 /nfs/dbraw/zinc/10/75/67/327107567.db2.gz ZVVNIQFBFKMCGZ-OQPBUACISA-N 0 3 297.185 3.720 20 30 CHEDHN C=C(CC)CNCc1csc(Br)c1 ZINC000313479660 327133211 /nfs/dbraw/zinc/13/32/11/327133211.db2.gz HDHCPATWLXHZDQ-UHFFFAOYSA-N 0 3 260.200 3.566 20 30 CHEDHN N#CCCOCCN1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000559110436 327141780 /nfs/dbraw/zinc/14/17/80/327141780.db2.gz MQMIEJZRMAQYLV-CVTTXWKISA-N 0 3 298.430 3.875 20 30 CHEDHN CC#CCN(C)[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000569549251 327196775 /nfs/dbraw/zinc/19/67/75/327196775.db2.gz DPPLSEAYWWZDFT-QGZVFWFLSA-N 0 3 291.822 3.763 20 30 CHEDHN CC1(C)CN(Cc2ccc(F)cc2C#N)[C@H]2CCC[C@@H]21 ZINC000559426035 327245022 /nfs/dbraw/zinc/24/50/22/327245022.db2.gz YPRCDUFEFSEPKE-HOTGVXAUSA-N 0 3 272.367 3.708 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccs1 ZINC000348264841 327288438 /nfs/dbraw/zinc/28/84/38/327288438.db2.gz ZUUDOEGHWCZVCO-GFCCVEGCSA-N 0 3 256.374 3.665 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000050225278 327314082 /nfs/dbraw/zinc/31/40/82/327314082.db2.gz UGGHXTAEDBFHTF-ZDUSSCGKSA-N 0 3 286.400 3.810 20 30 CHEDHN C=CCC[C@H](N[C@H](CO)Cc1ccccc1C)c1ccco1 ZINC000560549082 327323062 /nfs/dbraw/zinc/32/30/62/327323062.db2.gz LYWPFJYIYKBAJE-ROUUACIJSA-N 0 3 299.414 3.789 20 30 CHEDHN C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C#N)c1 ZINC000151029763 327412294 /nfs/dbraw/zinc/41/22/94/327412294.db2.gz IBORBFRSAAWQBN-SGTLLEGYSA-N 0 3 280.346 3.720 20 30 CHEDHN C=CCC[C@@H](CO)NCc1ccc(F)c(Cl)c1Cl ZINC000449701399 327415299 /nfs/dbraw/zinc/41/52/99/327415299.db2.gz WFMHUMSJNKDGEB-JTQLQIEISA-N 0 3 292.181 3.549 20 30 CHEDHN N#CC1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000157676985 327439179 /nfs/dbraw/zinc/43/91/79/327439179.db2.gz SPKTYOWQLQGVGD-UHFFFAOYSA-N 0 3 262.784 3.508 20 30 CHEDHN C=CC[C@H](CC)N[C@H](C)c1nc2ccccc2n1C ZINC000281543371 327605804 /nfs/dbraw/zinc/60/58/04/327605804.db2.gz ITLXEAPPWSAKED-OLZOCXBDSA-N 0 3 257.381 3.579 20 30 CHEDHN COc1ccc(CN2CCC(C)(C#N)CC2)c2ccccc12 ZINC000507717320 332820319 /nfs/dbraw/zinc/82/03/19/332820319.db2.gz HGCUFRFWDCUFSP-UHFFFAOYSA-N 0 3 294.398 3.974 20 30 CHEDHN C=CCOc1cccc(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000532628332 328797389 /nfs/dbraw/zinc/79/73/89/328797389.db2.gz GTZULNGTDUHRSU-AWEZNQCLSA-N 0 3 281.346 3.919 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CCc2c1cccc2Cl ZINC000563943139 328840259 /nfs/dbraw/zinc/84/02/59/328840259.db2.gz RNFJWGPQFDAFGY-AWEZNQCLSA-N 0 3 262.784 3.857 20 30 CHEDHN CC(C)(C#N)CCCCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377784838 329029372 /nfs/dbraw/zinc/02/93/72/329029372.db2.gz PXFASWWIHNJGCP-JKSUJKDBSA-N 0 3 290.451 3.740 20 30 CHEDHN Cc1ccccc1OCCN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000532894487 329060180 /nfs/dbraw/zinc/06/01/80/329060180.db2.gz YFTGKMOEQNDLHV-INIZCTEOSA-N 0 3 294.398 3.939 20 30 CHEDHN Cc1ncncc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000582677580 329127388 /nfs/dbraw/zinc/12/73/88/329127388.db2.gz SIDSWWRBJNHZAX-YJBOKZPZSA-N 0 3 294.402 3.871 20 30 CHEDHN Cc1ncncc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000582677579 329127440 /nfs/dbraw/zinc/12/74/40/329127440.db2.gz SIDSWWRBJNHZAX-QAPCUYQASA-N 0 3 294.402 3.871 20 30 CHEDHN C=CCN(CCc1scnc1C)Cc1cccc(C#N)c1 ZINC000172530482 329136982 /nfs/dbraw/zinc/13/69/82/329136982.db2.gz RXCAKKUANBSXME-UHFFFAOYSA-N 0 3 297.427 3.554 20 30 CHEDHN C=CCN1CCC(N[C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000177907051 329189845 /nfs/dbraw/zinc/18/98/45/329189845.db2.gz MYNRFXDWOMQLCU-GFCCVEGCSA-N 0 3 296.817 3.780 20 30 CHEDHN C=CCCCC(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000178819743 329200685 /nfs/dbraw/zinc/20/06/85/329200685.db2.gz NGJHCXOXHQNRAL-UHFFFAOYSA-N 0 3 286.419 3.886 20 30 CHEDHN N#CCCCCNCc1ccc(-c2ccncc2)cc1F ZINC000178916882 329202868 /nfs/dbraw/zinc/20/28/68/329202868.db2.gz MQSOBEMIPLVDLL-UHFFFAOYSA-N 0 3 283.350 3.671 20 30 CHEDHN C=CCOc1ccc(CN(Cc2cnc[nH]2)C(C)(C)C)cc1 ZINC000179722753 329207847 /nfs/dbraw/zinc/20/78/47/329207847.db2.gz PBEQZYZJXOJQJX-UHFFFAOYSA-N 0 3 299.418 3.775 20 30 CHEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000180243622 329218808 /nfs/dbraw/zinc/21/88/08/329218808.db2.gz QDVYSAAOOROQFF-VXGBXAGGSA-N 0 3 280.462 3.726 20 30 CHEDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000180243587 329218954 /nfs/dbraw/zinc/21/89/54/329218954.db2.gz QDVYSAAOOROQFF-NWDGAFQWSA-N 0 3 280.462 3.726 20 30 CHEDHN C=CCSCCN[C@@H](CC)c1ccccc1F ZINC000226616168 329262429 /nfs/dbraw/zinc/26/24/29/329262429.db2.gz LPJUXZUHFVTGPN-AWEZNQCLSA-N 0 3 253.386 3.786 20 30 CHEDHN CC(C)(CC#N)CNCc1cc2ccccc2s1 ZINC000459733454 329373332 /nfs/dbraw/zinc/37/33/32/329373332.db2.gz PZACSBBWVWLWAP-UHFFFAOYSA-N 0 3 258.390 3.931 20 30 CHEDHN C=CCCCCCN1CCC(OC)(C(F)(F)F)CC1 ZINC000419362868 329720200 /nfs/dbraw/zinc/72/02/00/329720200.db2.gz YHSRRDIWOVIMJS-UHFFFAOYSA-N 0 3 279.346 3.776 20 30 CHEDHN Cc1cc([C@@H](C)NCCCC#N)sc1Br ZINC000285854688 329961794 /nfs/dbraw/zinc/96/17/94/329961794.db2.gz IGMPJSCTGGGGOJ-SECBINFHSA-N 0 3 287.226 3.773 20 30 CHEDHN C[C@@H](NCCSC(C)(C)C)c1ccc(C#N)cc1 ZINC000266478171 330064081 /nfs/dbraw/zinc/06/40/81/330064081.db2.gz PNYGCBGZIHSXLP-GFCCVEGCSA-N 0 3 262.422 3.741 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1csc([C@@H](C)OC)n1 ZINC000269049241 330067388 /nfs/dbraw/zinc/06/73/88/330067388.db2.gz IBRVYCUHWCUSGB-QJPTWQEYSA-N 0 3 268.426 3.541 20 30 CHEDHN C#CC[C@H](NCc1sccc1C)c1ccccc1 ZINC000270152273 330073462 /nfs/dbraw/zinc/07/34/62/330073462.db2.gz DEKGHOFNKONBSX-HNNXBMFYSA-N 0 3 255.386 3.911 20 30 CHEDHN C#CC[C@H](NCc1cccc(OCC)c1)c1ccccc1 ZINC000270256367 330074247 /nfs/dbraw/zinc/07/42/47/330074247.db2.gz VGPXADSRMNLHFK-IBGZPJMESA-N 0 3 279.383 3.940 20 30 CHEDHN C=CCC[C@@H](C)N[C@H](CCOC)c1ccc(C)o1 ZINC000273215030 330090291 /nfs/dbraw/zinc/09/02/91/330090291.db2.gz AAHNRDIZQWCLJJ-TZMCWYRMSA-N 0 3 251.370 3.610 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)s2)c(C)c1 ZINC000421891185 330096994 /nfs/dbraw/zinc/09/69/94/330096994.db2.gz VWONFFKPCOBBGS-LBPRGKRZSA-N 0 3 286.400 3.788 20 30 CHEDHN CC(C)[C@H](NCc1ccc(C#N)s1)c1cccnc1 ZINC000421878262 330101817 /nfs/dbraw/zinc/10/18/17/330101817.db2.gz LVSXEYCNEDNIAY-HNNXBMFYSA-N 0 3 271.389 3.502 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)s1)c1ccsc1 ZINC000421893828 330104548 /nfs/dbraw/zinc/10/45/48/330104548.db2.gz XHYABCILMPBCLV-ZDUSSCGKSA-N 0 3 262.403 3.922 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1CCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000274803252 330110081 /nfs/dbraw/zinc/11/00/81/330110081.db2.gz OYFLSDBQRFLBTH-GHJWDPDVSA-N 0 3 281.346 3.739 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccco1 ZINC000276387587 330113311 /nfs/dbraw/zinc/11/33/11/330113311.db2.gz AWTWTTYJMDEPHC-CVEARBPZSA-N 0 3 297.402 3.550 20 30 CHEDHN C=C(C)[C@H](NC[C@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000278881350 330120624 /nfs/dbraw/zinc/12/06/24/330120624.db2.gz ZOCXFZFVDQZFPO-ABAIWWIYSA-N 0 3 283.387 3.925 20 30 CHEDHN C=C(C)CCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000278845981 330120723 /nfs/dbraw/zinc/12/07/23/330120723.db2.gz RCKOBRBGNUIIJV-UHFFFAOYSA-N 0 3 279.811 3.590 20 30 CHEDHN C=CCOc1ccc(CNCc2cnc(C)cc2C)cc1 ZINC000397025401 330236597 /nfs/dbraw/zinc/23/65/97/330236597.db2.gz NOKZBQYRBIWJPA-UHFFFAOYSA-N 0 3 282.387 3.553 20 30 CHEDHN CCOc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000035054088 330242359 /nfs/dbraw/zinc/24/23/59/330242359.db2.gz FQSNBXDDTOOWTK-CQSZACIVSA-N 0 3 280.371 3.808 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(Cl)cccc1Cl ZINC000424176442 330316509 /nfs/dbraw/zinc/31/65/09/330316509.db2.gz RLEROOCLNHFYJR-HZMBPMFUSA-N 0 3 286.202 3.674 20 30 CHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000532968714 330323420 /nfs/dbraw/zinc/32/34/20/330323420.db2.gz MROQXWVPIXGOHN-INIZCTEOSA-N 0 3 282.472 3.699 20 30 CHEDHN C=CCOc1cccc(CN[C@H](C)c2cccc(O)c2)c1 ZINC000105461679 330326548 /nfs/dbraw/zinc/32/65/48/330326548.db2.gz IUUSHTGCEXWMHE-CQSZACIVSA-N 0 3 283.371 3.808 20 30 CHEDHN CC(C)(CCC#N)CN[C@H]1C[C@]1(F)c1ccccc1 ZINC000424200712 330326582 /nfs/dbraw/zinc/32/65/82/330326582.db2.gz RDVCKLNKRISHAB-HOCLYGCPSA-N 0 3 260.356 3.543 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1csc(C(C)C)n1 ZINC000424300263 330337030 /nfs/dbraw/zinc/33/70/30/330337030.db2.gz XHBOLBKLRXLRDK-OBJOEFQTSA-N 0 3 280.437 3.508 20 30 CHEDHN COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424322207 330340366 /nfs/dbraw/zinc/34/03/66/330340366.db2.gz ICJJGXHESZOIAG-OGHNNQOOSA-N 0 3 284.403 3.699 20 30 CHEDHN Cc1cc(C)c2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424329608 330341893 /nfs/dbraw/zinc/34/18/93/330341893.db2.gz PPEGNFZXPXVVAW-ZMSDIMECSA-N 0 3 284.403 3.799 20 30 CHEDHN C=C(CC)CN[C@@H](Cc1ccncc1)c1cccs1 ZINC000424329515 330341996 /nfs/dbraw/zinc/34/19/96/330341996.db2.gz GQKOOUXIZWXFMH-HNNXBMFYSA-N 0 3 272.417 3.983 20 30 CHEDHN Cc1ccc(OC(F)F)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424330394 330342212 /nfs/dbraw/zinc/34/22/12/330342212.db2.gz QLYYDVANZIGAOZ-RWMBFGLXSA-N 0 3 294.345 3.939 20 30 CHEDHN C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1F ZINC000424337571 330343634 /nfs/dbraw/zinc/34/36/34/330343634.db2.gz ZNGQEQBHPOPPGM-JMPLFQLZSA-N 0 3 258.340 3.537 20 30 CHEDHN C=C(C)CN(CC)C/C=C/c1ccc(F)c(F)c1 ZINC000580498557 330350978 /nfs/dbraw/zinc/35/09/78/330350978.db2.gz VGOAMAVXMMHEGG-AATRIKPKSA-N 0 3 251.320 3.876 20 30 CHEDHN C=C(C)CN(CC)C/C=C\c1ccc(F)c(F)c1 ZINC000580498558 330351089 /nfs/dbraw/zinc/35/10/89/330351089.db2.gz VGOAMAVXMMHEGG-WAYWQWQTSA-N 0 3 251.320 3.876 20 30 CHEDHN Cc1cccc(OCCN(C)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000533241749 330354558 /nfs/dbraw/zinc/35/45/58/330354558.db2.gz LQVMLVIBVIVWMK-MRXNPFEDSA-N 0 3 294.398 3.939 20 30 CHEDHN C=CCC[C@@H](NCc1nc(C)c2ccccc2n1)C1CC1 ZINC000533359773 330359640 /nfs/dbraw/zinc/35/96/40/330359640.db2.gz AQRGNMIFDMYGLX-MRXNPFEDSA-N 0 3 281.403 3.773 20 30 CHEDHN C=CC[C@H](C)NCc1ccc(Br)cc1F ZINC000116927698 330361663 /nfs/dbraw/zinc/36/16/63/330361663.db2.gz QYTOMCCMLGZVKT-VIFPVBQESA-N 0 3 272.161 3.642 20 30 CHEDHN C=C(CC)CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000536889520 330363342 /nfs/dbraw/zinc/36/33/42/330363342.db2.gz KMCXQOZTLLOLJX-AWEZNQCLSA-N 0 3 259.349 3.518 20 30 CHEDHN C=C(C)CNCc1cc2ccccc2nc1N1CCCCC1 ZINC000119627871 330377871 /nfs/dbraw/zinc/37/78/71/330377871.db2.gz CVJPSALXNJVJDC-UHFFFAOYSA-N 0 3 295.430 3.891 20 30 CHEDHN C=C(C)CNCc1cccc(OCC)c1OCCC ZINC000119640819 330378103 /nfs/dbraw/zinc/37/81/03/330378103.db2.gz AJYUKHQOXDBIAK-UHFFFAOYSA-N 0 3 263.381 3.540 20 30 CHEDHN N#Cc1ccccc1CN[C@H](Cc1ccccc1)C1CC1 ZINC000162810565 330384748 /nfs/dbraw/zinc/38/47/48/330384748.db2.gz KUFPIPKLONKDIN-LJQANCHMSA-N 0 3 276.383 3.669 20 30 CHEDHN C=C(C)COCCN[C@H](CCC)c1ccc(OC)cc1 ZINC000090451132 330392491 /nfs/dbraw/zinc/39/24/91/330392491.db2.gz YQHVUFUXNFOPGG-QGZVFWFLSA-N 0 3 277.408 3.719 20 30 CHEDHN C=C(C)COCCN[C@H](CC)c1cc(F)ccc1F ZINC000090450951 330392555 /nfs/dbraw/zinc/39/25/55/330392555.db2.gz DGSUMSDBIIJQDJ-OAHLLOKOSA-N 0 3 269.335 3.598 20 30 CHEDHN C=C(C)COCCN[C@@H](CCC)c1ccc(OC)cc1 ZINC000090451131 330392559 /nfs/dbraw/zinc/39/25/59/330392559.db2.gz YQHVUFUXNFOPGG-KRWDZBQOSA-N 0 3 277.408 3.719 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000537275295 330430874 /nfs/dbraw/zinc/43/08/74/330430874.db2.gz KQKCIUBPXHBJIJ-ROUUACIJSA-N 0 3 280.371 3.967 20 30 CHEDHN Cc1cc(CN2CCC(C3CCOCC3)CC2)ccc1C#N ZINC000517005860 330480340 /nfs/dbraw/zinc/48/03/40/330480340.db2.gz ONJSLVALLRNQCO-UHFFFAOYSA-N 0 3 298.430 3.505 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000426121533 330499966 /nfs/dbraw/zinc/49/99/66/330499966.db2.gz BPPHMBUSEXTEEO-CMPLNLGQSA-N 0 3 288.218 3.971 20 30 CHEDHN CCSc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000426318610 330504048 /nfs/dbraw/zinc/50/40/48/330504048.db2.gz ROXXZCVGTMBWGW-DZGCQCFKSA-N 0 3 274.433 3.971 20 30 CHEDHN C[C@@H](N[C@H]1CC12CCCC2)c1ccc(C#N)cc1F ZINC000429425467 330546031 /nfs/dbraw/zinc/54/60/31/330546031.db2.gz FCDGMMXHBRRJKB-ABAIWWIYSA-N 0 3 258.340 3.681 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1cnc2ccsc2c1 ZINC000430733516 330571799 /nfs/dbraw/zinc/57/17/99/330571799.db2.gz FZUAGABWYHLCFH-NSHDSACASA-N 0 3 271.389 3.641 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(Cl)c1F ZINC000435736584 330661432 /nfs/dbraw/zinc/66/14/32/330661432.db2.gz YDYGMKIQZMECJY-DOMZBBRYSA-N 0 3 283.774 3.550 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000155626086 330690933 /nfs/dbraw/zinc/69/09/33/330690933.db2.gz RHDNECSYHXLCLW-LBPRGKRZSA-N 0 3 285.334 3.531 20 30 CHEDHN C=CC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441384529 330767252 /nfs/dbraw/zinc/76/72/52/330767252.db2.gz BVFJARASQKOMLY-LBPRGKRZSA-N 0 3 260.337 3.554 20 30 CHEDHN CCCc1csc(CNCC2CCC(C#N)CC2)n1 ZINC000441387418 330767561 /nfs/dbraw/zinc/76/75/61/330767561.db2.gz XVOCCDKQWAEOQA-UHFFFAOYSA-N 0 3 277.437 3.515 20 30 CHEDHN N#C[C@@H]1CC[C@H](NC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000442842987 330786418 /nfs/dbraw/zinc/78/64/18/330786418.db2.gz RCBBBARUYUHTPL-XBFCOCLRSA-N 0 3 282.309 3.614 20 30 CHEDHN C[C@@H](NCCCCC(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000444678676 330818696 /nfs/dbraw/zinc/81/86/96/330818696.db2.gz XUTXQEVMRSVEBC-CYBMUJFWSA-N 0 3 289.379 3.965 20 30 CHEDHN CC(C)[C@H](N[C@H]1CCC[C@H](C#N)C1)c1nc2ccccc2[nH]1 ZINC000446822258 330855159 /nfs/dbraw/zinc/85/51/59/330855159.db2.gz VOZBNDDBULOZJD-ZQIUZPCESA-N 0 3 296.418 3.932 20 30 CHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000447564354 330870105 /nfs/dbraw/zinc/87/01/05/330870105.db2.gz WTNILEIACAWPIY-GOSISDBHSA-N 0 3 275.355 3.671 20 30 CHEDHN CC[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000447600331 330872414 /nfs/dbraw/zinc/87/24/14/330872414.db2.gz LXHPPSBZUXOOAJ-GXFFZTMASA-N 0 3 270.298 3.940 20 30 CHEDHN C=CC[C@@H](C)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449148385 330901851 /nfs/dbraw/zinc/90/18/51/330901851.db2.gz KDYOKXCYSBKJGK-LDYMZIIASA-N 0 3 255.283 3.645 20 30 CHEDHN C=CC[C@H](C)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449148384 330901876 /nfs/dbraw/zinc/90/18/76/330901876.db2.gz KDYOKXCYSBKJGK-KWQFWETISA-N 0 3 255.283 3.645 20 30 CHEDHN C=CCC1(CNCc2ncc(COC)s2)CCCC1 ZINC000449607047 330939184 /nfs/dbraw/zinc/93/91/84/330939184.db2.gz VIUBZZUJIPZLNU-UHFFFAOYSA-N 0 3 280.437 3.516 20 30 CHEDHN C=C(CC)CNCc1cc(Cl)cc2cccnc21 ZINC000449729355 330945972 /nfs/dbraw/zinc/94/59/72/330945972.db2.gz ARRPOWWHPXFTNJ-UHFFFAOYSA-N 0 3 260.768 3.944 20 30 CHEDHN C=CC1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000450387941 330975692 /nfs/dbraw/zinc/97/56/92/330975692.db2.gz HBYFDJHRFKTCPR-UHFFFAOYSA-N 0 3 257.377 3.548 20 30 CHEDHN C=C[C@H]1CCCCN1CCCC(=O)c1ccccc1 ZINC000450884700 331004762 /nfs/dbraw/zinc/00/47/62/331004762.db2.gz SRRXLCDTGJXAJZ-INIZCTEOSA-N 0 3 257.377 3.690 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000451601852 331035954 /nfs/dbraw/zinc/03/59/54/331035954.db2.gz BUQOLTMOMKPZJB-FZQKWOKYSA-N 0 3 286.202 3.988 20 30 CHEDHN C=C(C)COCCN[C@@H]1CCSc2c(F)cccc21 ZINC000163512906 331049666 /nfs/dbraw/zinc/04/96/66/331049666.db2.gz HKDRKOLAXVYCNC-CQSZACIVSA-N 0 3 281.396 3.545 20 30 CHEDHN C=CCCc1noc(-c2ccc(CN(CC)C3CC3)cc2)n1 ZINC000453248156 331107097 /nfs/dbraw/zinc/10/70/97/331107097.db2.gz PFQXWDBPAOPGSN-UHFFFAOYSA-N 0 3 297.402 3.840 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1ncc(Br)cc1F ZINC000453322407 331114061 /nfs/dbraw/zinc/11/40/61/331114061.db2.gz QUUZTSKTNGRVNP-VIFPVBQESA-N 0 3 287.176 3.600 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cc(Cl)ccc1OC ZINC000453364881 331123168 /nfs/dbraw/zinc/12/31/68/331123168.db2.gz QKODBWGJDKKJSA-KFWWJZLASA-N 0 3 295.810 3.733 20 30 CHEDHN CC[C@@H](NCc1cnc(C)cc1C)c1ccc(C#N)cc1 ZINC000453364824 331123182 /nfs/dbraw/zinc/12/31/82/331123182.db2.gz ORKDCIANSVFMDF-GOSISDBHSA-N 0 3 279.387 3.811 20 30 CHEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000453369285 331123788 /nfs/dbraw/zinc/12/37/88/331123788.db2.gz TUEKIDNJIPBMRQ-ZBFHGGJFSA-N 0 3 285.387 3.924 20 30 CHEDHN C=CCC[C@H](CO)N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000453375304 331124618 /nfs/dbraw/zinc/12/46/18/331124618.db2.gz WLDYAMQEAMBFJQ-UKRRQHHQSA-N 0 3 273.376 3.719 20 30 CHEDHN C=CCC1(CN[C@@H](C)c2nccs2)CCCC1 ZINC000453384330 331126226 /nfs/dbraw/zinc/12/62/26/331126226.db2.gz TZUBLHRYHSVWIS-LBPRGKRZSA-N 0 3 250.411 3.930 20 30 CHEDHN C=CCC1(CN[C@@H]2C[C@@H](C)n3ccnc32)CCCC1 ZINC000453387900 331126846 /nfs/dbraw/zinc/12/68/46/331126846.db2.gz WESJGQPGRHXAKK-ZIAGYGMSSA-N 0 3 259.397 3.615 20 30 CHEDHN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000453392022 331127429 /nfs/dbraw/zinc/12/74/29/331127429.db2.gz UCVYXGGDXBDUKE-KPZWWZAWSA-N 0 3 280.346 3.720 20 30 CHEDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000453426252 331130983 /nfs/dbraw/zinc/13/09/83/331130983.db2.gz YXFIUSSOGLTMJL-CSMYWGQOSA-N 0 3 290.382 3.696 20 30 CHEDHN C[C@@H](NC[C@@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1F ZINC000453426024 331131048 /nfs/dbraw/zinc/13/10/48/331131048.db2.gz OIEJTBHBLKZGTR-TZMCWYRMSA-N 0 3 290.382 3.553 20 30 CHEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000456649044 331198256 /nfs/dbraw/zinc/19/82/56/331198256.db2.gz BZRVBGVKGHRSSF-ROUUACIJSA-N 0 3 298.430 3.844 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459274197 331274300 /nfs/dbraw/zinc/27/43/00/331274300.db2.gz ALABKICUUUHCPE-WMZOPIPTSA-N 0 3 294.373 3.933 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(Cl)c(F)c1 ZINC000459688964 331294627 /nfs/dbraw/zinc/29/46/27/331294627.db2.gz IJYQBLYGEMYDNP-UHFFFAOYSA-N 0 3 254.736 3.509 20 30 CHEDHN CC(C)COc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459735517 331296803 /nfs/dbraw/zinc/29/68/03/331296803.db2.gz TVFARJNHUHAEHS-UHFFFAOYSA-N 0 3 274.408 3.751 20 30 CHEDHN Cc1ccc2[nH]c(CNCC(C)(C)CC#N)cc2c1C ZINC000459738221 331297231 /nfs/dbraw/zinc/29/72/31/331297231.db2.gz XVJCCSXTAHCELF-UHFFFAOYSA-N 0 3 269.392 3.814 20 30 CHEDHN C=CC[C@@H](C)NCc1sccc1Br ZINC000164997488 331305569 /nfs/dbraw/zinc/30/55/69/331305569.db2.gz GFSSETJMJHCINN-MRVPVSSYSA-N 0 3 260.200 3.565 20 30 CHEDHN C=CCC[C@@H](CC)N[C@@H](COC)c1ccc(CC)o1 ZINC000462114145 331317312 /nfs/dbraw/zinc/31/73/12/331317312.db2.gz ZNDACFLNJDCPDC-HIFRSBDPSA-N 0 3 265.397 3.864 20 30 CHEDHN CN(CCNc1c(Cl)cccc1C#N)Cc1ccccc1 ZINC000462784400 331328830 /nfs/dbraw/zinc/32/88/30/331328830.db2.gz FSCNDBXFKXJPJM-UHFFFAOYSA-N 0 3 299.805 3.756 20 30 CHEDHN C=C(C)[C@@H](NCC1(COC)CCC1)c1ccc(F)c(F)c1 ZINC000463204574 331342203 /nfs/dbraw/zinc/34/22/03/331342203.db2.gz RGTUJDLHZUVITM-MRXNPFEDSA-N 0 3 295.373 3.988 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000464887503 331372756 /nfs/dbraw/zinc/37/27/56/331372756.db2.gz NHRYWWOPIRARRB-GJZGRUSLSA-N 0 3 293.332 3.789 20 30 CHEDHN N#Cc1cccc(CCNCc2ccccc2Cl)c1 ZINC000466411389 331395592 /nfs/dbraw/zinc/39/55/92/331395592.db2.gz ZTXXSPJKFIDSEA-UHFFFAOYSA-N 0 3 270.763 3.544 20 30 CHEDHN C=CCC[C@@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000472656224 331540697 /nfs/dbraw/zinc/54/06/97/331540697.db2.gz YPRMAUGPVIWGEW-CQSZACIVSA-N 0 3 299.336 3.611 20 30 CHEDHN N#Cc1ccc(CNCCCc2ccccc2F)c(F)c1 ZINC000475578774 331638482 /nfs/dbraw/zinc/63/84/82/331638482.db2.gz CWRLIPMUMQLHOZ-UHFFFAOYSA-N 0 3 286.325 3.559 20 30 CHEDHN C[C@H]1CCC[C@H](CCN2CCC(F)(C#N)CC2)C1 ZINC000510952447 332921880 /nfs/dbraw/zinc/92/18/80/332921880.db2.gz ZLMUIMKYUDLTIZ-UONOGXRCSA-N 0 3 252.377 3.530 20 30 CHEDHN C[C@@H]1CCC[C@H](NCc2ccc(F)cc2C#N)[C@H]1C ZINC000481181462 331800271 /nfs/dbraw/zinc/80/02/71/331800271.db2.gz WDYZAQXLNIMFDF-WQGACYEGSA-N 0 3 260.356 3.612 20 30 CHEDHN Cc1cc(CNC2(c3ccccc3)CC2)ccc1C#N ZINC000488129618 331991349 /nfs/dbraw/zinc/99/13/49/331991349.db2.gz UZAJQLNJVNMSTB-UHFFFAOYSA-N 0 3 262.356 3.646 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(C)c2)cc1 ZINC000488135347 331991599 /nfs/dbraw/zinc/99/15/99/331991599.db2.gz DIDKLURBAJAPMN-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C=CCC[C@H](CC)N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000488488785 332013452 /nfs/dbraw/zinc/01/34/52/332013452.db2.gz RYQWNVUZROBBNJ-AVGNSLFASA-N 0 3 264.417 3.714 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000488561024 332017524 /nfs/dbraw/zinc/01/75/24/332017524.db2.gz PZQSGOHMOZGQTA-WBIUFABUSA-N 0 3 251.320 3.828 20 30 CHEDHN Cc1cc(CN2CC[C@@H](CC(F)(F)F)C2)ccc1C#N ZINC000489044113 332039056 /nfs/dbraw/zinc/03/90/56/332039056.db2.gz PKTQKFYUWQQLDM-ZDUSSCGKSA-N 0 3 282.309 3.641 20 30 CHEDHN C[C@H]1CCCC[C@H]1N(C)Cc1ccc(F)cc1C#N ZINC000489580012 332060091 /nfs/dbraw/zinc/06/00/91/332060091.db2.gz UESQISHCFAKIOV-BLLLJJGKSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCO[C@@H](C)C1 ZINC000491135704 332154911 /nfs/dbraw/zinc/15/49/11/332154911.db2.gz LOIXOSPPKSWEHH-LSDHHAIUSA-N 0 3 277.383 3.629 20 30 CHEDHN C#C[C@H](N[C@H](C)CCC(F)(F)F)c1ccc(F)cc1 ZINC000491663397 332272452 /nfs/dbraw/zinc/27/24/52/332272452.db2.gz MSLQCZNVEUDQHT-MFKMUULPSA-N 0 3 273.273 3.821 20 30 CHEDHN CCC(CC)CN(CC)Cc1ccc(F)cc1C#N ZINC000492168094 332385505 /nfs/dbraw/zinc/38/55/05/332385505.db2.gz LVCXLCXDQPMYHG-UHFFFAOYSA-N 0 3 262.372 3.955 20 30 CHEDHN C[C@@H](N[C@@H](C)CCc1ccco1)c1ccc(C#N)cc1F ZINC000512659555 332978420 /nfs/dbraw/zinc/97/84/20/332978420.db2.gz HXKMVHFTIFGUND-QWHCGFSZSA-N 0 3 286.350 3.962 20 30 CHEDHN Cc1cc(CN(C)CCOc2cccc(C#N)c2)ccc1F ZINC000513489746 333022365 /nfs/dbraw/zinc/02/23/65/333022365.db2.gz JSLVHQOOWIABRC-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN Cc1cc(F)ccc1CN(C)CCOc1cccc(C#N)c1 ZINC000513503734 333023259 /nfs/dbraw/zinc/02/32/59/333023259.db2.gz XCZNVJGBZRQHJY-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN CC[C@@H](C)[C@@H](C)NCc1ccc(Br)cc1C#N ZINC000310310475 333057087 /nfs/dbraw/zinc/05/70/87/333057087.db2.gz TUTFVRLILQJQHF-GHMZBOCLSA-N 0 3 295.224 3.845 20 30 CHEDHN C=CCOCCS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000516866791 333084709 /nfs/dbraw/zinc/08/47/09/333084709.db2.gz PTLGUSOZPTXLOJ-QGZVFWFLSA-N 0 3 291.460 3.587 20 30 CHEDHN COc1ccccc1/C=C/CN1CCC(CCC#N)CC1 ZINC000517148086 333093329 /nfs/dbraw/zinc/09/33/29/333093329.db2.gz BDFJCRBDDZZVEN-VMPITWQZSA-N 0 3 284.403 3.724 20 30 CHEDHN C[C@@H](NCC1(C#N)CC1)C1CCC(C(F)(F)F)CC1 ZINC000517272735 333096663 /nfs/dbraw/zinc/09/66/63/333096663.db2.gz YJKCRBCFXXTETB-VOMCLLRMSA-N 0 3 274.330 3.637 20 30 CHEDHN COc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000185760793 333148237 /nfs/dbraw/zinc/14/82/37/333148237.db2.gz YCOYCKLNEFUTAF-SGMGOOAPSA-N 0 3 276.355 3.567 20 30 CHEDHN N#CCCC1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000575864908 335125281 /nfs/dbraw/zinc/12/52/81/335125281.db2.gz ATWPDRCKJAKECU-UHFFFAOYSA-N 0 3 297.377 3.890 20 30 CHEDHN C=CCC[C@H](O)CNC(C)(C)c1cccc(Cl)c1F ZINC000186889177 333166368 /nfs/dbraw/zinc/16/63/68/333166368.db2.gz KFRDLDWDVSGJQZ-NSHDSACASA-N 0 3 285.790 3.631 20 30 CHEDHN CCCOc1ccc(CNCc2cccc(C#N)c2)c(C)c1 ZINC000188795415 333173890 /nfs/dbraw/zinc/17/38/90/333173890.db2.gz CNHIKAPBIFRROS-UHFFFAOYSA-N 0 3 294.398 3.945 20 30 CHEDHN C(#Cc1ccccc1)CN1CC[C@@H](c2ccccc2)C1 ZINC000191973098 333227685 /nfs/dbraw/zinc/22/76/85/333227685.db2.gz XCFKUMLPQDUCGQ-LJQANCHMSA-N 0 3 261.368 3.528 20 30 CHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCC[C@@H]1C ZINC000522035541 333231057 /nfs/dbraw/zinc/23/10/57/333231057.db2.gz XZLQCIGMXPEUDB-JKSUJKDBSA-N 0 3 291.435 3.976 20 30 CHEDHN C=CCCCCCN[C@@H](COC)c1ccc(C)o1 ZINC000193547825 333252947 /nfs/dbraw/zinc/25/29/47/333252947.db2.gz SJJLYIWGYLAZPK-AWEZNQCLSA-N 0 3 251.370 3.612 20 30 CHEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000229413618 333304692 /nfs/dbraw/zinc/30/46/92/333304692.db2.gz KEVLJJIGZIHQKB-JHJVBQTASA-N 0 3 260.356 3.564 20 30 CHEDHN CC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000229750415 333309082 /nfs/dbraw/zinc/30/90/82/333309082.db2.gz NKEVALDWWCHLRW-CYBMUJFWSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCCOCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000229879818 333310643 /nfs/dbraw/zinc/31/06/43/333310643.db2.gz BMZHQQVDEYNHIR-UHFFFAOYSA-N 0 3 289.350 3.768 20 30 CHEDHN CC(C)(C)[C@@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC000230142221 333314959 /nfs/dbraw/zinc/31/49/59/333314959.db2.gz DFNWSJSMDCCUSU-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC[C@H](C(F)(F)F)C1 ZINC000232528708 333338304 /nfs/dbraw/zinc/33/83/04/333338304.db2.gz LWKYSWOTBVNUQZ-LBPRGKRZSA-N 0 3 276.346 3.981 20 30 CHEDHN CC(C)Cc1ccc([C@@H](NC(=O)C(C)C#N)C2CC2)cc1 ZINC000524071041 333352762 /nfs/dbraw/zinc/35/27/62/333352762.db2.gz XPEMEDYOYZRNJB-SUMWQHHRSA-N 0 3 284.403 3.612 20 30 CHEDHN CC(C)c1ccc(OCCNCc2ccc(C#N)cc2)cc1 ZINC000236681938 333374702 /nfs/dbraw/zinc/37/47/02/333374702.db2.gz FYCKGUSYMNJWCN-UHFFFAOYSA-N 0 3 294.398 3.850 20 30 CHEDHN COCc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1F ZINC000174068724 335147458 /nfs/dbraw/zinc/14/74/58/335147458.db2.gz XKVJXAZMYWZHMD-ZDUSSCGKSA-N 0 3 298.361 3.695 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000125612372 333568338 /nfs/dbraw/zinc/56/83/38/333568338.db2.gz YUEYTGINHDUQNW-LBPRGKRZSA-N 0 3 287.325 3.949 20 30 CHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000174252051 335151246 /nfs/dbraw/zinc/15/12/46/335151246.db2.gz DVIABQPAQOAGDZ-KBPBESRZSA-N 0 3 298.361 3.815 20 30 CHEDHN CCCCOc1ccc(CCNCc2ccc(C#N)o2)cc1 ZINC000174276387 335151979 /nfs/dbraw/zinc/15/19/79/335151979.db2.gz FXMWFVCIRHUTGB-UHFFFAOYSA-N 0 3 298.386 3.662 20 30 CHEDHN C=C(C)COCCN[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000539060535 333653315 /nfs/dbraw/zinc/65/33/15/333653315.db2.gz TUQBHGKPTQXDQD-SUMWQHHRSA-N 0 3 277.383 3.631 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2cccs2)C2CC2)s1 ZINC000539415772 333670624 /nfs/dbraw/zinc/67/06/24/333670624.db2.gz SGGHAUGCYSAVPQ-AWEZNQCLSA-N 0 3 274.414 3.922 20 30 CHEDHN C[C@H](NC/C=C/c1ccccc1)c1cccc(C#N)c1 ZINC000174431650 335154677 /nfs/dbraw/zinc/15/46/77/335154677.db2.gz YWNCCHLHWULXPH-WGPYJDKQSA-N 0 3 262.356 3.922 20 30 CHEDHN CC1(CNCc2ccc(C#N)cc2F)Cc2ccccc2C1 ZINC000539853973 333699023 /nfs/dbraw/zinc/69/90/23/333699023.db2.gz JRKDCBNRKAJHPE-UHFFFAOYSA-N 0 3 294.373 3.592 20 30 CHEDHN C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(CC#N)cc1 ZINC000576107205 335155290 /nfs/dbraw/zinc/15/52/90/335155290.db2.gz CVPLOMCZPXLJID-LIRRHRJNSA-N 0 3 276.383 3.776 20 30 CHEDHN C=C(CC)CN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000540202479 333720857 /nfs/dbraw/zinc/72/08/57/333720857.db2.gz LICMUSAUXIJPSV-UHFFFAOYSA-N 0 3 278.484 3.785 20 30 CHEDHN Cc1cccc(OC[C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000540596043 333736823 /nfs/dbraw/zinc/73/68/23/333736823.db2.gz JHSZPLOKKIYDHN-JKSUJKDBSA-N 0 3 294.398 3.985 20 30 CHEDHN C=C(C)COCCN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000542846803 333845116 /nfs/dbraw/zinc/84/51/16/333845116.db2.gz NTJDBHCHPDHVOO-MRXNPFEDSA-N 0 3 283.362 3.844 20 30 CHEDHN CC(C)COc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000542850797 333845324 /nfs/dbraw/zinc/84/53/24/333845324.db2.gz PTLZYRQFJJXGRW-UHFFFAOYSA-N 0 3 286.419 3.847 20 30 CHEDHN N#CCC1CCN(CCCc2ccccc2Cl)CC1 ZINC000543184787 333863182 /nfs/dbraw/zinc/86/31/82/333863182.db2.gz POGWWSPCFUPIFH-UHFFFAOYSA-N 0 3 276.811 3.898 20 30 CHEDHN C=CCOc1ccccc1CNC1CC(C(F)(F)F)C1 ZINC000576188902 335166830 /nfs/dbraw/zinc/16/68/30/335166830.db2.gz QVPSIAJUENAUNL-UHFFFAOYSA-N 0 3 285.309 3.682 20 30 CHEDHN CCN(CCC1CC1)Cc1ccc(C#N)cc1OC(F)F ZINC000546932426 334055946 /nfs/dbraw/zinc/05/59/46/334055946.db2.gz FEHNYKDGDYRRGJ-UHFFFAOYSA-N 0 3 294.345 3.782 20 30 CHEDHN C=C(C)COc1cc(CN[C@H]2C=CCCC2)ccc1OC ZINC000237146493 334082427 /nfs/dbraw/zinc/08/24/27/334082427.db2.gz IPYPBBREGJVTNJ-INIZCTEOSA-N 0 3 287.403 3.848 20 30 CHEDHN C/C=C\COc1ccc(CC[C@H](C)NC[C@@H](C)C#N)cc1 ZINC000547361822 334083332 /nfs/dbraw/zinc/08/33/32/334083332.db2.gz PERULHLLEUTNCV-UDLYIEAKSA-N 0 3 286.419 3.712 20 30 CHEDHN CC(C)CSCCN[C@@H](C)c1cccc(C#N)c1 ZINC000341776414 335171958 /nfs/dbraw/zinc/17/19/58/335171958.db2.gz NACILIPFUITHAM-ZDUSSCGKSA-N 0 3 262.422 3.598 20 30 CHEDHN C[C@@H](CCC1CCCCC1)NCc1ccc(C#N)o1 ZINC000237548530 334090952 /nfs/dbraw/zinc/09/09/52/334090952.db2.gz TZPPSIRZGSVIEN-ZDUSSCGKSA-N 0 3 260.381 3.990 20 30 CHEDHN Cc1cc(C(=O)C(C#N)c2ccccn2)ccc1Cl ZINC000135027301 334112596 /nfs/dbraw/zinc/11/25/96/334112596.db2.gz CEDIWJXFRXIFEN-LBPRGKRZSA-N 0 3 270.719 3.534 20 30 CHEDHN N#CCC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000547767957 334115823 /nfs/dbraw/zinc/11/58/23/334115823.db2.gz URPUIXISQZQZTC-UHFFFAOYSA-N 0 3 264.319 3.750 20 30 CHEDHN CC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000079054665 334146753 /nfs/dbraw/zinc/14/67/53/334146753.db2.gz FVYFQWKKEXSTQF-CYBMUJFWSA-N 0 3 260.356 3.709 20 30 CHEDHN CN(CCSc1ccccc1)Cc1cccc(C#N)c1 ZINC000079618414 334158217 /nfs/dbraw/zinc/15/82/17/334158217.db2.gz NVKXKEKXVSJXTA-UHFFFAOYSA-N 0 3 282.412 3.782 20 30 CHEDHN N#CCC[C@@H](C#N)CNC1CCC(c2ccccc2)CC1 ZINC000548788284 334174129 /nfs/dbraw/zinc/17/41/29/334174129.db2.gz COSJWPQJJOCEFT-ZLPCBKJTSA-N 0 3 281.403 3.746 20 30 CHEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccc(C(C)(C)C)cc1 ZINC000549140379 334186322 /nfs/dbraw/zinc/18/63/22/334186322.db2.gz HOCHVUVEZCAJBH-BBRMVZONSA-N 0 3 286.419 3.957 20 30 CHEDHN N#Cc1ccc(CNCC2CC(c3ccccc3)C2)c(F)c1 ZINC000549241778 334188655 /nfs/dbraw/zinc/18/86/55/334188655.db2.gz ILZUCRYVHAPZSE-UHFFFAOYSA-N 0 3 294.373 3.981 20 30 CHEDHN COC1(CCN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCC1 ZINC000549464357 334194570 /nfs/dbraw/zinc/19/45/70/334194570.db2.gz WYDFWGIGSQXVQU-ZWKOTPCHSA-N 0 3 298.430 3.717 20 30 CHEDHN C=CCC(C)(C)CNCc1cc(OC)ccc1OC(F)F ZINC000550225321 334216732 /nfs/dbraw/zinc/21/67/32/334216732.db2.gz DHNROYUUEBUWME-UHFFFAOYSA-N 0 3 299.361 3.989 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)o2)CC[C@H]1c1ccccc1 ZINC000245766261 334218322 /nfs/dbraw/zinc/21/83/22/334218322.db2.gz QWHLRCBTQYTSIO-KBXCAEBGSA-N 0 3 280.371 3.777 20 30 CHEDHN C=CCC[C@H](N[C@@H]1C[C@H](OC)C1(C)C)c1ccco1 ZINC000552268543 334310380 /nfs/dbraw/zinc/31/03/80/334310380.db2.gz OZDABFYKPUUHCL-CFVMTHIKSA-N 0 3 263.381 3.690 20 30 CHEDHN CCN(C[C@H]1CCCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000249758141 334339977 /nfs/dbraw/zinc/33/99/77/334339977.db2.gz JDNMMSQBBVHWRL-RHSMWYFYSA-N 0 3 272.392 3.510 20 30 CHEDHN N#CCC[C@@H](C#N)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000554432803 334430141 /nfs/dbraw/zinc/43/01/41/334430141.db2.gz IHGDDLYKMLSBNZ-KSSFIOAISA-N 0 3 297.377 3.795 20 30 CHEDHN N#CCCN[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000565652698 334584277 /nfs/dbraw/zinc/58/42/77/334584277.db2.gz AAOQXOJTFWLLOH-HIFRSBDPSA-N 0 3 262.784 3.869 20 30 CHEDHN C=CCCCCCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000566471559 334651293 /nfs/dbraw/zinc/65/12/93/334651293.db2.gz QXTGRDBNIMXVNT-MRXNPFEDSA-N 0 3 288.435 3.575 20 30 CHEDHN N#CCc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000567733672 334756589 /nfs/dbraw/zinc/75/65/89/334756589.db2.gz LGWGQPOXFVSNCF-GOSISDBHSA-N 0 3 280.346 3.669 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1 ZINC000567989144 334781864 /nfs/dbraw/zinc/78/18/64/334781864.db2.gz ZHCLOZCTXNBAIN-XKQJLSEDSA-N 0 3 295.373 3.723 20 30 CHEDHN CN(Cc1ccc(CC#N)cc1)Cc1cccc(F)c1 ZINC000342766443 335186648 /nfs/dbraw/zinc/18/66/48/335186648.db2.gz UWMUUJKIJKZAJD-UHFFFAOYSA-N 0 3 268.335 3.524 20 30 CHEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)CC[C@H]1C(F)(F)F ZINC000576685842 335234604 /nfs/dbraw/zinc/23/46/04/335234604.db2.gz BJWYOJCDAGVKJR-IJLUTSLNSA-N 0 3 274.330 3.589 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000576894261 335261642 /nfs/dbraw/zinc/26/16/42/335261642.db2.gz NEEGOBXTWXVCBR-DZGCQCFKSA-N 0 3 274.795 3.869 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000577215603 335324090 /nfs/dbraw/zinc/32/40/90/335324090.db2.gz BVELDHOKVLHIOV-CEXWTWQISA-N 0 3 295.430 3.821 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000577215605 335324246 /nfs/dbraw/zinc/32/42/46/335324246.db2.gz BVELDHOKVLHIOV-QRVBRYPASA-N 0 3 295.430 3.821 20 30 CHEDHN CCc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000577308996 335337861 /nfs/dbraw/zinc/33/78/61/335337861.db2.gz PARICQNTSVBESQ-LJQANCHMSA-N 0 3 276.383 3.898 20 30 CHEDHN Cc1cc([C@@H](C)NCc2ccc(CC#N)cc2)c(C)o1 ZINC000348096054 335411077 /nfs/dbraw/zinc/41/10/77/335411077.db2.gz OPHWQJCCJAVWHX-CYBMUJFWSA-N 0 3 268.360 3.813 20 30 CHEDHN N#CCCCCN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183551128 335897337 /nfs/dbraw/zinc/89/73/37/335897337.db2.gz IFXHQGBINQOGTM-QGZVFWFLSA-N 0 3 283.350 3.594 20 30 CHEDHN C[C@H](NC[C@H](C#N)CCC#N)[C@@H](C)C1CCCCC1 ZINC000185500697 335952738 /nfs/dbraw/zinc/95/27/38/335952738.db2.gz IJXCDKKUCISYMX-ILXRZTDVSA-N 0 3 261.413 3.624 20 30 CHEDHN N#Cc1cccc(C2(NC[C@H]3CCC4(CCCC4)O3)CC2)c1 ZINC000581203705 336024491 /nfs/dbraw/zinc/02/44/91/336024491.db2.gz YPBYFLXQRIVCNP-QGZVFWFLSA-N 0 3 296.414 3.629 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)C1CCCCC1)c1ccco1 ZINC000581256730 336033076 /nfs/dbraw/zinc/03/30/76/336033076.db2.gz ISIPAFQPBGLHSD-HOTGVXAUSA-N 0 3 277.408 3.818 20 30 CHEDHN CC(C)(CCNCc1ccc(C#N)cc1F)C1CC1 ZINC000381218089 336055303 /nfs/dbraw/zinc/05/53/03/336055303.db2.gz NEDXFDBTIFWUSR-UHFFFAOYSA-N 0 3 260.356 3.613 20 30 CHEDHN C=CC(C)(C)CN[C@@H](C)c1ccc(OC)cc1F ZINC000385154647 336141085 /nfs/dbraw/zinc/14/10/85/336141085.db2.gz KROKJSKDXHDPHJ-NSHDSACASA-N 0 3 251.345 3.697 20 30 CHEDHN C=C(C)CCN[C@@H](c1ccccc1)c1ccccn1 ZINC000386934935 336182571 /nfs/dbraw/zinc/18/25/71/336182571.db2.gz UOAMYOZZJXJSRR-KRWDZBQOSA-N 0 3 252.361 3.727 20 30 CHEDHN C=C(C)CN(CC)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000005966313 518596734 /nfs/dbraw/zinc/59/67/34/518596734.db2.gz SEIAJETWGVRJPY-CLFYSBASSA-N 0 3 260.337 3.506 20 30 CHEDHN CC(C#N)C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000354761411 534281996 /nfs/dbraw/zinc/28/19/96/534281996.db2.gz MISQJFGBARZSFB-KGLIPLIRSA-N 0 3 270.376 3.536 20 30 CHEDHN CC(C#N)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000347066661 534284432 /nfs/dbraw/zinc/28/44/32/534284432.db2.gz KKUITOFDBRSITK-BXUZGUMPSA-N 0 3 276.355 3.579 20 30 CHEDHN COc1ccc(C2CCN(CCC(C)(C)C#N)CC2)cc1 ZINC000554052706 518149136 /nfs/dbraw/zinc/14/91/36/518149136.db2.gz AXPNSMGSNMOMOV-UHFFFAOYSA-N 0 3 286.419 3.814 20 30 CHEDHN CCOc1cccc([C@@H](C)NCc2cccc(C#N)c2)c1 ZINC000068840260 521412009 /nfs/dbraw/zinc/41/20/09/521412009.db2.gz YVVMPYADCWSQIH-CQSZACIVSA-N 0 3 280.371 3.808 20 30 CHEDHN COCC[C@@H](c1ccccc1)N(C)Cc1cccc(C#N)c1 ZINC000339864225 521863831 /nfs/dbraw/zinc/86/38/31/521863831.db2.gz DCLQPKBFIJCBDM-IBGZPJMESA-N 0 3 294.398 3.768 20 30 CHEDHN COc1cc(CN[C@H](C)c2ccccc2C)ccc1C#N ZINC000234950409 522483337 /nfs/dbraw/zinc/48/33/37/522483337.db2.gz YFHBBWOHEIGVNW-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1[O-] ZINC000274786598 522559945 /nfs/dbraw/zinc/55/99/45/522559945.db2.gz QKFMLLGYNUONMW-KRWDZBQOSA-N 0 3 292.382 3.994 20 30 CHEDHN CC[C@H](N[C@@H](C)c1cccnc1)c1ccc(C#N)cc1 ZINC000278256010 522698645 /nfs/dbraw/zinc/69/86/45/522698645.db2.gz NDILOBFCWAQVTH-GUYCJALGSA-N 0 3 265.360 3.755 20 30 CHEDHN CC[C@H](N[C@H](COC)c1ccccc1)c1ccc(C#N)cc1 ZINC000278665358 522748410 /nfs/dbraw/zinc/74/84/10/522748410.db2.gz IZHYIOWZIZBXMP-RBUKOAKNSA-N 0 3 294.398 3.987 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000233899531 522872455 /nfs/dbraw/zinc/87/24/55/522872455.db2.gz ORBNKFODGXCUFK-QGZVFWFLSA-N 0 3 280.371 3.808 20 30 CHEDHN Cc1csc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000334890514 534819138 /nfs/dbraw/zinc/81/91/38/534819138.db2.gz OHTXHYIVYWBCNH-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN C[C@@H]1C[C@H](C)CCN(Cc2cccc(C#N)c2F)C1 ZINC000340924308 525372408 /nfs/dbraw/zinc/37/24/08/525372408.db2.gz WTFKMXSZWLODAE-CHWSQXEVSA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C#N)o1 ZINC000127567464 525464382 /nfs/dbraw/zinc/46/43/82/525464382.db2.gz SVNMNYXNYMRTOW-HIFRSBDPSA-N 0 3 266.344 3.529 20 30 CHEDHN C[C@H](NCc1cnc2ccccc2c1)c1cccc(C#N)c1 ZINC000337176119 525477670 /nfs/dbraw/zinc/47/76/70/525477670.db2.gz IPRRCBFMSUBBLX-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN Cc1cnc(C2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000277514832 525988316 /nfs/dbraw/zinc/98/83/16/525988316.db2.gz OVVQEJWMULXCCX-UHFFFAOYSA-N 0 3 297.427 3.703 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278610192 526035735 /nfs/dbraw/zinc/03/57/35/526035735.db2.gz FJMAUQGSFUJIEB-AAEUAGOBSA-N 0 3 282.309 3.894 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccs1 ZINC000265456396 526036477 /nfs/dbraw/zinc/03/64/77/526036477.db2.gz FJXKZXPHMZWDQK-LBPRGKRZSA-N 0 3 256.374 3.813 20 30 CHEDHN Cc1cncc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000274676543 526214242 /nfs/dbraw/zinc/21/42/42/526214242.db2.gz ZDFFQNGALMTWOA-UONOGXRCSA-N 0 3 265.360 3.674 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000279760517 526624175 /nfs/dbraw/zinc/62/41/75/526624175.db2.gz ZSBDQOZTHXBXFJ-DZGCQCFKSA-N 0 3 284.334 3.716 20 30 CHEDHN C=CCOCCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000347964861 526749805 /nfs/dbraw/zinc/74/98/05/526749805.db2.gz LMRBEPVDEQPJBA-WMLDXEAASA-N 0 3 289.419 3.960 20 30 CHEDHN C=C(CC)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000352762307 526850381 /nfs/dbraw/zinc/85/03/81/526850381.db2.gz FKHXBCUNPGZTBA-UHFFFAOYSA-N 0 3 287.329 3.505 20 30 CHEDHN C=CCOc1cccc(CN2CCS[C@H](C)[C@H]2C)c1 ZINC000353841643 526900790 /nfs/dbraw/zinc/90/07/90/526900790.db2.gz FGJCYWXBZKFHRT-ZIAGYGMSSA-N 0 3 277.433 3.577 20 30 CHEDHN C=CCOc1cccc(CN[C@@H]2CCc3c2cccc3O)c1 ZINC000105487335 526904124 /nfs/dbraw/zinc/90/41/24/526904124.db2.gz AZYORHVIGKWKCH-GOSISDBHSA-N 0 3 295.382 3.734 20 30 CHEDHN C=CCC[C@H](NCCCNc1ccccn1)c1ccco1 ZINC000353528156 527483677 /nfs/dbraw/zinc/48/36/77/527483677.db2.gz NRCXIJHHFYVARQ-HNNXBMFYSA-N 0 3 285.391 3.774 20 30 CHEDHN C=CCC[C@H](NCC1([C@H](O)C(C)C)CC1)c1ccco1 ZINC000353614390 527483872 /nfs/dbraw/zinc/48/38/72/527483872.db2.gz SOVHXAHDEDOUFI-GOEBONIOSA-N 0 3 277.408 3.674 20 30 CHEDHN CCOC1CC(CCN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000353295933 528494490 /nfs/dbraw/zinc/49/44/90/528494490.db2.gz XPZGLQQHBGQDTG-OPFPJEHXSA-N 0 3 290.382 3.553 20 30 CHEDHN CC[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccncc1 ZINC000127372094 1125460882 /nfs/dbraw/zinc/46/08/82/1125460882.db2.gz NGJKYDWOYJUTGZ-XBMUEBEBSA-N 0 3 291.398 3.746 20 30 CHEDHN CCC[C@@H]1CCCCN1Cc1cc(F)cc(C#N)c1 ZINC000213438884 1118777805 /nfs/dbraw/zinc/77/78/05/1118777805.db2.gz BLQUTNJKSKDFTA-MRXNPFEDSA-N 0 3 260.356 3.852 20 30 CHEDHN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000344101430 1121083394 /nfs/dbraw/zinc/08/33/94/1121083394.db2.gz HRFXGZHJDYGAMP-BDAKNGLRSA-N 0 3 274.261 3.689 20 30 CHEDHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000344101460 1121083414 /nfs/dbraw/zinc/08/34/14/1121083414.db2.gz HRFXGZHJDYGAMP-DTWKUNHWSA-N 0 3 274.261 3.689 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](CC)c1ccc(Cl)cc1Cl ZINC000320268852 1121287531 /nfs/dbraw/zinc/28/75/31/1121287531.db2.gz LLNVESJYIZALQS-SMDDNHRTSA-N 0 3 288.218 3.971 20 30 CHEDHN C#CCCCCCCN1CCCC[C@H]1c1cc(C)n[nH]1 ZINC001176486766 1121637184 /nfs/dbraw/zinc/63/71/84/1121637184.db2.gz WWWKVPVOUOWAPU-KRWDZBQOSA-N 0 3 273.424 3.829 20 30 CHEDHN C[C@@H](C1CC1)N(Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439443027 1122779782 /nfs/dbraw/zinc/77/97/82/1122779782.db2.gz UBSKDBAQDVGJCF-NSHDSACASA-N 0 3 274.795 3.975 20 30 CHEDHN CCCCCCCCCCOC(=O)N[C@@H]1CCN(C)C1 ZINC001194928004 1122822907 /nfs/dbraw/zinc/82/29/07/1122822907.db2.gz FPULRDQYRILMHL-OAHLLOKOSA-N 0 3 284.444 3.557 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC001195947737 1122900226 /nfs/dbraw/zinc/90/02/26/1122900226.db2.gz WKUWVAYFDJXKQQ-CYBMUJFWSA-N 0 3 274.795 4.000 20 30 CHEDHN CCCCCCCCN1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC001198239496 1122985172 /nfs/dbraw/zinc/98/51/72/1122985172.db2.gz DLOHKKOUXKORRH-IRXDYDNUSA-N 0 3 283.456 3.617 20 30 CHEDHN C=CCSCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449131560 1124652977 /nfs/dbraw/zinc/65/29/77/1124652977.db2.gz NSZXIZTXJWXEKT-LLVKDONJSA-N 0 3 287.350 3.600 20 30 CHEDHN C#CCCCCCCNCc1nc(C2CC2)cs1 ZINC000877109560 1125011066 /nfs/dbraw/zinc/01/10/66/1125011066.db2.gz AWKKOMBVSBSKDK-UHFFFAOYSA-N 0 3 262.422 3.694 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2C(C)C)c1[O-] ZINC001138630501 1131528999 /nfs/dbraw/zinc/52/89/99/1131528999.db2.gz XYTBKQAOVMIDSF-INIZCTEOSA-N 0 3 259.393 3.741 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2C(C)C)c1[O-] ZINC001138630501 1131529002 /nfs/dbraw/zinc/52/90/02/1131529002.db2.gz XYTBKQAOVMIDSF-INIZCTEOSA-N 0 3 259.393 3.741 20 30 CHEDHN CCCCCCC[C@H](CC)N1CC(N2CC[C@H](F)C2)C1 ZINC001172355926 1132186067 /nfs/dbraw/zinc/18/60/67/1132186067.db2.gz SFKDUOMLUGPJHP-HOTGVXAUSA-N 0 3 284.463 3.854 20 30 CHEDHN CCCCCCC[C@@H](CCC)N1CC2(CCO2)C1 ZINC001172511493 1132258904 /nfs/dbraw/zinc/25/89/04/1132258904.db2.gz RTLZCORZXODUEJ-OAHLLOKOSA-N 0 3 253.430 3.990 20 30 CHEDHN C=CCCCCCCCCN1CCc2c(cnn2C)C1 ZINC001209445528 1134024084 /nfs/dbraw/zinc/02/40/84/1134024084.db2.gz KYTGUVXBZRBLNY-UHFFFAOYSA-N 0 3 275.440 3.695 20 30 CHEDHN CCCCCCCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000311370133 1135128970 /nfs/dbraw/zinc/12/89/70/1135128970.db2.gz RDFRJHAYRUECQR-ZDUSSCGKSA-N 0 3 281.362 3.736 20 30 CHEDHN CCc1nc2c(s1)[C@H](N(C)CCC(C)(C)C#N)CCC2 ZINC000119985477 1125540612 /nfs/dbraw/zinc/54/06/12/1125540612.db2.gz NAQGCLYXDCJAHR-CYBMUJFWSA-N 0 3 291.464 3.955 20 30 CHEDHN CN(Cc1cnn(-c2ccccc2)c1)CC(C)(C)CCC#N ZINC000121364570 1125558675 /nfs/dbraw/zinc/55/86/75/1125558675.db2.gz OWGVYGSRAIUMSC-UHFFFAOYSA-N 0 3 296.418 3.634 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000237608336 1125565710 /nfs/dbraw/zinc/56/57/10/1125565710.db2.gz CYPKUFOPLLWXMX-DYVFJYSZSA-N 0 3 296.370 3.738 20 30 CHEDHN N#CC(C(=O)CC1CCCCCC1)c1ccccn1 ZINC000135833562 1125601673 /nfs/dbraw/zinc/60/16/73/1125601673.db2.gz HPZXOMRZKITHSL-AWEZNQCLSA-N 0 3 256.349 3.618 20 30 CHEDHN C#CCCCCNCc1nc(-c2ccccc2)cs1 ZINC000150729981 1125613366 /nfs/dbraw/zinc/61/33/66/1125613366.db2.gz XZSJDTNTQXTIAT-UHFFFAOYSA-N 0 3 270.401 3.703 20 30 CHEDHN CC1(C)CN(C[C@@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886072888 1125644909 /nfs/dbraw/zinc/64/49/09/1125644909.db2.gz OCWPTPDKIMQTAE-DLBZAZTESA-N 0 3 298.430 3.514 20 30 CHEDHN Cc1n[nH]c(CN[C@@H](CCCC#N)c2ccccc2)c1C ZINC000886124899 1125652375 /nfs/dbraw/zinc/65/23/75/1125652375.db2.gz DBDUVSMKQGIDCZ-INIZCTEOSA-N 0 3 282.391 3.551 20 30 CHEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886608544 1125696942 /nfs/dbraw/zinc/69/69/42/1125696942.db2.gz AQBJOELEAOQHHE-GJZGRUSLSA-N 0 3 294.320 3.723 20 30 CHEDHN CC(C)Oc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000037502742 1125711659 /nfs/dbraw/zinc/71/16/59/1125711659.db2.gz NYJJVEUZIORKKI-UHFFFAOYSA-N 0 3 280.371 3.635 20 30 CHEDHN CCCC[C@@H](COC)N[C@H](CCC#N)c1ccccc1 ZINC000090665299 1125743641 /nfs/dbraw/zinc/74/36/41/1125743641.db2.gz WHINXKKRHNSEEF-DLBZAZTESA-N 0 3 274.408 3.826 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(OC)cc1 ZINC000192147924 1125757708 /nfs/dbraw/zinc/75/77/08/1125757708.db2.gz MJFHTXGLUZWBOF-SFHVURJKSA-N 0 3 298.361 3.947 20 30 CHEDHN CC[C@H](C#N)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000122231501 1125784899 /nfs/dbraw/zinc/78/48/99/1125784899.db2.gz MVMNQQRHHPQRGM-OAHLLOKOSA-N 0 3 271.408 3.762 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2ncc(C)s2)C1 ZINC000651729598 1129745537 /nfs/dbraw/zinc/74/55/37/1129745537.db2.gz LJPUUOVQWLTAAW-JHJVBQTASA-N 0 3 250.411 3.847 20 30 CHEDHN C=CCN(CCCO[C@@H]1CCCCO1)Cc1cccs1 ZINC000338262258 1126728658 /nfs/dbraw/zinc/72/86/58/1126728658.db2.gz HWIOYHRMZVPKHE-MRXNPFEDSA-N 0 3 295.448 3.669 20 30 CHEDHN C=CCc1cc(CN2CCC(C)=C(C)C2)cc(OC)c1O ZINC000482453151 1126757496 /nfs/dbraw/zinc/75/74/96/1126757496.db2.gz CBYRDYCGSFABSU-UHFFFAOYSA-N 0 3 287.403 3.671 20 30 CHEDHN CC(C)(CCC#N)CNCc1nc(C(F)(F)F)cs1 ZINC000174422075 1126770098 /nfs/dbraw/zinc/77/00/98/1126770098.db2.gz KKIYPEAYBLHJGR-UHFFFAOYSA-N 0 3 291.342 3.581 20 30 CHEDHN Fc1ccc([C@@H]2CCN(CC#Cc3ccccc3)C2)cc1 ZINC000483096039 1126766597 /nfs/dbraw/zinc/76/65/97/1126766597.db2.gz BZPHWEBPJCWWHJ-GOSISDBHSA-N 0 3 279.358 3.667 20 30 CHEDHN N#Cc1ccc(F)c(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000483102677 1126767710 /nfs/dbraw/zinc/76/77/10/1126767710.db2.gz XHFGMFNLKCAFKA-HNNXBMFYSA-N 0 3 298.336 3.826 20 30 CHEDHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000429573272 1126777148 /nfs/dbraw/zinc/77/71/48/1126777148.db2.gz YTSAYGHJTQMUBD-BXUZGUMPSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@@H](Cc1ccccc1Cl)N1CCC[C@H](CC#N)C1 ZINC001170283388 1130479852 /nfs/dbraw/zinc/47/98/52/1130479852.db2.gz KSBIXRLFABJZCD-UONOGXRCSA-N 0 3 276.811 3.897 20 30 CHEDHN C=CCN(CCOC)Cc1ccc(C(F)(F)F)cc1C ZINC000483433190 1126787381 /nfs/dbraw/zinc/78/73/81/1126787381.db2.gz STGIJKDMPGUMJW-UHFFFAOYSA-N 0 3 287.325 3.648 20 30 CHEDHN C=CCN(CC(=O)N(C(C)C)C(C)C)CC1CCCCC1 ZINC000484492354 1126819293 /nfs/dbraw/zinc/81/92/93/1126819293.db2.gz WYWMADKNYIJECW-UHFFFAOYSA-N 0 3 294.483 3.700 20 30 CHEDHN N#CC1(CN[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000484629253 1126837049 /nfs/dbraw/zinc/83/70/49/1126837049.db2.gz AEVFRFPPUNSDAF-HOTGVXAUSA-N 0 3 254.377 3.606 20 30 CHEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1C ZINC000181609849 1126858417 /nfs/dbraw/zinc/85/84/17/1126858417.db2.gz FZFNDXUBKCIIHL-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN CCC[C@@H](NCCCC#N)c1ccc(F)cc1F ZINC000181680975 1126860114 /nfs/dbraw/zinc/86/01/14/1126860114.db2.gz KQIAFLWDQYDBNZ-CQSZACIVSA-N 0 3 252.308 3.699 20 30 CHEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cccnc1 ZINC000182885178 1126878989 /nfs/dbraw/zinc/87/89/89/1126878989.db2.gz CPXGURIDOXLNLU-CQSZACIVSA-N 0 3 279.387 3.734 20 30 CHEDHN Cc1cc(C)c(/C=C/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000905083143 1126889363 /nfs/dbraw/zinc/88/93/63/1126889363.db2.gz BWQIEHRBIRYEMZ-FKVVJADZSA-N 0 3 293.370 3.600 20 30 CHEDHN COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000189346259 1126931143 /nfs/dbraw/zinc/93/11/43/1126931143.db2.gz KZAVOAOODMAFMM-AWEZNQCLSA-N 0 3 280.371 3.760 20 30 CHEDHN CCN(Cc1ccc(C#N)o1)[C@@H](C)Cc1ccsc1 ZINC000190260371 1126940506 /nfs/dbraw/zinc/94/05/06/1126940506.db2.gz MFOQDAGECGCOCW-LBPRGKRZSA-N 0 3 274.389 3.666 20 30 CHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(F)c(Cl)c1 ZINC000190863250 1126945711 /nfs/dbraw/zinc/94/57/11/1126945711.db2.gz IICWBBBLMZGOJD-SNVBAGLBSA-N 0 3 291.757 3.540 20 30 CHEDHN N#CCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485859059 1126958448 /nfs/dbraw/zinc/95/84/48/1126958448.db2.gz LUVLSJLCQIRORH-BRWVUGGUSA-N 0 3 254.377 3.558 20 30 CHEDHN N#CCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485859056 1126958490 /nfs/dbraw/zinc/95/84/90/1126958490.db2.gz LUVLSJLCQIRORH-BBWFWOEESA-N 0 3 254.377 3.558 20 30 CHEDHN CCCCC[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000486790156 1127003021 /nfs/dbraw/zinc/00/30/21/1127003021.db2.gz FEBHWKJKZGXMKU-QGZVFWFLSA-N 0 3 299.418 3.541 20 30 CHEDHN C=CCO[C@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC001320039790 1127008662 /nfs/dbraw/zinc/00/86/62/1127008662.db2.gz QBMPELHNNUFVSF-WFASDCNBSA-N 0 3 265.784 3.678 20 30 CHEDHN C=CCOc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000668713879 1127012795 /nfs/dbraw/zinc/01/27/95/1127012795.db2.gz BORRUKBEQONNCD-UHFFFAOYSA-N 0 3 298.386 3.619 20 30 CHEDHN COc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1C ZINC000269618410 1127043624 /nfs/dbraw/zinc/04/36/24/1127043624.db2.gz PGJMWKJKPWMWKY-UHFFFAOYSA-N 0 3 292.382 3.654 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1)[C@@H](C)c1cccnc1 ZINC000270654053 1127059640 /nfs/dbraw/zinc/05/96/40/1127059640.db2.gz MNPHUWJYMVAAGV-AWEZNQCLSA-N 0 3 265.360 3.536 20 30 CHEDHN Cc1cc(CN2CCC[C@@H]2c2cccn2C)ccc1C#N ZINC000488197421 1127062110 /nfs/dbraw/zinc/06/21/10/1127062110.db2.gz GNPJWZJTHNQURE-GOSISDBHSA-N 0 3 279.387 3.542 20 30 CHEDHN C=C[C@H]1CCCCN1CCOc1ccccc1OCC ZINC000489427433 1127103073 /nfs/dbraw/zinc/10/30/73/1127103073.db2.gz NVQKIWPZWUCKBG-HNNXBMFYSA-N 0 3 275.392 3.505 20 30 CHEDHN COc1cccc2c1CN(CCCCC1(C#N)CCC1)CC2 ZINC001307773967 1127142538 /nfs/dbraw/zinc/14/25/38/1127142538.db2.gz UDWIEFKMUJXNHH-UHFFFAOYSA-N 0 3 298.430 3.917 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000349338776 1127148424 /nfs/dbraw/zinc/14/84/24/1127148424.db2.gz ATIPUEOMVCDWMW-ZLDLUXBVSA-N 0 3 290.794 3.836 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cc(C)cc(C)c2Cl)C1 ZINC001237702223 1131130069 /nfs/dbraw/zinc/13/00/69/1131130069.db2.gz PTKJMBRCIINWQE-CQSZACIVSA-N 0 3 261.796 3.802 20 30 CHEDHN C=C(C)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000351768591 1127208477 /nfs/dbraw/zinc/20/84/77/1127208477.db2.gz XUDNJDGVMKBEQZ-UHFFFAOYSA-N 0 3 260.337 3.525 20 30 CHEDHN C[C@@H]1C[C@@H](C)CN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237751076 1131137719 /nfs/dbraw/zinc/13/77/19/1131137719.db2.gz GADPLUWOSXPNOW-VXGBXAGGSA-N 0 3 262.784 3.690 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000285036872 1127215352 /nfs/dbraw/zinc/21/53/52/1127215352.db2.gz HXLXSPOBXUDKNE-MPGHIAIKSA-N 0 3 289.419 3.641 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000589502509 1127223526 /nfs/dbraw/zinc/22/35/26/1127223526.db2.gz YEJRJAWMHRGVPT-QWRGUYRKSA-N 0 3 282.309 3.665 20 30 CHEDHN C=CCN(Cc1ccccc1C(=O)OCC)C(C)(C)C ZINC001237887601 1131149099 /nfs/dbraw/zinc/14/90/99/1131149099.db2.gz AMCUOUIRQBSHOJ-UHFFFAOYSA-N 0 3 275.392 3.650 20 30 CHEDHN C[C@@H](c1nc2ccccc2s1)N(C)CCCCC#N ZINC000057620422 1127268272 /nfs/dbraw/zinc/26/82/72/1127268272.db2.gz RBTSSSLHRASAPN-LBPRGKRZSA-N 0 3 273.405 3.983 20 30 CHEDHN CCC(C)(C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354458640 1127308903 /nfs/dbraw/zinc/30/89/03/1127308903.db2.gz CCKQRPJFFJWNSQ-HNNXBMFYSA-N 0 3 293.370 3.654 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@H]1CCCC[C@H]1c1ccccc1 ZINC000591728610 1127315600 /nfs/dbraw/zinc/31/56/00/1127315600.db2.gz YHCMVDRRJUJURZ-NJAFHUGGSA-N 0 3 281.403 3.746 20 30 CHEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C1(CC)CC ZINC000355138091 1127320316 /nfs/dbraw/zinc/32/03/16/1127320316.db2.gz SBLHLKQFUMAROR-JKSUJKDBSA-N 0 3 290.407 3.567 20 30 CHEDHN Cc1cnc(CCN[C@@H](C)c2ccc(C#N)cc2F)c(C)c1 ZINC000592099746 1127335696 /nfs/dbraw/zinc/33/56/96/1127335696.db2.gz NFLVFTLDFMXXNP-AWEZNQCLSA-N 0 3 297.377 3.603 20 30 CHEDHN N#CCSCCCNC1(c2ccccc2Cl)CC1 ZINC000592137689 1127336790 /nfs/dbraw/zinc/33/67/90/1127336790.db2.gz OGVISJNGZPAPHF-UHFFFAOYSA-N 0 3 280.824 3.566 20 30 CHEDHN N#C[C@H]1CCC[C@H](NC2(c3ccccc3F)CCC2)C1 ZINC000592398612 1127345377 /nfs/dbraw/zinc/34/53/77/1127345377.db2.gz ZEANBVQGHJTGGS-KBPBESRZSA-N 0 3 272.367 3.877 20 30 CHEDHN N#CCCCN1CCCC[C@H]1Cc1ccccc1F ZINC000593084300 1127373414 /nfs/dbraw/zinc/37/34/14/1127373414.db2.gz ROISSFUOGMBYII-HNNXBMFYSA-N 0 3 260.356 3.526 20 30 CHEDHN Cc1c2cccc(C)c2oc1CN(C)CCCC#N ZINC000593087448 1127373428 /nfs/dbraw/zinc/37/34/28/1127373428.db2.gz JZSSZARUXAXMQK-UHFFFAOYSA-N 0 3 256.349 3.785 20 30 CHEDHN C#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000289270479 1127378897 /nfs/dbraw/zinc/37/88/97/1127378897.db2.gz NLQJZLFIFIIYTQ-PMACEKPBSA-N 0 3 291.394 3.678 20 30 CHEDHN C[C@@H](CCC#N)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000593966420 1127404391 /nfs/dbraw/zinc/40/43/91/1127404391.db2.gz CSHWUTOXUBMPID-AWEZNQCLSA-N 0 3 272.367 3.997 20 30 CHEDHN Cc1cc(OCc2ccc(F)cc2C#N)c(C)c(C)n1 ZINC000594491408 1127418503 /nfs/dbraw/zinc/41/85/03/1127418503.db2.gz FPQUAPWUJZNDCZ-UHFFFAOYSA-N 0 3 270.307 3.597 20 30 CHEDHN C[C@@H]1CCCCCN1Cc1cn2ccccc2c1C#N ZINC000358403711 1127419833 /nfs/dbraw/zinc/41/98/33/1127419833.db2.gz WRPIXZGCVCZKTB-CQSZACIVSA-N 0 3 267.376 3.575 20 30 CHEDHN C=CCCSCCNCc1cscc1Cl ZINC000594960161 1127440812 /nfs/dbraw/zinc/44/08/12/1127440812.db2.gz LQVOEQLTEZOAPQ-UHFFFAOYSA-N 0 3 261.843 3.800 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1ncccc1CC ZINC000595057799 1127446938 /nfs/dbraw/zinc/44/69/38/1127446938.db2.gz FAVBISMJGVOFDT-ZDUSSCGKSA-N 0 3 264.438 3.604 20 30 CHEDHN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000359552032 1127467466 /nfs/dbraw/zinc/46/74/66/1127467466.db2.gz GAKFYKHYGAZWGG-CXAGYDPISA-N 0 3 272.367 3.709 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000595602063 1127469252 /nfs/dbraw/zinc/46/92/52/1127469252.db2.gz GZYVKJAQOMBXQS-CZUORRHYSA-N 0 3 299.374 3.691 20 30 CHEDHN N#CC[C@H]1CCCN(CCCOc2cccc(Cl)c2)C1 ZINC000595613540 1127470461 /nfs/dbraw/zinc/47/04/61/1127470461.db2.gz FBRGAELDLJWDOR-CQSZACIVSA-N 0 3 292.810 3.735 20 30 CHEDHN N#CCCCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595672869 1127471812 /nfs/dbraw/zinc/47/18/12/1127471812.db2.gz CJEXQSYEXHINCL-HNNXBMFYSA-N 0 3 258.365 3.891 20 30 CHEDHN N#CCCCCN1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711037 1127473594 /nfs/dbraw/zinc/47/35/94/1127473594.db2.gz DPVRKBUTFSQSOD-UHFFFAOYSA-N 0 3 297.427 3.862 20 30 CHEDHN CC1(C)C[C@@]1(NCc1cccc(C#N)c1)c1ccccc1 ZINC000595908042 1127479882 /nfs/dbraw/zinc/47/98/82/1127479882.db2.gz DXUQMIHHUIBHEX-LJQANCHMSA-N 0 3 276.383 3.973 20 30 CHEDHN CCCN(Cc1ccccc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000595781182 1127476656 /nfs/dbraw/zinc/47/66/56/1127476656.db2.gz ACBGQRKTQSMQDB-DZGCQCFKSA-N 0 3 260.356 3.730 20 30 CHEDHN N#C[C@H]1CC[C@H](N2CCC(=Cc3ccccc3F)CC2)C1 ZINC000292738019 1127478886 /nfs/dbraw/zinc/47/88/86/1127478886.db2.gz HCMGVGSVQNFNBA-RDJZCZTQSA-N 0 3 284.378 3.997 20 30 CHEDHN CC[C@@H](Cc1ccc(Cl)cc1)NCC(C)(C)C#N ZINC000597084388 1127527201 /nfs/dbraw/zinc/52/72/01/1127527201.db2.gz ZBEJZWNPKSYYQR-AWEZNQCLSA-N 0 3 264.800 3.800 20 30 CHEDHN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@H](C)C#N ZINC000597081529 1127527591 /nfs/dbraw/zinc/52/75/91/1127527591.db2.gz BTLDZIMKCOHRKS-RISCZKNCSA-N 0 3 284.325 3.776 20 30 CHEDHN COCc1ccccc1/C=C(/C)CN1CCC[C@H](CC#N)C1 ZINC000597175321 1127532392 /nfs/dbraw/zinc/53/23/92/1127532392.db2.gz AVKJEMXREXWMFO-TXQCQQFXSA-N 0 3 298.430 3.862 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccc3c(c2)CCCC3)C1 ZINC000597177456 1127532646 /nfs/dbraw/zinc/53/26/46/1127532646.db2.gz MMVPNWJYPGKFGA-HNNXBMFYSA-N 0 3 268.404 3.691 20 30 CHEDHN C[C@H](CCC#N)CN(C)Cc1ccccc1Br ZINC000602435981 1127578602 /nfs/dbraw/zinc/57/86/02/1127578602.db2.gz XBFKUHSQTAVMCP-GFCCVEGCSA-N 0 3 295.224 3.821 20 30 CHEDHN C[C@H](CCC#N)CN(C)Cc1ccccc1Cl ZINC000602436180 1127578854 /nfs/dbraw/zinc/57/88/54/1127578854.db2.gz YAWHZPPZFGAYCO-GFCCVEGCSA-N 0 3 250.773 3.712 20 30 CHEDHN C[C@@H]1CC[C@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000361765572 1127588131 /nfs/dbraw/zinc/58/81/31/1127588131.db2.gz KWIVGFQTBYXHAK-DYVFJYSZSA-N 0 3 272.367 3.709 20 30 CHEDHN CC(C)COC[C@@H](NC[C@@H](C)CCC#N)c1ccco1 ZINC000602529315 1127591557 /nfs/dbraw/zinc/59/15/57/1127591557.db2.gz GAWHKVKTQNLNKS-LSDHHAIUSA-N 0 3 278.396 3.523 20 30 CHEDHN C[C@@H]1CCCc2ccccc2[C@@H]1NCc1cccc(C#N)n1 ZINC000602619517 1127597303 /nfs/dbraw/zinc/59/73/03/1127597303.db2.gz WQFQACKXZYIKCL-AUUYWEPGSA-N 0 3 291.398 3.757 20 30 CHEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@H]1CC1(F)F ZINC000602581219 1127596873 /nfs/dbraw/zinc/59/68/73/1127596873.db2.gz ISTVUEKZHBGLRP-YUTCNCBUSA-N 0 3 264.319 3.665 20 30 CHEDHN C[C@H](CCc1c[nH]c2ccccc12)NCC(C)(C)C#N ZINC000602616266 1127597549 /nfs/dbraw/zinc/59/75/49/1127597549.db2.gz TWKWYHUQYLXKOB-CYBMUJFWSA-N 0 3 269.392 3.628 20 30 CHEDHN C[C@H](CCC#N)CN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000602642004 1127599780 /nfs/dbraw/zinc/59/97/80/1127599780.db2.gz WXMPALQAMNOYAU-RKDXNWHRSA-N 0 3 291.342 3.752 20 30 CHEDHN N#CCCC[C@@H](NCc1cccc(F)c1N)c1ccccc1 ZINC000602668122 1127603455 /nfs/dbraw/zinc/60/34/55/1127603455.db2.gz BQTKVGXSJTXIPO-QGZVFWFLSA-N 0 3 297.377 3.933 20 30 CHEDHN CCOc1ccc([C@@H]2CCCN2CC2(CC#N)CC2)cc1 ZINC000602756265 1127612604 /nfs/dbraw/zinc/61/26/04/1127612604.db2.gz MFGPKPGZKLPHLY-KRWDZBQOSA-N 0 3 284.403 3.916 20 30 CHEDHN CC1(F)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000602744194 1127609263 /nfs/dbraw/zinc/60/92/63/1127609263.db2.gz XBMWAWXHKRJNOM-UHFFFAOYSA-N 0 3 290.382 3.693 20 30 CHEDHN C[C@H]1CCN(CC2(CC#N)CC2)[C@H](c2ccco2)C1 ZINC000602783624 1127613701 /nfs/dbraw/zinc/61/37/01/1127613701.db2.gz PRLJXJJNIJNCMG-KBPBESRZSA-N 0 3 258.365 3.746 20 30 CHEDHN CC(C)Oc1ccccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000602802992 1127615282 /nfs/dbraw/zinc/61/52/82/1127615282.db2.gz UHAIADJKNRPJLC-CQSZACIVSA-N 0 3 272.392 3.818 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2cccs2)cc1C#N ZINC000599359456 1127669835 /nfs/dbraw/zinc/66/98/35/1127669835.db2.gz QXNFWUIOVBATRO-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN Cc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1C#N ZINC000599360994 1127670067 /nfs/dbraw/zinc/67/00/67/1127670067.db2.gz DJSPHFYYAWAXDZ-SFHVURJKSA-N 0 3 277.371 3.503 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2ccsc2)cc1C#N ZINC000599400865 1127670440 /nfs/dbraw/zinc/67/04/40/1127670440.db2.gz GGEMICRTQRYUAF-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN CC(C)c1ccc(OC2CCN(CCCC#N)CC2)cc1 ZINC000603850429 1127676956 /nfs/dbraw/zinc/67/69/56/1127676956.db2.gz CNUYPEFFMAQIBZ-UHFFFAOYSA-N 0 3 286.419 3.957 20 30 CHEDHN C/C=C/C[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000599692794 1127687482 /nfs/dbraw/zinc/68/74/82/1127687482.db2.gz XRALEJJHXAYSMU-IBUXWKBASA-N 0 3 260.406 3.798 20 30 CHEDHN C#C[C@H](CC)NCc1ccc(Br)c(Cl)c1 ZINC000229895665 1127713980 /nfs/dbraw/zinc/71/39/80/1127713980.db2.gz OIOYQXMOROKAOI-SNVBAGLBSA-N 0 3 286.600 3.604 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000171733975 1127726906 /nfs/dbraw/zinc/72/69/06/1127726906.db2.gz DXHGPCLYVPXUGK-CQSZACIVSA-N 0 3 298.361 3.887 20 30 CHEDHN N#CCC1(CN[C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000366816930 1127747788 /nfs/dbraw/zinc/74/77/88/1127747788.db2.gz BYCQZQHAZTXACK-CQSZACIVSA-N 0 3 290.794 3.837 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC1CC1 ZINC000409446041 1127769518 /nfs/dbraw/zinc/76/95/18/1127769518.db2.gz WQBAPIRTQJAUBG-SJORKVTESA-N 0 3 254.377 3.558 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](OC2CCC2)C1 ZINC000594026131 1127770366 /nfs/dbraw/zinc/77/03/66/1127770366.db2.gz DHRRWUWPHSJEOM-KDOFPFPSSA-N 0 3 284.403 3.653 20 30 CHEDHN N#Cc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594033156 1127773299 /nfs/dbraw/zinc/77/32/99/1127773299.db2.gz XDLZRXBPIKCQAD-UHFFFAOYSA-N 0 3 287.366 3.599 20 30 CHEDHN N#Cc1ccc(C2(NCc3cccc(C#N)c3)CCC2)cc1 ZINC000594032695 1127773842 /nfs/dbraw/zinc/77/38/42/1127773842.db2.gz LISPWMXERBAOLV-UHFFFAOYSA-N 0 3 287.366 3.599 20 30 CHEDHN C[C@H](NCc1ccc2cccnc2c1)c1ccc(C#N)cc1 ZINC000608982577 1127896501 /nfs/dbraw/zinc/89/65/01/1127896501.db2.gz SKZVCDWTQVYHAB-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN C[C@@H](NCc1ccc2cccnc2c1)c1ccc(C#N)cc1 ZINC000608982579 1127896810 /nfs/dbraw/zinc/89/68/10/1127896810.db2.gz SKZVCDWTQVYHAB-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1F ZINC000429791398 1127904530 /nfs/dbraw/zinc/90/45/30/1127904530.db2.gz ATJSSJPQMNLCAI-CQSZACIVSA-N 0 3 264.319 3.699 20 30 CHEDHN N#Cc1cncc(CN2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000929488664 1127910848 /nfs/dbraw/zinc/91/08/48/1127910848.db2.gz CZUVQEPSKUMLMK-LJQANCHMSA-N 0 3 291.398 3.723 20 30 CHEDHN C[C@@H]1CN(CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000471049564 1127997032 /nfs/dbraw/zinc/99/70/32/1127997032.db2.gz ZWWCJVMQAIPCAP-DNVCBOLYSA-N 0 3 292.382 3.630 20 30 CHEDHN N#CCC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000540995178 1128004422 /nfs/dbraw/zinc/00/44/22/1128004422.db2.gz AWGRTYTZSRYGAB-UHFFFAOYSA-N 0 3 284.403 3.601 20 30 CHEDHN C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000271868244 1128072818 /nfs/dbraw/zinc/07/28/18/1128072818.db2.gz MANAIIMAIPUNEW-KXBFYZLASA-N 0 3 294.398 3.723 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470953421 1128084203 /nfs/dbraw/zinc/08/42/03/1128084203.db2.gz ONAFVAZLNLPIET-JTNHKYCSSA-N 0 3 282.309 3.892 20 30 CHEDHN CCC(C)(C)N(C)Cc1ccc(Cl)cc1C#N ZINC000471068119 1128086817 /nfs/dbraw/zinc/08/68/17/1128086817.db2.gz BLSDBORQKQBBMW-UHFFFAOYSA-N 0 3 250.773 3.832 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc(F)c(F)c1 ZINC000924532782 1128102079 /nfs/dbraw/zinc/10/20/79/1128102079.db2.gz URLCBEVUMWILES-GHMZBOCLSA-N 0 3 266.335 3.944 20 30 CHEDHN CCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1F ZINC000443961655 1128103227 /nfs/dbraw/zinc/10/32/27/1128103227.db2.gz PQMSTSKWLLSMFX-UHFFFAOYSA-N 0 3 298.361 3.694 20 30 CHEDHN Cc1ccsc1CNCc1ccc(C#N)c(C)c1 ZINC000443978286 1128108105 /nfs/dbraw/zinc/10/81/05/1128108105.db2.gz HCWYWFAJVMPLRS-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1F ZINC000487653721 1128115451 /nfs/dbraw/zinc/11/54/51/1128115451.db2.gz LHRFNMAUXBVMON-ZDUSSCGKSA-N 0 3 298.361 3.899 20 30 CHEDHN N#CCCN[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000443071307 1128127915 /nfs/dbraw/zinc/12/79/15/1128127915.db2.gz PVDGKMSSKPNYBP-GXTWGEPZSA-N 0 3 282.309 3.845 20 30 CHEDHN CC[C@@H](N[C@H](C)CC(C)(C)C#N)c1c(C)noc1C ZINC000925637427 1128134672 /nfs/dbraw/zinc/13/46/72/1128134672.db2.gz LCOVJMBLVRWRNJ-ZWNOBZJWSA-N 0 3 263.385 3.661 20 30 CHEDHN COCC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccc(C)o1 ZINC000926110027 1128155061 /nfs/dbraw/zinc/15/50/61/1128155061.db2.gz PBTGERGBIFNLNW-TZMCWYRMSA-N 0 3 278.396 3.584 20 30 CHEDHN COC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000926312309 1128166496 /nfs/dbraw/zinc/16/64/96/1128166496.db2.gz KQDWRVYHHQDHJU-SWLSCSKDSA-N 0 3 294.826 3.945 20 30 CHEDHN CC(C)(CCC#N)CN[C@@H]1COCc2cccc(Cl)c21 ZINC000926426416 1128171945 /nfs/dbraw/zinc/17/19/45/1128171945.db2.gz DICVYRKHCHLKOL-CQSZACIVSA-N 0 3 292.810 3.831 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926493232 1128175321 /nfs/dbraw/zinc/17/53/21/1128175321.db2.gz PYLPBUPCBBSJRJ-NEPJUHHUSA-N 0 3 275.352 3.574 20 30 CHEDHN N#CC[C@@H]1CC[C@H](N[C@H]2COCc3cccc(Cl)c32)C1 ZINC000926513291 1128177813 /nfs/dbraw/zinc/17/78/13/1128177813.db2.gz LVJFGHJXANHUCS-WHOFXGATSA-N 0 3 290.794 3.583 20 30 CHEDHN Cc1cccc2c1[C@H](NCc1ccc(C#N)c(F)c1)CC2 ZINC000926549162 1128179750 /nfs/dbraw/zinc/17/97/50/1128179750.db2.gz DKANYYANZOUCDM-QGZVFWFLSA-N 0 3 280.346 3.783 20 30 CHEDHN COc1ccccc1C1(N[C@H](C)CC(C)(C)C#N)CC1 ZINC000926633221 1128184595 /nfs/dbraw/zinc/18/45/95/1128184595.db2.gz PZZXICLRIOXKPH-CYBMUJFWSA-N 0 3 272.392 3.602 20 30 CHEDHN C[C@H](Cc1cccc(F)c1)N1CCc2cc(C#N)ccc2C1 ZINC001168481892 1128250485 /nfs/dbraw/zinc/25/04/85/1128250485.db2.gz RQGOCOOBABWCPY-CQSZACIVSA-N 0 3 294.373 3.687 20 30 CHEDHN N#CC1(CCCCN2CCc3sccc3C2)CCC1 ZINC000929199355 1128263967 /nfs/dbraw/zinc/26/39/67/1128263967.db2.gz QZLBLCCJKCJTBJ-UHFFFAOYSA-N 0 3 274.433 3.970 20 30 CHEDHN N#Cc1cncc(CN(Cc2ccccc2)CC2CCC2)c1 ZINC000929339920 1128270516 /nfs/dbraw/zinc/27/05/16/1128270516.db2.gz QWORBFOZSCZHCB-UHFFFAOYSA-N 0 3 291.398 3.756 20 30 CHEDHN C[C@H]1CN(CC2CCC(C#N)CC2)[C@@H](c2ccccc2)CO1 ZINC000929760002 1128285140 /nfs/dbraw/zinc/28/51/40/1128285140.db2.gz NBUXRYJJGNKTQB-BOMAWHNGSA-N 0 3 298.430 3.778 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000930203523 1128307596 /nfs/dbraw/zinc/30/75/96/1128307596.db2.gz XIEIUHYUCNBESX-HNNXBMFYSA-N 0 3 289.382 3.898 20 30 CHEDHN C=CCC[C@H](NCc1[nH]c(C)nc1C)c1ccccc1 ZINC000930227334 1128308870 /nfs/dbraw/zinc/30/88/70/1128308870.db2.gz FQLDOTMPMGACRW-INIZCTEOSA-N 0 3 269.392 3.824 20 30 CHEDHN N#Cc1cncc(CN[C@H](CC2CCC2)c2ccccc2)c1 ZINC000930246050 1128310342 /nfs/dbraw/zinc/31/03/42/1128310342.db2.gz YSGMSZJRNHFQBM-LJQANCHMSA-N 0 3 291.398 3.974 20 30 CHEDHN C[C@@]1(F)CCCN(CCCCC2(C#N)CCC2)C1 ZINC000930594435 1128327749 /nfs/dbraw/zinc/32/77/49/1128327749.db2.gz JASWINTVEUZQLL-CQSZACIVSA-N 0 3 252.377 3.675 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000562585512 1128412718 /nfs/dbraw/zinc/41/27/18/1128412718.db2.gz VRLYYCZTCNHWOC-ZDUSSCGKSA-N 0 3 296.418 3.772 20 30 CHEDHN CN(Cc1cccc(F)c1)Cc1ccccc1CC#N ZINC001235511781 1128337532 /nfs/dbraw/zinc/33/75/32/1128337532.db2.gz MIQABLMKCSCHMC-UHFFFAOYSA-N 0 3 268.335 3.524 20 30 CHEDHN N#CC[C@H]1CCCN(C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000930925951 1128340219 /nfs/dbraw/zinc/34/02/19/1128340219.db2.gz XLBJVJSLAVSBQR-SJORKVTESA-N 0 3 290.451 3.884 20 30 CHEDHN CCOCc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000193891619 1128357885 /nfs/dbraw/zinc/35/78/85/1128357885.db2.gz WPBVJATUISWNPI-HNNXBMFYSA-N 0 3 294.398 3.946 20 30 CHEDHN C=CCC[C@H](CCC)NCc1noc2c1CCCC2 ZINC000561985611 1128367957 /nfs/dbraw/zinc/36/79/57/1128367957.db2.gz GWGKAYHIBNALCN-ZDUSSCGKSA-N 0 3 262.397 3.778 20 30 CHEDHN C[C@H](CCC#N)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191761 1128400138 /nfs/dbraw/zinc/40/01/38/1128400138.db2.gz OLHLSKVGBSHRAK-OLZOCXBDSA-N 0 3 289.448 3.503 20 30 CHEDHN C#CCC1(NCc2scnc2Cl)CCCCC1 ZINC000933262991 1128432413 /nfs/dbraw/zinc/43/24/13/1128432413.db2.gz GPQIIAXWCDNNQZ-UHFFFAOYSA-N 0 3 268.813 3.612 20 30 CHEDHN CC1(C)CN(CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000328866119 1128434517 /nfs/dbraw/zinc/43/45/17/1128434517.db2.gz NSLLIKWLMCXSCP-JKSUJKDBSA-N 0 3 297.402 3.657 20 30 CHEDHN N#CCC1(CN2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000933820824 1128444314 /nfs/dbraw/zinc/44/43/14/1128444314.db2.gz ZOTVCQLRGVZZIS-UHFFFAOYSA-N 0 3 291.398 3.951 20 30 CHEDHN COc1ccc(C2(NCc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000488168980 1128438663 /nfs/dbraw/zinc/43/86/63/1128438663.db2.gz IOQLPAXBNRONMT-UHFFFAOYSA-N 0 3 292.382 3.654 20 30 CHEDHN C=CCCCN(CC)Cc1cncn1Cc1ccccc1 ZINC000934645512 1128465459 /nfs/dbraw/zinc/46/54/59/1128465459.db2.gz SBGWLPPDCZUGEA-UHFFFAOYSA-N 0 3 283.419 3.720 20 30 CHEDHN C=CCCCN(CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934646821 1128465980 /nfs/dbraw/zinc/46/59/80/1128465980.db2.gz XCBJKOBKOSQHMP-UHFFFAOYSA-N 0 3 289.335 3.524 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccccc2)cc1 ZINC000154455383 1128509994 /nfs/dbraw/zinc/50/99/94/1128509994.db2.gz VINRGKBYWBSABD-HNNXBMFYSA-N 0 3 280.371 3.609 20 30 CHEDHN CC[C@H](NCc1cccc(O)c1)c1ccc(C#N)cc1 ZINC000566080150 1128538376 /nfs/dbraw/zinc/53/83/76/1128538376.db2.gz FGWKEVMQGCOIDX-KRWDZBQOSA-N 0 3 266.344 3.505 20 30 CHEDHN CC[C@H](CNCCC#N)Cc1cccc(Br)c1 ZINC000566555973 1128546447 /nfs/dbraw/zinc/54/64/47/1128546447.db2.gz CINHMXCJTKBYDW-LBPRGKRZSA-N 0 3 295.224 3.521 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc(OC)c(OC)c1C ZINC000566823018 1128552390 /nfs/dbraw/zinc/55/23/90/1128552390.db2.gz HAQSGXDRTCBKAW-HNNXBMFYSA-N 0 3 275.392 3.553 20 30 CHEDHN CC(C)N(CCC#N)[C@H](C)CCc1cccc(F)c1 ZINC000566936784 1128554556 /nfs/dbraw/zinc/55/45/56/1128554556.db2.gz YSLAPHGPPQDTQG-CQSZACIVSA-N 0 3 262.372 3.771 20 30 CHEDHN C#CCN([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000919723924 1128626577 /nfs/dbraw/zinc/62/65/77/1128626577.db2.gz PKMYHAIKMTUEIW-LLVKDONJSA-N 0 3 267.294 3.864 20 30 CHEDHN CN(CCCCCOc1ccccc1)CC(C)(C)C#N ZINC000556910282 1128641820 /nfs/dbraw/zinc/64/18/20/1128641820.db2.gz RKPUWIPWTYVPNJ-UHFFFAOYSA-N 0 3 274.408 3.717 20 30 CHEDHN N#Cc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cc1 ZINC000047376192 1128670307 /nfs/dbraw/zinc/67/03/07/1128670307.db2.gz LRNBCISKIIHORJ-INIZCTEOSA-N 0 3 297.317 3.597 20 30 CHEDHN C=CCCCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000649255340 1128695934 /nfs/dbraw/zinc/69/59/34/1128695934.db2.gz RAJFIGYHFCQZNA-MRXNPFEDSA-N 0 3 263.381 3.617 20 30 CHEDHN C=CCN1CCC(NC(=O)CCC2CCCCCC2)CC1 ZINC000654747582 1117772582 /nfs/dbraw/zinc/77/25/82/1117772582.db2.gz IIMSLHPDRWIBSI-UHFFFAOYSA-N 0 3 292.467 3.504 20 30 CHEDHN C[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000579172858 1128740246 /nfs/dbraw/zinc/74/02/46/1128740246.db2.gz UPLQORIBBZWDGD-WDEREUQCSA-N 0 3 282.309 3.807 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000119322695 1117885910 /nfs/dbraw/zinc/88/59/10/1117885910.db2.gz BGPULHUDDREFHY-QWRGUYRKSA-N 0 3 255.308 3.822 20 30 CHEDHN C=CCC(C)(C)CN[C@@H]1CCCc2scnc21 ZINC000623989014 1117969324 /nfs/dbraw/zinc/96/93/24/1117969324.db2.gz FNRVZAFNPQPPST-LLVKDONJSA-N 0 3 250.411 3.712 20 30 CHEDHN CC(C)CN(Cc1ccc(CC#N)cc1)Cc1ccccn1 ZINC000932448721 1117999477 /nfs/dbraw/zinc/99/94/77/1117999477.db2.gz DSLGJWBHIHXCLI-UHFFFAOYSA-N 0 3 293.414 3.806 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000579472491 1128749358 /nfs/dbraw/zinc/74/93/58/1128749358.db2.gz WPSLLFAZCHBUEO-SFHVURJKSA-N 0 3 280.346 3.669 20 30 CHEDHN Cc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000237701580 1128752860 /nfs/dbraw/zinc/75/28/60/1128752860.db2.gz LXJUIVJDGJMBCP-LBPRGKRZSA-N 0 3 286.400 3.637 20 30 CHEDHN CSc1cc(C)cc(CN2CCC[C@H](CC#N)C2)c1 ZINC001238685804 1118072099 /nfs/dbraw/zinc/07/20/99/1118072099.db2.gz QTVLUHRACOXUOI-CQSZACIVSA-N 0 3 274.433 3.843 20 30 CHEDHN N#CCCNCCCCc1ccc(Cl)c(Cl)c1 ZINC000355123146 1118097407 /nfs/dbraw/zinc/09/74/07/1118097407.db2.gz AFHMWLOFAZVFQL-UHFFFAOYSA-N 0 3 271.191 3.819 20 30 CHEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)cc(C)c1F ZINC001143379342 1118229672 /nfs/dbraw/zinc/22/96/72/1118229672.db2.gz SHTLKZUGIWBQJD-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN C[C@@H](NCc1cc2ccccc2[nH]1)c1ccc(C#N)cc1 ZINC000610341819 1118334566 /nfs/dbraw/zinc/33/45/66/1118334566.db2.gz XKPSQXYLUKRJSI-CYBMUJFWSA-N 0 3 275.355 3.890 20 30 CHEDHN CC#CCCNCc1cccc(Br)c1Cl ZINC000706530616 1118427461 /nfs/dbraw/zinc/42/74/61/1118427461.db2.gz RMTYKYMGCMXXEM-UHFFFAOYSA-N 0 3 286.600 3.606 20 30 CHEDHN C[C@H](NCc1cccc(F)c1C#N)[C@@]12C[C@@H]1CCCC2 ZINC001207120573 1118483875 /nfs/dbraw/zinc/48/38/75/1118483875.db2.gz VZXXHWRWCKNMSO-RVSPLBMKSA-N 0 3 272.367 3.756 20 30 CHEDHN C=CCc1cc(C[N@H+](C)[C@H](C)C(C)C)c([O-])c(OC)c1 ZINC000754726585 1118646540 /nfs/dbraw/zinc/64/65/40/1118646540.db2.gz RKRKUXDUWPPXKP-CYBMUJFWSA-N 0 3 277.408 3.606 20 30 CHEDHN C=CCc1cc(C[N@@H+](C)[C@H](C)C(C)C)c([O-])c(OC)c1 ZINC000754726585 1118646541 /nfs/dbraw/zinc/64/65/41/1118646541.db2.gz RKRKUXDUWPPXKP-CYBMUJFWSA-N 0 3 277.408 3.606 20 30 CHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(C#N)cc1 ZINC000335871758 1118653398 /nfs/dbraw/zinc/65/33/98/1118653398.db2.gz PNEANISOLLLRIT-ORAYPTAESA-N 0 3 287.366 3.768 20 30 CHEDHN CCCN(CCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000077265992 1118661704 /nfs/dbraw/zinc/66/17/04/1118661704.db2.gz ZTIPJJFJFMRURV-UHFFFAOYSA-N 0 3 270.298 3.723 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1scnc1C ZINC000092505709 1118853301 /nfs/dbraw/zinc/85/33/01/1118853301.db2.gz ZDSYGNHXWILABQ-UHFFFAOYSA-N 0 3 272.417 3.682 20 30 CHEDHN CC#CCN[C@H](CC)c1cc(F)cc(Br)c1 ZINC000132949468 1118859125 /nfs/dbraw/zinc/85/91/25/1118859125.db2.gz MSFWLJNJWBDJHF-CYBMUJFWSA-N 0 3 284.172 3.652 20 30 CHEDHN N#Cc1cc(CN(Cc2ccc(F)cc2)CC2CC2)ccn1 ZINC000610993097 1118919414 /nfs/dbraw/zinc/91/94/14/1118919414.db2.gz DAYIVFYKEQSSLA-UHFFFAOYSA-N 0 3 295.361 3.505 20 30 CHEDHN CCS[C@H]1CC[C@@H](N(C)Cc2csc(C#N)c2)C1 ZINC000892197654 1119020201 /nfs/dbraw/zinc/02/02/01/1119020201.db2.gz UPLISMFMXTWBPF-OLZOCXBDSA-N 0 3 280.462 3.726 20 30 CHEDHN Cc1ccccc1[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000540341154 1119037325 /nfs/dbraw/zinc/03/73/25/1119037325.db2.gz VCBHLRWCODTMBZ-INIZCTEOSA-N 0 3 294.373 3.995 20 30 CHEDHN C=CCC[C@H](NCc1cnc2n1CCC2)c1ccccc1 ZINC000657412954 1119068874 /nfs/dbraw/zinc/06/88/74/1119068874.db2.gz MBBRLYJGAAJMQY-KRWDZBQOSA-N 0 3 281.403 3.626 20 30 CHEDHN C=CCC[C@@H](NCc1cnc2n1CCC2)c1ccccc1 ZINC000657412955 1119069154 /nfs/dbraw/zinc/06/91/54/1119069154.db2.gz MBBRLYJGAAJMQY-QGZVFWFLSA-N 0 3 281.403 3.626 20 30 CHEDHN N#CC(C(=O)c1cc2c(s1)CCCC2)c1ccccn1 ZINC000046705626 1119075808 /nfs/dbraw/zinc/07/58/08/1119075808.db2.gz PZQMNQMEBVFVIK-GFCCVEGCSA-N 0 3 282.368 3.512 20 30 CHEDHN C#CCN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176680390 1119105101 /nfs/dbraw/zinc/10/51/01/1119105101.db2.gz HIMJGZNLTLZRMS-HNNXBMFYSA-N 0 3 265.356 3.589 20 30 CHEDHN C#CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176680390 1119105103 /nfs/dbraw/zinc/10/51/03/1119105103.db2.gz HIMJGZNLTLZRMS-HNNXBMFYSA-N 0 3 265.356 3.589 20 30 CHEDHN C#CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176680390 1119105104 /nfs/dbraw/zinc/10/51/04/1119105104.db2.gz HIMJGZNLTLZRMS-HNNXBMFYSA-N 0 3 265.356 3.589 20 30 CHEDHN C#Cc1cccc(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000926549119 1119463870 /nfs/dbraw/zinc/46/38/70/1119463870.db2.gz CXMVVCXIJWMTFP-LJQANCHMSA-N 0 3 276.383 3.694 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccc(Cl)cc1 ZINC000136960396 1119543649 /nfs/dbraw/zinc/54/36/49/1119543649.db2.gz NTYMPAGBNVOVOC-SMDDNHRTSA-N 0 3 250.773 3.553 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccc(Cl)cc1 ZINC000136960473 1119543655 /nfs/dbraw/zinc/54/36/55/1119543655.db2.gz NTYMPAGBNVOVOC-BXUZGUMPSA-N 0 3 250.773 3.553 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccc(Cl)cc1 ZINC000136960436 1119543969 /nfs/dbraw/zinc/54/39/69/1119543969.db2.gz NTYMPAGBNVOVOC-RISCZKNCSA-N 0 3 250.773 3.553 20 30 CHEDHN CC[C@H](C)CN(C)Cc1ccc(Cl)cc1C#N ZINC000480553039 1119593902 /nfs/dbraw/zinc/59/39/02/1119593902.db2.gz INCYDGGHUJXXAC-NSHDSACASA-N 0 3 250.773 3.690 20 30 CHEDHN C=CCN(CCc1csc(C)n1)Cc1cccs1 ZINC000163406578 1119630103 /nfs/dbraw/zinc/63/01/03/1119630103.db2.gz JPYONDROUWBAGA-UHFFFAOYSA-N 0 3 278.446 3.744 20 30 CHEDHN C=CCCCNCc1cscc1Br ZINC000308188273 1119654823 /nfs/dbraw/zinc/65/48/23/1119654823.db2.gz LJWJFMQMWODZRT-UHFFFAOYSA-N 0 3 260.200 3.566 20 30 CHEDHN CC(C)C[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000307770498 1119655393 /nfs/dbraw/zinc/65/53/93/1119655393.db2.gz FROBFMMLUABPQY-ZDUSSCGKSA-N 0 3 260.356 3.565 20 30 CHEDHN CCCCCCCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000755738639 1119741597 /nfs/dbraw/zinc/74/15/97/1119741597.db2.gz LJAVIEDHCRECBH-KRWDZBQOSA-N 0 3 288.435 3.566 20 30 CHEDHN CN(CCSC(C)(C)C)Cc1cccc(C#N)c1 ZINC000310716042 1119873253 /nfs/dbraw/zinc/87/32/53/1119873253.db2.gz NSJJHEWBPBZKOT-UHFFFAOYSA-N 0 3 262.422 3.522 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1cc(F)c(F)c(F)c1 ZINC000414161933 1119921704 /nfs/dbraw/zinc/92/17/04/1119921704.db2.gz GKPPHKPXRZEOQH-SECBINFHSA-N 0 3 270.298 3.694 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CCSc2ccc(F)cc21 ZINC000414163383 1119922531 /nfs/dbraw/zinc/92/25/31/1119922531.db2.gz IKLWPEFZDZOFLD-ZDUSSCGKSA-N 0 3 278.396 3.892 20 30 CHEDHN CC[C@@H](NCC(C)(C)CC#N)c1cc(C)ccc1OC ZINC000414169718 1119924996 /nfs/dbraw/zinc/92/49/96/1119924996.db2.gz RYLUPUUAEWTAII-OAHLLOKOSA-N 0 3 274.408 3.984 20 30 CHEDHN C[C@H](Nc1c[nH]cc2ccnc1-2)c1cccc(C#N)c1 ZINC001167709826 1120060149 /nfs/dbraw/zinc/06/01/49/1120060149.db2.gz FBCBIQRGSJAZFZ-NSHDSACASA-N 0 3 262.316 3.608 20 30 CHEDHN C[C@H](Nc1cncc2cc[nH]c21)c1cccc(C#N)c1 ZINC001167709826 1120060151 /nfs/dbraw/zinc/06/01/51/1120060151.db2.gz FBCBIQRGSJAZFZ-NSHDSACASA-N 0 3 262.316 3.608 20 30 CHEDHN COC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCCCC1 ZINC000480701430 1120084541 /nfs/dbraw/zinc/08/45/41/1120084541.db2.gz TYCMWZFPFQMBLN-ZDUSSCGKSA-N 0 3 290.382 3.697 20 30 CHEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000172620594 1120202679 /nfs/dbraw/zinc/20/26/79/1120202679.db2.gz CHAVNSCZXSDQEY-GOSISDBHSA-N 0 3 298.361 3.969 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)o2)CC12CCCCC2 ZINC000463058680 1120240213 /nfs/dbraw/zinc/24/02/13/1120240213.db2.gz XVQSBUKRKJBWHX-CQSZACIVSA-N 0 3 272.392 3.944 20 30 CHEDHN C#C[C@H](NCc1c(OC)ccc2ccccc21)C(C)C ZINC000312152904 1120311773 /nfs/dbraw/zinc/31/17/73/1120311773.db2.gz BBYLYNUVVCZQBH-KRWDZBQOSA-N 0 3 267.372 3.596 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1csc(C#N)c1)[C@@H](C)C2 ZINC000921981710 1120317291 /nfs/dbraw/zinc/31/72/91/1120317291.db2.gz VTAKWXDASPXTJN-YVEFUNNKSA-N 0 3 282.412 3.951 20 30 CHEDHN C#CCOc1ccccc1CN[C@H]1CCCc2ccccc21 ZINC000236689618 1120397982 /nfs/dbraw/zinc/39/79/82/1120397982.db2.gz UTMMCSDGEXIWCK-IBGZPJMESA-N 0 3 291.394 3.866 20 30 CHEDHN Cc1ccc([C@H]2CCC[C@H]2NCC2(C#N)CC2)cc1 ZINC000584875999 1120475411 /nfs/dbraw/zinc/47/54/11/1120475411.db2.gz LUYGCTZADQVQRM-HZPDHXFCSA-N 0 3 254.377 3.525 20 30 CHEDHN CN(CCC1CCCCC1)Cc1cnc2ccc(C#N)cn12 ZINC000092784467 1120546717 /nfs/dbraw/zinc/54/67/17/1120546717.db2.gz OWILIOYBWVZWNB-UHFFFAOYSA-N 0 3 296.418 3.608 20 30 CHEDHN CC(C)[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)o1 ZINC000093361636 1120559701 /nfs/dbraw/zinc/55/97/01/1120559701.db2.gz VVPLFIRTHAZKES-KRWDZBQOSA-N 0 3 268.360 3.980 20 30 CHEDHN C=C(C)[C@H](N[C@H](C)COC(C)C)c1ccc(F)c(F)c1 ZINC000500405248 1120613917 /nfs/dbraw/zinc/61/39/17/1120613917.db2.gz SLWKRFGYMLZUHV-WBMJQRKESA-N 0 3 283.362 3.985 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000093116402 1120706863 /nfs/dbraw/zinc/70/68/63/1120706863.db2.gz FAWJDPVORNZTNA-MRXNPFEDSA-N 0 3 286.375 3.926 20 30 CHEDHN CCOc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742776 1128935556 /nfs/dbraw/zinc/93/55/56/1128935556.db2.gz SDAQYNBGPQIKJC-IBGZPJMESA-N 0 3 292.382 3.734 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc2ccccc2c(=O)[nH]1 ZINC000661116052 1120720114 /nfs/dbraw/zinc/72/01/14/1120720114.db2.gz HCTMBVOSXPESSP-UKRRQHHQSA-N 0 3 297.402 3.560 20 30 CHEDHN C=CC[C@H]1CC[C@H](NCc2nc(C(F)(F)F)cs2)C1 ZINC000651719695 1120724485 /nfs/dbraw/zinc/72/44/85/1120724485.db2.gz BESPTOLBIQNZIA-UWVGGRQHSA-N 0 3 290.354 3.996 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000651736760 1120730826 /nfs/dbraw/zinc/73/08/26/1120730826.db2.gz HVQCZYCDCAQLLE-CABCVRRESA-N 0 3 273.424 3.833 20 30 CHEDHN Cc1cc(CN2CC(Cc3ccccc3)C2)ccc1C#N ZINC000618752439 1128936802 /nfs/dbraw/zinc/93/68/02/1128936802.db2.gz AKNYCUQDBYAYTC-UHFFFAOYSA-N 0 3 276.383 3.541 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000661386861 1120761310 /nfs/dbraw/zinc/76/13/10/1120761310.db2.gz VLJHMDHBYSXAIH-OAHLLOKOSA-N 0 3 257.377 3.677 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2cc(F)ccc21 ZINC000618805249 1128939743 /nfs/dbraw/zinc/93/97/43/1128939743.db2.gz NJRAFMSPRJYDEN-RBUKOAKNSA-N 0 3 292.357 3.962 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2cc(C#N)cs2)s1 ZINC000093492527 1120816643 /nfs/dbraw/zinc/81/66/43/1120816643.db2.gz WIXUXDRPRNBTSV-SNVBAGLBSA-N 0 3 262.403 3.841 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000662081132 1120870096 /nfs/dbraw/zinc/87/00/96/1120870096.db2.gz UQECOVZCGIYOID-YESZJQIVSA-N 0 3 298.430 3.813 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000662081845 1120872008 /nfs/dbraw/zinc/87/20/08/1120872008.db2.gz SJQWQLPRJJQXGG-YESZJQIVSA-N 0 3 298.430 3.813 20 30 CHEDHN CC(C)(C#N)CCN1CCC(CC(F)(F)F)CC1 ZINC000585755921 1121030573 /nfs/dbraw/zinc/03/05/73/1121030573.db2.gz WZUQQKOJOKQOAZ-UHFFFAOYSA-N 0 3 262.319 3.591 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cc2ccccc2[nH]1 ZINC000618967265 1128957946 /nfs/dbraw/zinc/95/79/46/1128957946.db2.gz YJKPSNLZKDDJHA-LJQANCHMSA-N 0 3 287.366 3.817 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000625704581 1121064428 /nfs/dbraw/zinc/06/44/28/1121064428.db2.gz YQFXZQGKLIZWEQ-HNNXBMFYSA-N 0 3 295.386 3.667 20 30 CHEDHN C[C@@H](NC[C@H]1COc2ccccc21)c1ccc(C#N)cc1F ZINC000344103507 1121084679 /nfs/dbraw/zinc/08/46/79/1121084679.db2.gz UIXAABNNIYYKGE-OCCSQVGLSA-N 0 3 296.345 3.524 20 30 CHEDHN CSc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccn1 ZINC000344115360 1121088506 /nfs/dbraw/zinc/08/85/06/1121088506.db2.gz XCDJYIFCOSSWGN-GFCCVEGCSA-N 0 3 283.400 3.526 20 30 CHEDHN Cc1cc(C)cc(CN2CCc3c(CC#N)cccc3C2)c1 ZINC001175061994 1121145895 /nfs/dbraw/zinc/14/58/95/1121145895.db2.gz LJRTWXDNMGUWCH-UHFFFAOYSA-N 0 3 290.410 3.928 20 30 CHEDHN N#Cc1cc(CN2CC[C@H]3CCCC[C@H]3C2)ccc1F ZINC000300406032 1121264839 /nfs/dbraw/zinc/26/48/39/1121264839.db2.gz IQNDKLGRLVZFBB-CABCVRRESA-N 0 3 272.367 3.709 20 30 CHEDHN CC1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCC1 ZINC000432810757 1121376049 /nfs/dbraw/zinc/37/60/49/1121376049.db2.gz AULNPYRNGSDSDA-DLBZAZTESA-N 0 3 268.404 3.948 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1ccccc1OC(F)(F)F ZINC000675933418 1121389032 /nfs/dbraw/zinc/38/90/32/1121389032.db2.gz DNRWFCBQFOEVLE-VHSXEESVSA-N 0 3 259.271 3.810 20 30 CHEDHN C=C(C)[C@H](NC[C@H](O)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000676495817 1121439786 /nfs/dbraw/zinc/43/97/86/1121439786.db2.gz MNQCVUDWHCVNJV-GJZGRUSLSA-N 0 3 283.362 3.579 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(F)c(Cl)c1 ZINC000709988582 1121473670 /nfs/dbraw/zinc/47/36/70/1121473670.db2.gz BLOSPASJBLGPCN-SNVBAGLBSA-N 0 3 268.763 3.897 20 30 CHEDHN CC#CCN1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC001175821650 1121473931 /nfs/dbraw/zinc/47/39/31/1121473931.db2.gz MUAGLAOWGJOVQC-CYBMUJFWSA-N 0 3 263.331 3.556 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000843423944 1121480192 /nfs/dbraw/zinc/48/01/92/1121480192.db2.gz MDQULIWAEKKXFT-LBPRGKRZSA-N 0 3 299.386 3.971 20 30 CHEDHN CSC[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000429277898 1121502640 /nfs/dbraw/zinc/50/26/40/1121502640.db2.gz HPHFDCJXQUIETO-HNNXBMFYSA-N 0 3 293.863 3.767 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2cc(Br)ccc2C)C1 ZINC001176070913 1121529666 /nfs/dbraw/zinc/52/96/66/1121529666.db2.gz TTYZSGLBJIPSRB-CYBMUJFWSA-N 0 3 292.220 3.603 20 30 CHEDHN C=CCC1(NCc2nc(-c3ccco3)no2)CCCCC1 ZINC000625937603 1121553861 /nfs/dbraw/zinc/55/38/61/1121553861.db2.gz IXWAXKGOOXOVGF-UHFFFAOYSA-N 0 3 287.363 3.698 20 30 CHEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccccn1 ZINC000411500517 1121596045 /nfs/dbraw/zinc/59/60/45/1121596045.db2.gz GAQUGQLJKLMEDT-AWEZNQCLSA-N 0 3 257.381 3.596 20 30 CHEDHN C#CCOc1ccc(CNCc2ccccc2CC)cc1 ZINC000237006373 1121598986 /nfs/dbraw/zinc/59/89/86/1121598986.db2.gz SEPXUUZNHZSBAC-UHFFFAOYSA-N 0 3 279.383 3.551 20 30 CHEDHN C#CCCCCCCN1CCCC[C@@H]1c1cc(C)n[nH]1 ZINC001176486767 1121637231 /nfs/dbraw/zinc/63/72/31/1121637231.db2.gz WWWKVPVOUOWAPU-QGZVFWFLSA-N 0 3 273.424 3.829 20 30 CHEDHN CC(C)(NCc1ccnc(C#N)c1)c1cccc(Cl)c1 ZINC000611396307 1121643277 /nfs/dbraw/zinc/64/32/77/1121643277.db2.gz PGLROOSCZOLXPX-UHFFFAOYSA-N 0 3 285.778 3.632 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1 ZINC000619673638 1129003090 /nfs/dbraw/zinc/00/30/90/1129003090.db2.gz NZCPQMMRVLNXJP-KZULUSFZSA-N 0 3 278.355 3.602 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccccn1 ZINC000614402349 1121710167 /nfs/dbraw/zinc/71/01/67/1121710167.db2.gz ADUAYMBFZDFXKF-GOSISDBHSA-N 0 3 277.371 3.599 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000614402898 1121711252 /nfs/dbraw/zinc/71/12/52/1121711252.db2.gz OTEYVQVOQSQIHO-QGZVFWFLSA-N 0 3 265.360 3.532 20 30 CHEDHN C#CCOc1cccc(Cl)c1CNCCC(C)(C)C ZINC001177231101 1121719000 /nfs/dbraw/zinc/71/90/00/1121719000.db2.gz AINILBCWZMZDFC-UHFFFAOYSA-N 0 3 279.811 3.878 20 30 CHEDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC1(C#N)CCC1 ZINC001119605842 1121816853 /nfs/dbraw/zinc/81/68/53/1121816853.db2.gz BFGJRQMBZKXSGZ-CHWSQXEVSA-N 0 3 270.376 3.532 20 30 CHEDHN CO[C@@]1(C)CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000280291449 1121884474 /nfs/dbraw/zinc/88/44/74/1121884474.db2.gz FDSLCAXDBQSKNC-KRWDZBQOSA-N 0 3 291.822 3.583 20 30 CHEDHN CCCCCCCCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000732160278 1121908917 /nfs/dbraw/zinc/90/89/17/1121908917.db2.gz OGALQVHYESFMEW-KRWDZBQOSA-N 0 3 294.483 3.680 20 30 CHEDHN C=CCOCCN[C@H](CC)c1cc(Cl)ccc1OC ZINC000679576757 1121911807 /nfs/dbraw/zinc/91/18/07/1121911807.db2.gz SOIKGZBDLCNEOO-CQSZACIVSA-N 0 3 283.799 3.592 20 30 CHEDHN C=CCCn1cc(CN(CCC)CC2CCCCC2)nn1 ZINC001180174040 1121954519 /nfs/dbraw/zinc/95/45/19/1121954519.db2.gz KDLVANPJNLNPNJ-UHFFFAOYSA-N 0 3 290.455 3.647 20 30 CHEDHN Cc1cncc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618802193 1121993558 /nfs/dbraw/zinc/99/35/58/1121993558.db2.gz CZJZSNQKTFDALC-SCLBCKFNSA-N 0 3 277.371 3.600 20 30 CHEDHN CCCCCCC[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204275358 1122002375 /nfs/dbraw/zinc/00/23/75/1122002375.db2.gz PHUGTWUMHACSDF-UHFFFAOYSA-N 0 3 251.370 3.500 20 30 CHEDHN CCCCCCC[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204275358 1122002380 /nfs/dbraw/zinc/00/23/80/1122002380.db2.gz PHUGTWUMHACSDF-UHFFFAOYSA-N 0 3 251.370 3.500 20 30 CHEDHN CC1(C)CN(Cc2csc(C#N)c2)CC(C)(C)C1 ZINC001180602320 1122003426 /nfs/dbraw/zinc/00/34/26/1122003426.db2.gz HYLKVUZIUQYTJW-UHFFFAOYSA-N 0 3 262.422 3.878 20 30 CHEDHN C=CCN(C)Cc1cc2cc(Br)ccc2o1 ZINC001181044649 1122029758 /nfs/dbraw/zinc/02/97/58/1122029758.db2.gz XIZWMUWBIJBPHD-UHFFFAOYSA-N 0 3 280.165 3.813 20 30 CHEDHN C#C[C@H](NC[C@@H]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC001182019665 1122106465 /nfs/dbraw/zinc/10/64/65/1122106465.db2.gz ANKZYMALJATROO-CPUCHLNUSA-N 0 3 259.368 3.916 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCC#Cc1ccccc1 ZINC001182433513 1122155926 /nfs/dbraw/zinc/15/59/26/1122155926.db2.gz JJTXWCJPXJTHOK-HXUWFJFHSA-N 0 3 286.378 3.577 20 30 CHEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCC=CCCC1 ZINC001184249996 1122264711 /nfs/dbraw/zinc/26/47/11/1122264711.db2.gz BBHNMGQZFOJIIM-CQSZACIVSA-N 0 3 272.367 3.923 20 30 CHEDHN COc1ccc(CN2CC3(CCC3)[C@H]2C(C)C)cc1C#N ZINC000430108613 1122406331 /nfs/dbraw/zinc/40/63/31/1122406331.db2.gz UKGIGCKGYMMRSI-QGZVFWFLSA-N 0 3 284.403 3.577 20 30 CHEDHN N#Cc1ccc(CC2CCN(Cc3ccco3)CC2)cc1 ZINC001203278421 1122427196 /nfs/dbraw/zinc/42/71/96/1122427196.db2.gz OZYYCBZUYWFGRL-UHFFFAOYSA-N 0 3 280.371 3.606 20 30 CHEDHN CCCCCCCC[C@H](C)CC(=O)N1CCCN(C)CC1 ZINC000775144825 1122444523 /nfs/dbraw/zinc/44/45/23/1122444523.db2.gz WZRAPXYZYUGSQA-KRWDZBQOSA-N 0 3 296.499 3.927 20 30 CHEDHN C#C[C@@H](C)N(C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000775179828 1122467685 /nfs/dbraw/zinc/46/76/85/1122467685.db2.gz SDXAFOSKFXBPJD-OAHLLOKOSA-N 0 3 279.383 3.816 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(F)cccc1Cl ZINC000435742651 1122487232 /nfs/dbraw/zinc/48/72/32/1122487232.db2.gz WLYPDNSJHUEPOT-NHYWBVRUSA-N 0 3 283.774 3.550 20 30 CHEDHN CCCCCCCNC(=O)Nc1ccccc1CN(C)C ZINC001191106487 1122572464 /nfs/dbraw/zinc/57/24/64/1122572464.db2.gz DSXQNDNVLSRFQV-UHFFFAOYSA-N 0 3 291.439 3.840 20 30 CHEDHN CCS[C@@H]1CC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000437579540 1122642686 /nfs/dbraw/zinc/64/26/86/1122642686.db2.gz PUGPBYHCBJKLTQ-IAGOWNOFSA-N 0 3 291.435 3.783 20 30 CHEDHN C#C[C@H](N[C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000775574493 1122676526 /nfs/dbraw/zinc/67/65/26/1122676526.db2.gz PRLFITMPJNTUOI-JVPBZIDWSA-N 0 3 279.383 3.671 20 30 CHEDHN N#Cc1csc(CN2CCCC3(CCCC3)C2)c1 ZINC000438379792 1122696115 /nfs/dbraw/zinc/69/61/15/1122696115.db2.gz YTYVWRLUFUBYCH-UHFFFAOYSA-N 0 3 260.406 3.776 20 30 CHEDHN CC(C)N(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000426367375 1122774718 /nfs/dbraw/zinc/77/47/18/1122774718.db2.gz WVXJQQVXAYBJBO-UHFFFAOYSA-N 0 3 281.321 3.930 20 30 CHEDHN C#C[C@@H](NC1CC2(C1)CO[C@H](C)C2)c1ccc(Cl)cc1 ZINC000894552474 1122873808 /nfs/dbraw/zinc/87/38/08/1122873808.db2.gz HZILGDZYSZDOLW-ZCHDIUTGSA-N 0 3 289.806 3.562 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@H](O)CC1CCCC1 ZINC000473744744 1122884292 /nfs/dbraw/zinc/88/42/92/1122884292.db2.gz ZTMHOYYSCKGAKM-OAHLLOKOSA-N 0 3 279.449 3.677 20 30 CHEDHN C=C(C)CN1CCc2c(ccc(OC)c2OC)[C@@H]1CC ZINC001195788741 1122888799 /nfs/dbraw/zinc/88/87/99/1122888799.db2.gz IQBRGVKLQHZKMC-HNNXBMFYSA-N 0 3 275.392 3.589 20 30 CHEDHN C=C(CNCc1ccc(OC)c(F)c1)c1ccccc1 ZINC000620756845 1129084647 /nfs/dbraw/zinc/08/46/47/1129084647.db2.gz RFSUVDCONWHMPQ-UHFFFAOYSA-N 0 3 271.335 3.637 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(CC(C)C)nc2)c1 ZINC000894776841 1122902397 /nfs/dbraw/zinc/90/23/97/1122902397.db2.gz XQIXBETWOUUGBR-UHFFFAOYSA-N 0 3 278.399 3.551 20 30 CHEDHN C=CCC1(CNCc2nnc(C3CC3)s2)CCCC1 ZINC000894752250 1122902496 /nfs/dbraw/zinc/90/24/96/1122902496.db2.gz BLGDSRQDTJGSEI-UHFFFAOYSA-N 0 3 277.437 3.642 20 30 CHEDHN C[C@@H]1CCCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000775731840 1122928269 /nfs/dbraw/zinc/92/82/69/1122928269.db2.gz IPHDRWDHRDLEQI-CYBMUJFWSA-N 0 3 292.810 3.864 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1 ZINC000507246380 1122943613 /nfs/dbraw/zinc/94/36/13/1122943613.db2.gz IPTOMYUQVWTNQX-OLZOCXBDSA-N 0 3 290.370 3.846 20 30 CHEDHN C#CC[C@H]1CCN(CCc2c(Cl)cccc2Cl)C1 ZINC001197701233 1122966508 /nfs/dbraw/zinc/96/65/08/1122966508.db2.gz FYEBFKHYQNESOI-LBPRGKRZSA-N 0 3 282.214 3.881 20 30 CHEDHN CC(C)(C#N)CCCCN1CCOc2ccccc2C1 ZINC000232531450 1123027765 /nfs/dbraw/zinc/02/77/65/1123027765.db2.gz VSAVOLVVNCVPQU-UHFFFAOYSA-N 0 3 272.392 3.601 20 30 CHEDHN C=CCCCN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441337211 1123077716 /nfs/dbraw/zinc/07/77/16/1123077716.db2.gz AXJZKFJHCFVPSU-HNNXBMFYSA-N 0 3 292.854 3.985 20 30 CHEDHN C=CCCCN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000441337213 1123077735 /nfs/dbraw/zinc/07/77/35/1123077735.db2.gz AXJZKFJHCFVPSU-OAHLLOKOSA-N 0 3 292.854 3.985 20 30 CHEDHN CCCCCCCCNCc1ncc(Cl)n1C ZINC000105932172 1123086110 /nfs/dbraw/zinc/08/61/10/1123086110.db2.gz DKLZDZPTYWKOTH-UHFFFAOYSA-N 0 3 257.809 3.524 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280803923 1123126546 /nfs/dbraw/zinc/12/65/46/1123126546.db2.gz LCWYMSDLSMPKHE-LESCRADOSA-N 0 3 289.419 3.723 20 30 CHEDHN C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@H]2CCCC[C@H]12 ZINC000543908690 1123134649 /nfs/dbraw/zinc/13/46/49/1123134649.db2.gz LYEIMMCKAIGCOX-JLZZUVOBSA-N 0 3 272.367 3.708 20 30 CHEDHN CCCCCCCN1CCN(C)c2nc(C)ccc2C1 ZINC001201762616 1123148557 /nfs/dbraw/zinc/14/85/57/1123148557.db2.gz QHSXFHKHIRGYHL-UHFFFAOYSA-N 0 3 275.440 3.612 20 30 CHEDHN CCCCCCCN1CC(c2ccc(C(=O)OC)cc2)C1 ZINC001201798107 1123150577 /nfs/dbraw/zinc/15/05/77/1123150577.db2.gz OSWGFFVFFMDMKT-UHFFFAOYSA-N 0 3 289.419 3.843 20 30 CHEDHN CCCCCCCCCCN1C[C@H](F)C[C@H](CO)C1 ZINC001201852749 1123152508 /nfs/dbraw/zinc/15/25/08/1123152508.db2.gz JLULHHNMTNUBDM-JKSUJKDBSA-N 0 3 273.436 3.779 20 30 CHEDHN CCCCCCCCCN1CCc2cnn(C)c2C1 ZINC001201852988 1123152520 /nfs/dbraw/zinc/15/25/20/1123152520.db2.gz WGGJGHWGXNLMMI-UHFFFAOYSA-N 0 3 263.429 3.529 20 30 CHEDHN N#CCC1(CN[C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000366815836 1123198990 /nfs/dbraw/zinc/19/89/90/1123198990.db2.gz BIALJKWDDDULAQ-KRWDZBQOSA-N 0 3 296.414 3.672 20 30 CHEDHN C[C@H]1CCN(CCC(C)(C)C#N)[C@@H](c2ccco2)C1 ZINC000270680733 1129110214 /nfs/dbraw/zinc/11/02/14/1129110214.db2.gz UPIIUHLBUIYJNF-UONOGXRCSA-N 0 3 260.381 3.992 20 30 CHEDHN C=CCC[C@H](N[C@@H]1COC2(CCC2)C1)c1ccco1 ZINC000850523179 1123280076 /nfs/dbraw/zinc/28/00/76/1123280076.db2.gz BVWDOUZKUSNNMC-KBPBESRZSA-N 0 3 261.365 3.588 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1OC(=O)C1CCN(C2CC2)CC1 ZINC000851143294 1123328054 /nfs/dbraw/zinc/32/80/54/1123328054.db2.gz KKTJLEIQDVWBDG-YOEHRIQHSA-N 0 3 291.435 3.539 20 30 CHEDHN CN(C/C=C/c1ccc(F)cc1F)Cc1cccc(C#N)c1 ZINC000544609686 1123378148 /nfs/dbraw/zinc/37/81/48/1123378148.db2.gz QGEUUTKJHHDJMA-ZZXKWVIFSA-N 0 3 298.336 3.982 20 30 CHEDHN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H](C)C1 ZINC000443659166 1123465737 /nfs/dbraw/zinc/46/57/37/1123465737.db2.gz SYPNIEQYNQTCPY-OLZOCXBDSA-N 0 3 260.356 3.565 20 30 CHEDHN N#CCC1CCN(Cc2coc3ccc(F)cc23)CC1 ZINC001141852462 1123528390 /nfs/dbraw/zinc/52/83/90/1123528390.db2.gz DYWZAHAGYMYFQO-UHFFFAOYSA-N 0 3 272.323 3.698 20 30 CHEDHN CSC1CCC(CNCc2cccc(F)c2C#N)CC1 ZINC000896258252 1123566497 /nfs/dbraw/zinc/56/64/97/1123566497.db2.gz XWWVGTPEMCMGCA-UHFFFAOYSA-N 0 3 292.423 3.709 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000925491262 1123587017 /nfs/dbraw/zinc/58/70/17/1123587017.db2.gz DRVORVBDQHIABE-QWHCGFSZSA-N 0 3 289.379 3.882 20 30 CHEDHN C#CC[C@@H](CCOC)NCc1ccc(Cl)cc1Cl ZINC000858331908 1123645959 /nfs/dbraw/zinc/64/59/59/1123645959.db2.gz KLOWWNBQQUAUMS-ZDUSSCGKSA-N 0 3 286.202 3.511 20 30 CHEDHN N#CCCCN[C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000346838340 1123726133 /nfs/dbraw/zinc/72/61/33/1123726133.db2.gz RNCJYKPPWICHEK-QGZVFWFLSA-N 0 3 284.403 3.672 20 30 CHEDHN C=CC[C@H](C=C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000860926713 1123759278 /nfs/dbraw/zinc/75/92/78/1123759278.db2.gz ASFYODNGBVEIRX-SFHVURJKSA-N 0 3 299.414 3.573 20 30 CHEDHN Cc1c2ccccc2n(C)c1CNCc1ccc(C#N)s1 ZINC000475192071 1123817505 /nfs/dbraw/zinc/81/75/05/1123817505.db2.gz QALZFUTUBFSFME-UHFFFAOYSA-N 0 3 295.411 3.710 20 30 CHEDHN CC1(C)C[C@H](NCC#Cc2ccccc2Cl)C(C)(C)O1 ZINC000444633710 1124047136 /nfs/dbraw/zinc/04/71/36/1124047136.db2.gz VEMCLLOCRYWGJN-HNNXBMFYSA-N 0 3 291.822 3.627 20 30 CHEDHN C=CCOCCN[C@@H](CCc1ccccc1)c1ccccn1 ZINC000866338143 1124053729 /nfs/dbraw/zinc/05/37/29/1124053729.db2.gz XWRXIKZRGQWQGI-IBGZPJMESA-N 0 3 296.414 3.548 20 30 CHEDHN C=CCOCCN[C@H](CCc1ccccc1)c1ccccn1 ZINC000866338145 1124054074 /nfs/dbraw/zinc/05/40/74/1124054074.db2.gz XWRXIKZRGQWQGI-LJQANCHMSA-N 0 3 296.414 3.548 20 30 CHEDHN C=CC[C@@H]1N(Cc2cc(C(=O)OC)co2)CCCC1(C)C ZINC000444773422 1124062983 /nfs/dbraw/zinc/06/29/83/1124062983.db2.gz DEVSUTJMHWGGQV-HNNXBMFYSA-N 0 3 291.391 3.633 20 30 CHEDHN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000268811568 1124073423 /nfs/dbraw/zinc/07/34/23/1124073423.db2.gz OBEYGNFIGLLSHI-BFUOFWGJSA-N 0 3 292.382 3.905 20 30 CHEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cc2cnccc2o1 ZINC000866621278 1124090381 /nfs/dbraw/zinc/09/03/81/1124090381.db2.gz PXNLZERPVRLRGU-OUCADQQQSA-N 0 3 269.348 3.561 20 30 CHEDHN C[C@@H](CN(C)CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000446830012 1124124243 /nfs/dbraw/zinc/12/42/43/1124124243.db2.gz NUAKMOKBWSQXRF-INIZCTEOSA-N 0 3 281.374 3.913 20 30 CHEDHN N#Cc1c(F)cccc1CN1CCC[C@@H]1C1CCCC1 ZINC000428468022 1124132550 /nfs/dbraw/zinc/13/25/50/1124132550.db2.gz LYCWYVQIXZWTQV-QGZVFWFLSA-N 0 3 272.367 3.852 20 30 CHEDHN C#CCSCCNCc1ccc(Oc2ccccc2)o1 ZINC000779974179 1129177721 /nfs/dbraw/zinc/17/77/21/1129177721.db2.gz XZBGNJLKEYMFSX-UHFFFAOYSA-N 0 3 287.384 3.528 20 30 CHEDHN CC1(C#N)CCN([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170935947 1131259448 /nfs/dbraw/zinc/25/94/48/1131259448.db2.gz VVGNJRRFLASNPU-AWEZNQCLSA-N 0 3 288.822 3.823 20 30 CHEDHN COc1ccccc1C1(N[C@@H](C)CC(C)(C)C#N)CCC1 ZINC001119631650 1131260521 /nfs/dbraw/zinc/26/05/21/1131260521.db2.gz AUHNKDWLUPNQPQ-AWEZNQCLSA-N 0 3 286.419 3.992 20 30 CHEDHN C=CCN(CCc1ccco1)[C@H](C)c1ccc(F)nc1 ZINC001119702007 1131262826 /nfs/dbraw/zinc/26/28/26/1131262826.db2.gz JJDSOXMNXWQINY-CYBMUJFWSA-N 0 3 274.339 3.605 20 30 CHEDHN C=C(CNCc1ccnn1C1CCCC1)c1ccccc1 ZINC000449105590 1124647561 /nfs/dbraw/zinc/64/75/61/1124647561.db2.gz ZCMOBUJSSQIFNL-UHFFFAOYSA-N 0 3 281.403 3.801 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@H](COC)c1ccco1 ZINC000449178777 1124665184 /nfs/dbraw/zinc/66/51/84/1124665184.db2.gz UOZMSGXHJXMJQQ-ZIAGYGMSSA-N 0 3 251.370 3.692 20 30 CHEDHN C=CCCN(C)Cc1cnc(-c2ccccc2F)s1 ZINC000449268242 1124680378 /nfs/dbraw/zinc/68/03/78/1124680378.db2.gz FJSIQSGUJCDZHS-UHFFFAOYSA-N 0 3 276.380 3.957 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(C(F)(F)F)s2)C1 ZINC000872108680 1124684785 /nfs/dbraw/zinc/68/47/85/1124684785.db2.gz WQODAOJKZPJMRA-UWVGGRQHSA-N 0 3 288.338 3.939 20 30 CHEDHN C=CCC[C@H](NCc1ncc(Cl)s1)C1CC1 ZINC000872114671 1124687683 /nfs/dbraw/zinc/68/76/83/1124687683.db2.gz AMUIFGKQOQUMOT-JTQLQIEISA-N 0 3 256.802 3.631 20 30 CHEDHN C#C[C@H]1CC[C@H](N[C@@H](C)c2nc(C)sc2C)CC1 ZINC000872140392 1124695616 /nfs/dbraw/zinc/69/56/16/1124695616.db2.gz LWQYEBROEVBCKB-BPNCWPANSA-N 0 3 262.422 3.603 20 30 CHEDHN Cc1ccccc1CCN(C)Cc1cc(C#N)cs1 ZINC000449380429 1124716846 /nfs/dbraw/zinc/71/68/46/1124716846.db2.gz MZRRHRSPTNKFLN-UHFFFAOYSA-N 0 3 270.401 3.603 20 30 CHEDHN Cc1nc(C(C)C)ccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001122728595 1131301951 /nfs/dbraw/zinc/30/19/51/1131301951.db2.gz BZMVVKSNCFPGBA-ZDUSSCGKSA-N 0 3 297.333 3.538 20 30 CHEDHN CCn1cccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC001122687526 1131302200 /nfs/dbraw/zinc/30/22/00/1131302200.db2.gz ZTEHGMWRLRDIOJ-NSHDSACASA-N 0 3 287.388 3.578 20 30 CHEDHN CCC[C@@H](CC(C)C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123381196 1131313705 /nfs/dbraw/zinc/31/37/05/1131313705.db2.gz HELOHXOCLIGSFF-AAEUAGOBSA-N 0 3 294.345 3.998 20 30 CHEDHN CC1=C(C)C[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123382260 1131313773 /nfs/dbraw/zinc/31/37/73/1131313773.db2.gz QTAWMWPNEBONET-AAEUAGOBSA-N 0 3 290.313 3.673 20 30 CHEDHN C=C(CC)CNCc1cc(-c2ccncc2)ccc1OC ZINC000449733612 1124853724 /nfs/dbraw/zinc/85/37/24/1124853724.db2.gz IZLIMBCLWULYAS-UHFFFAOYSA-N 0 3 282.387 3.813 20 30 CHEDHN C=C(CC)CNCc1cnc(-c2ccc(C)o2)s1 ZINC000449736073 1124855435 /nfs/dbraw/zinc/85/54/35/1124855435.db2.gz VTOJVMWJODHNMS-UHFFFAOYSA-N 0 3 262.378 3.767 20 30 CHEDHN CCC[C@@](C)(CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123476420 1131315450 /nfs/dbraw/zinc/31/54/50/1131315450.db2.gz MWGMXUJUXJXXHM-IAQYHMDHSA-N 0 3 280.318 3.752 20 30 CHEDHN CC1=CC[C@@](C)(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123476798 1131315598 /nfs/dbraw/zinc/31/55/98/1131315598.db2.gz OXJHFISLAZEWJY-MLGOLLRUSA-N 0 3 290.313 3.673 20 30 CHEDHN CC(C)[C@@H]1N(Cc2ccc(C#N)o2)CC12CCCC2 ZINC000449791601 1124875623 /nfs/dbraw/zinc/87/56/23/1124875623.db2.gz POFYBAUOZWZRPV-HNNXBMFYSA-N 0 3 258.365 3.552 20 30 CHEDHN C=C(CC(C)C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC001123750459 1131319246 /nfs/dbraw/zinc/31/92/46/1131319246.db2.gz FWJKJICALWSCME-UHFFFAOYSA-N 0 3 274.408 3.597 20 30 CHEDHN N#Cc1cnc(Cl)c(CNCCC2=CCCCC2)c1 ZINC000876905037 1124988356 /nfs/dbraw/zinc/98/83/56/1124988356.db2.gz OFHPMSQVZMMLNE-UHFFFAOYSA-N 0 3 275.783 3.587 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)CCc1cncc2ccccc21 ZINC000877366361 1125024386 /nfs/dbraw/zinc/02/43/86/1125024386.db2.gz WCGPWHFJTAZTNJ-RHSMWYFYSA-N 0 3 281.403 3.838 20 30 CHEDHN CN(CCc1cccc(C#N)c1)Cc1scnc1C1CC1 ZINC000877705285 1125066917 /nfs/dbraw/zinc/06/69/17/1125066917.db2.gz YTYFBHBSWLDNIY-UHFFFAOYSA-N 0 3 297.427 3.567 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1CC(C)(C)C[C@H]1C)c1ccccc1 ZINC000878712521 1125175627 /nfs/dbraw/zinc/17/56/27/1125175627.db2.gz YYCOEHCBSDHFQA-DNVCBOLYSA-N 0 3 298.430 3.547 20 30 CHEDHN C#CCCCNC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879159500 1125199922 /nfs/dbraw/zinc/19/99/22/1125199922.db2.gz WWPVQMYYOYYGTH-UHFFFAOYSA-N 0 3 276.767 3.719 20 30 CHEDHN N#Cc1ccc(CN2CCC3(C2)CCCCC3)cc1F ZINC000404029570 1125253143 /nfs/dbraw/zinc/25/31/43/1125253143.db2.gz WNOALWAKQTXBDR-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN CC(C)C[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC001168146819 1125263494 /nfs/dbraw/zinc/26/34/94/1125263494.db2.gz STTIVKQXBHDUOY-AWEZNQCLSA-N 0 3 274.383 3.955 20 30 CHEDHN Cc1cc(F)ccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000050575233 1125318971 /nfs/dbraw/zinc/31/89/71/1125318971.db2.gz FYSPCQGOWOINQL-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(F)c1 ZINC000399014746 1125339142 /nfs/dbraw/zinc/33/91/42/1125339142.db2.gz CTDOVHNVOAQPKQ-ZDUSSCGKSA-N 0 3 268.335 3.743 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000610539399 1125352442 /nfs/dbraw/zinc/35/24/42/1125352442.db2.gz NUDZXLKURURMPK-QWHCGFSZSA-N 0 3 295.342 3.878 20 30 CHEDHN CCN(Cc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000052039145 1125373127 /nfs/dbraw/zinc/37/31/27/1125373127.db2.gz FIVKQLBOIJTWMU-UHFFFAOYSA-N 0 3 280.371 3.589 20 30 CHEDHN C=CCCC[C@@H](NCc1c[nH]nc1C)c1ccccc1 ZINC000883204952 1125377286 /nfs/dbraw/zinc/37/72/86/1125377286.db2.gz LTMWBAHIHHSVKE-QGZVFWFLSA-N 0 3 269.392 3.905 20 30 CHEDHN C=CCCCCCC[C@@H](O)CN[C@H](C)c1ccoc1 ZINC001253251714 1125424723 /nfs/dbraw/zinc/42/47/23/1125424723.db2.gz NJVUAFPMJKWKPN-GDBMZVCRSA-N 0 3 265.397 3.818 20 30 CHEDHN CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000037748291 1129264375 /nfs/dbraw/zinc/26/43/75/1129264375.db2.gz KYJJXWZIKTZOGN-INIZCTEOSA-N 0 3 266.344 3.505 20 30 CHEDHN CC[C@H](NCc1cccc(C#N)c1)c1cccs1 ZINC000037748779 1129264465 /nfs/dbraw/zinc/26/44/65/1129264465.db2.gz DJSGEAJGWKIEQY-AWEZNQCLSA-N 0 3 256.374 3.861 20 30 CHEDHN C#CCOc1ccccc1CNCc1cc(C)ccc1C ZINC000734159434 1129297234 /nfs/dbraw/zinc/29/72/34/1129297234.db2.gz NQFHHACGTWJQSD-UHFFFAOYSA-N 0 3 279.383 3.605 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000795778431 1129447664 /nfs/dbraw/zinc/44/76/64/1129447664.db2.gz OJTPKRSLADOMMC-SFHVURJKSA-N 0 3 277.371 3.584 20 30 CHEDHN C#CCN(CCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000741754280 1129451447 /nfs/dbraw/zinc/45/14/47/1129451447.db2.gz MXQZXJOBWGGPMD-QGZVFWFLSA-N 0 3 266.388 3.549 20 30 CHEDHN CC#CCN(CC)Cc1ccc(C(F)(F)F)cc1 ZINC000741779929 1129451888 /nfs/dbraw/zinc/45/18/88/1129451888.db2.gz FYRRVIPVPVGXMK-UHFFFAOYSA-N 0 3 255.283 3.551 20 30 CHEDHN CC(C)CN(CCC#N)CCCCOc1ccccc1 ZINC000741796419 1129454110 /nfs/dbraw/zinc/45/41/10/1129454110.db2.gz UZFRCISSTHFJDM-UHFFFAOYSA-N 0 3 274.408 3.717 20 30 CHEDHN C#CCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796140515 1129468524 /nfs/dbraw/zinc/46/85/24/1129468524.db2.gz ITGWAKJPLLYUSS-ZDUSSCGKSA-N 0 3 267.294 3.518 20 30 CHEDHN COc1ccc(CN[C@@H]2CCc3ccc(C)cc32)cc1C#N ZINC000742369633 1129474799 /nfs/dbraw/zinc/47/47/99/1129474799.db2.gz AQHVPMCWUFVHAO-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccncc2)c1 ZINC000743478374 1129526931 /nfs/dbraw/zinc/52/69/31/1129526931.db2.gz ZWPTWFDRYONLOL-YOEHRIQHSA-N 0 3 295.386 3.613 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccco1 ZINC000744016681 1129545207 /nfs/dbraw/zinc/54/52/07/1129545207.db2.gz RBWSVLIPARQKAN-WDEREUQCSA-N 0 3 296.351 3.869 20 30 CHEDHN N#CCCCN(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796362855 1129548673 /nfs/dbraw/zinc/54/86/73/1129548673.db2.gz YXQMLBHQBCTOQP-LJQANCHMSA-N 0 3 294.398 3.526 20 30 CHEDHN C=CCC[C@@H](C)N[C@H]1CCOc2cc(F)cc(F)c21 ZINC001258720883 1129550949 /nfs/dbraw/zinc/55/09/49/1129550949.db2.gz IEMOPYXWOBQQDB-MFKMUULPSA-N 0 3 267.319 3.733 20 30 CHEDHN C=C(Br)CNCCc1ccc(F)cc1Cl ZINC000380313201 1129716612 /nfs/dbraw/zinc/71/66/12/1129716612.db2.gz IAEDAIDLSWWVJJ-UHFFFAOYSA-N 0 3 292.579 3.520 20 30 CHEDHN CC(C)CC(=O)CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000828639569 1131394553 /nfs/dbraw/zinc/39/45/53/1131394553.db2.gz IMPZFMUAOZSNII-CQSZACIVSA-N 0 3 272.392 3.556 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651824189 1129750257 /nfs/dbraw/zinc/75/02/57/1129750257.db2.gz JOPSZRBDLHJHMJ-YJBOKZPZSA-N 0 3 296.414 3.726 20 30 CHEDHN C#CCCCN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000766894975 1129768667 /nfs/dbraw/zinc/76/86/67/1129768667.db2.gz HRXICURVSHWPMJ-OAHLLOKOSA-N 0 3 292.220 3.999 20 30 CHEDHN C#CCCCN(CC)Cc1cc(Br)ccc1F ZINC000766894949 1129769077 /nfs/dbraw/zinc/76/90/77/1129769077.db2.gz HPLJNVIIEGWADZ-UHFFFAOYSA-N 0 3 298.199 3.824 20 30 CHEDHN C#CC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000767685253 1129807713 /nfs/dbraw/zinc/80/77/13/1129807713.db2.gz GPQKONSKZGTQNZ-LJQANCHMSA-N 0 3 274.367 3.721 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137714640 1131406205 /nfs/dbraw/zinc/40/62/05/1131406205.db2.gz SJBAWOYJUMCULC-GFCCVEGCSA-N 0 3 272.779 3.667 20 30 CHEDHN CN(Cc1cc(C#N)cs1)[C@H]1C[C@H]1c1ccccc1 ZINC000770349959 1129946007 /nfs/dbraw/zinc/94/60/07/1129946007.db2.gz OQHRVYGYCFDZPY-HOTGVXAUSA-N 0 3 268.385 3.608 20 30 CHEDHN C[C@@H](C#N)OCCNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000801931320 1129961351 /nfs/dbraw/zinc/96/13/51/1129961351.db2.gz XOEHQHPIBUBEHL-JTQLQIEISA-N 0 3 299.201 3.501 20 30 CHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cnccc2C)cc1 ZINC000771390927 1129979455 /nfs/dbraw/zinc/97/94/55/1129979455.db2.gz YWTXSBGYLFOTPT-HZPDHXFCSA-N 0 3 294.398 3.814 20 30 CHEDHN CCNc1ccccc1CNCc1ccc(C)c(C#N)c1 ZINC000902657463 1130035677 /nfs/dbraw/zinc/03/56/77/1130035677.db2.gz AAVCHRCCWKGQFB-UHFFFAOYSA-N 0 3 279.387 3.588 20 30 CHEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1C ZINC000785617136 1130045456 /nfs/dbraw/zinc/04/54/56/1130045456.db2.gz ZRGRFQGVMUAGHL-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN Cc1ccc(SCCN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902727744 1130045642 /nfs/dbraw/zinc/04/56/42/1130045642.db2.gz BLRAUOARBFQTED-AWEZNQCLSA-N 0 3 297.427 3.705 20 30 CHEDHN C=CCC[C@H](NCc1nc(C)cs1)[C@@]1(C)CCCCO1 ZINC000902735482 1130047363 /nfs/dbraw/zinc/04/73/63/1130047363.db2.gz DOZAGRBJPYCDRN-GOEBONIOSA-N 0 3 294.464 3.835 20 30 CHEDHN CC[C@H](NCc1ccc2c(c1)CCO2)c1cccc(C#N)c1 ZINC000902787277 1130058020 /nfs/dbraw/zinc/05/80/20/1130058020.db2.gz ZDXOYGHPDTYHHP-SFHVURJKSA-N 0 3 292.382 3.734 20 30 CHEDHN CC[C@@H](N[C@@H](CO)c1ccccc1C)c1cccc(C#N)c1 ZINC000902830411 1130065839 /nfs/dbraw/zinc/06/58/39/1130065839.db2.gz NKMGRMKASOQPDZ-MOPGFXCFSA-N 0 3 294.398 3.641 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cc(=O)oc2cc(C)ccc12 ZINC000785997759 1130072259 /nfs/dbraw/zinc/07/22/59/1130072259.db2.gz RZBRCBSVQKUQQB-HNNXBMFYSA-N 0 3 283.371 3.642 20 30 CHEDHN C=CCCN(C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000786101407 1130078290 /nfs/dbraw/zinc/07/82/90/1130078290.db2.gz FTQLPQJCXOLGPC-UHFFFAOYSA-N 0 3 293.773 3.808 20 30 CHEDHN C[C@@H](N[C@H]1C[C@H](c2ccccc2F)C1)c1cc(C#N)ccn1 ZINC000902979372 1130094677 /nfs/dbraw/zinc/09/46/77/1130094677.db2.gz RYWQIGOGKQPIJW-BPLDGKMQSA-N 0 3 295.361 3.689 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cn(CCC)nn1 ZINC000903024680 1130101968 /nfs/dbraw/zinc/10/19/68/1130101968.db2.gz MZFBPTPMPRIXKF-WBVHZDCISA-N 0 3 298.434 3.526 20 30 CHEDHN N#CC1(CN[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000903107039 1130113444 /nfs/dbraw/zinc/11/34/44/1130113444.db2.gz ZNHARLDTGHNVFT-HIFRSBDPSA-N 0 3 274.795 3.869 20 30 CHEDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c([O-])c1 ZINC000787024613 1130125934 /nfs/dbraw/zinc/12/59/34/1130125934.db2.gz BZESUEQTWSDESL-UGSOOPFHSA-N 0 3 292.382 3.910 20 30 CHEDHN C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1[O-] ZINC000787034122 1130126602 /nfs/dbraw/zinc/12/66/02/1130126602.db2.gz RVUUBKWQHQAFKI-APPDUMDISA-N 0 3 296.345 3.741 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000787308779 1130146355 /nfs/dbraw/zinc/14/63/55/1130146355.db2.gz GEVNMIZCABDELK-GOEBONIOSA-N 0 3 270.376 3.518 20 30 CHEDHN C#CCCOc1ccc(CNc2cc(C)cc(C)n2)cc1 ZINC000746747801 1130192810 /nfs/dbraw/zinc/19/28/10/1130192810.db2.gz JLCQFCYPZMHBNM-UHFFFAOYSA-N 0 3 280.371 3.713 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001254638170 1130266626 /nfs/dbraw/zinc/26/66/26/1130266626.db2.gz XIXOBYPDLGPVNN-ZANVPECISA-N 0 3 286.272 3.626 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001254638168 1130266635 /nfs/dbraw/zinc/26/66/35/1130266635.db2.gz XIXOBYPDLGPVNN-NOZJJQNGSA-N 0 3 286.272 3.626 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)c1ccc(C)cc1)c1ccco1 ZINC000789744026 1130275171 /nfs/dbraw/zinc/27/51/71/1130275171.db2.gz ONCITGKNLKKFOQ-IRXDYDNUSA-N 0 3 285.387 3.919 20 30 CHEDHN C=CC[C@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000826947669 1130316993 /nfs/dbraw/zinc/31/69/93/1130316993.db2.gz ROMNOEOYDYIHOH-AWEZNQCLSA-N 0 3 275.392 3.579 20 30 CHEDHN C=CC[C@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000826947669 1130316999 /nfs/dbraw/zinc/31/69/99/1130316999.db2.gz ROMNOEOYDYIHOH-AWEZNQCLSA-N 0 3 275.392 3.579 20 30 CHEDHN C=CCOc1cccc(CN[C@@H](C)c2cnccc2C)c1 ZINC000678361487 1130408504 /nfs/dbraw/zinc/40/85/04/1130408504.db2.gz DFEZWNPLDFYNKF-HNNXBMFYSA-N 0 3 282.387 3.806 20 30 CHEDHN N#CC(C(=O)CCC1CCC1)c1nccc2ccccc21 ZINC000792097955 1130431462 /nfs/dbraw/zinc/43/14/62/1130431462.db2.gz ZGRSEVJBPSCXBO-MRXNPFEDSA-N 0 3 278.355 3.991 20 30 CHEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000678745382 1130449698 /nfs/dbraw/zinc/44/96/98/1130449698.db2.gz QEPAJDLKHALTFS-LSDHHAIUSA-N 0 3 289.419 3.935 20 30 CHEDHN C=CCCCNc1nc2cccc(Br)c2[nH]1 ZINC001170301340 1130477140 /nfs/dbraw/zinc/47/71/40/1130477140.db2.gz PYXRPPZEUKEAQQ-UHFFFAOYSA-N 0 3 280.169 3.704 20 30 CHEDHN CC[C@H]1COCCN1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395762 1130488328 /nfs/dbraw/zinc/48/83/28/1130488328.db2.gz PFBKEADBLZFDTO-VIQWUECVSA-N 0 3 298.430 3.501 20 30 CHEDHN C=CCOCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000679486428 1130532853 /nfs/dbraw/zinc/53/28/53/1130532853.db2.gz VAUKIVVPKRHMQK-UHFFFAOYSA-N 0 3 291.778 3.892 20 30 CHEDHN CCc1ccc([C@H](C/N=C/c2ccccc2O)N(C)C)cc1 ZINC000005292412 1130551987 /nfs/dbraw/zinc/55/19/87/1130551987.db2.gz BENDTXBPEMNUCP-ACRNLXFHSA-N 0 3 296.414 3.676 20 30 CHEDHN C=CCCCCC[C@H](C)N[C@@H](C)c1nnc2ccccn21 ZINC000793515021 1130561101 /nfs/dbraw/zinc/56/11/01/1130561101.db2.gz HRBSPCPCIMPFQX-GJZGRUSLSA-N 0 3 286.423 3.905 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1nnc2n1CCCCC2 ZINC000793517375 1130561446 /nfs/dbraw/zinc/56/14/46/1130561446.db2.gz NAGXBXSJZMMQBL-OAHLLOKOSA-N 0 3 290.455 3.619 20 30 CHEDHN CC(=NN[C@H](C)c1ccccc1)c1ccc(N)cc1C ZINC000758115242 1130597974 /nfs/dbraw/zinc/59/79/74/1130597974.db2.gz BNBDWUPZTCWQBN-CYBMUJFWSA-N 0 3 267.376 3.652 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccc(C(F)(F)F)s2)C1 ZINC000758449227 1130612862 /nfs/dbraw/zinc/61/28/62/1130612862.db2.gz YIOQXIRGAVRRLE-IUCAKERBSA-N 0 3 274.311 3.549 20 30 CHEDHN C#C[C@@H](C)N(C)C/C(C)=C\c1ccccc1OC(F)F ZINC000811495963 1130613229 /nfs/dbraw/zinc/61/32/29/1130613229.db2.gz NHEZQELITFQUKD-KXXVWKPMSA-N 0 3 279.330 3.645 20 30 CHEDHN C#C[C@H](N[C@H]1CCO[C@H](C(C)C)C1)c1ccc(Cl)cc1 ZINC000811517217 1130615346 /nfs/dbraw/zinc/61/53/46/1130615346.db2.gz LIHBZIKKLJSOMZ-ULQDDVLXSA-N 0 3 291.822 3.808 20 30 CHEDHN N#Cc1ccc(CNCc2ccc(F)c3cccnc23)cc1 ZINC000759274570 1130648419 /nfs/dbraw/zinc/64/84/19/1130648419.db2.gz GZBZOZOGGYGSBD-UHFFFAOYSA-N 0 3 291.329 3.535 20 30 CHEDHN CCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000759538997 1130662454 /nfs/dbraw/zinc/66/24/54/1130662454.db2.gz PLRCZONRBCZOEW-GFCCVEGCSA-N 0 3 282.343 3.974 20 30 CHEDHN CCCCCCCCN(C)Cc1[nH]c(C)nc1C ZINC001234626022 1130663291 /nfs/dbraw/zinc/66/32/91/1130663291.db2.gz AUAAFHSHKKOKLO-UHFFFAOYSA-N 0 3 251.418 3.819 20 30 CHEDHN C#C[C@@H](N[C@@H](C)CCc1ccco1)c1ccc(F)cc1 ZINC000812793444 1130717821 /nfs/dbraw/zinc/71/78/21/1130717821.db2.gz UKABILRJXYKFDZ-SUMWQHHRSA-N 0 3 271.335 3.704 20 30 CHEDHN N#CCCC[C@H](NCc1ccoc1)c1ccccc1 ZINC000814303920 1130862743 /nfs/dbraw/zinc/86/27/43/1130862743.db2.gz CZIPIZGHFOYCPT-INIZCTEOSA-N 0 3 254.333 3.804 20 30 CHEDHN C#CC[C@@H](NCc1ccc(F)cc1C)c1ccccc1 ZINC000784266089 1130895139 /nfs/dbraw/zinc/89/51/39/1130895139.db2.gz PKIAVOCLEVFBHF-GOSISDBHSA-N 0 3 267.347 3.988 20 30 CHEDHN CC#CCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784484144 1130906755 /nfs/dbraw/zinc/90/67/55/1130906755.db2.gz XMHKJSRCNQQFAF-CYBMUJFWSA-N 0 3 267.294 3.518 20 30 CHEDHN C=C[C@H]1CCCCN1c1ccnc2cc(OC)ccc21 ZINC000784676807 1130916260 /nfs/dbraw/zinc/91/62/60/1130916260.db2.gz POPSXWLKJMPDEL-ZDUSSCGKSA-N 0 3 268.360 3.788 20 30 CHEDHN N#CC(C(=O)C12CCC(CC1)C2)c1ccc2ccccc2n1 ZINC000784820986 1130918453 /nfs/dbraw/zinc/91/84/53/1130918453.db2.gz GNEKYEDKOSJLRC-SHBDPFAUSA-N 0 3 290.366 3.991 20 30 CHEDHN c1cc2c3c(c1)C(=NNC1CCCCC1)CC[C@@H]3CN2 ZINC000814910112 1130935595 /nfs/dbraw/zinc/93/55/95/1130935595.db2.gz QYNWMJFMQKZEMN-GFCCVEGCSA-N 0 3 269.392 3.616 20 30 CHEDHN N#Cc1ccc(-c2cncc(CN3CCCCC3)c2)c(F)c1 ZINC001236531623 1130966689 /nfs/dbraw/zinc/96/66/89/1130966689.db2.gz FNDBZPHMRXEZGO-UHFFFAOYSA-N 0 3 295.361 3.745 20 30 CHEDHN C=CCCCCN(C)Cc1cc(Cl)cc(C)n1 ZINC001236646597 1130988315 /nfs/dbraw/zinc/98/83/15/1130988315.db2.gz JWXKZGUIMRRLFA-UHFFFAOYSA-N 0 3 252.789 3.832 20 30 CHEDHN C#C[C@H](N[C@@H](C)c1ccc(F)c2ccccc21)[C@H]1CCCO1 ZINC000815617566 1131009360 /nfs/dbraw/zinc/00/93/60/1131009360.db2.gz QAUMWNBUXLYMRT-FASAQXTFSA-N 0 3 297.373 3.810 20 30 CHEDHN C=CCCCCCCCN[C@H](C)c1cc(C)n(C)n1 ZINC000815627804 1131011725 /nfs/dbraw/zinc/01/17/25/1131011725.db2.gz KDBQZOUHVQZNJP-OAHLLOKOSA-N 0 3 263.429 3.906 20 30 CHEDHN N#CCC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236842734 1131021563 /nfs/dbraw/zinc/02/15/63/1131021563.db2.gz XVVPTPLULKKPHL-UHFFFAOYSA-N 0 3 280.371 3.671 20 30 CHEDHN N#Cc1cc(CN(Cc2ccccc2)C2CCC2)ccn1 ZINC001237461793 1131101304 /nfs/dbraw/zinc/10/13/04/1131101304.db2.gz FETGOBLJLBFOBT-UHFFFAOYSA-N 0 3 277.371 3.508 20 30 CHEDHN C=CC[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccncc1 ZINC000799718495 1131104247 /nfs/dbraw/zinc/10/42/47/1131104247.db2.gz CVJKNPQLDGKYIW-SUMWQHHRSA-N 0 3 268.360 3.755 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cccc(-c3ccccc3)n2)C1 ZINC001237547804 1131113562 /nfs/dbraw/zinc/11/35/62/1131113562.db2.gz XTVBAXSZIBCENT-MRXNPFEDSA-N 0 3 276.383 3.594 20 30 CHEDHN Cc1cc(CN2CCC[C@H](C#N)CC2)ccc1OC(C)C ZINC001237727756 1131133261 /nfs/dbraw/zinc/13/32/61/1131133261.db2.gz OLMWNTQZWHGNSV-INIZCTEOSA-N 0 3 286.419 3.908 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CC3CCC(CC3)C2)c1 ZINC001237754989 1131138797 /nfs/dbraw/zinc/13/87/97/1131138797.db2.gz ZRZRQEBOJYRLPA-UHFFFAOYSA-N 0 3 274.795 3.834 20 30 CHEDHN C=CCN(C)Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1 ZINC001237823647 1131144036 /nfs/dbraw/zinc/14/40/36/1131144036.db2.gz BNYHTZYTNJZKOJ-UHFFFAOYSA-N 0 3 295.382 3.758 20 30 CHEDHN C[C@@H]1CCCCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238194266 1131179262 /nfs/dbraw/zinc/17/92/62/1131179262.db2.gz LLOLCZXIASYRAG-GFCCVEGCSA-N 0 3 262.784 3.976 20 30 CHEDHN CCN(Cc1ccc(F)cc1)Cc1ccc(C#N)c(OC)c1 ZINC001238408874 1131196341 /nfs/dbraw/zinc/19/63/41/1131196341.db2.gz FLKKWEGQLXMNFL-UHFFFAOYSA-N 0 3 298.361 3.728 20 30 CHEDHN N#CCOc1cccc(CNCc2ccc(C3CC3)cc2)c1 ZINC001117865747 1131204427 /nfs/dbraw/zinc/20/44/27/1131204427.db2.gz GHOHVZWJHXZDMK-UHFFFAOYSA-N 0 3 292.382 3.756 20 30 CHEDHN C#CCN(C)Cc1ccccc1-c1ccc(F)cc1F ZINC001238589288 1131219980 /nfs/dbraw/zinc/21/99/80/1131219980.db2.gz SZLYBKKLVKTADS-UHFFFAOYSA-N 0 3 271.310 3.697 20 30 CHEDHN C=CCCCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000829244554 1131415497 /nfs/dbraw/zinc/41/54/97/1131415497.db2.gz YKTWGTDFFRKKEF-UHFFFAOYSA-N 0 3 293.838 3.980 20 30 CHEDHN C#CCN(C)Cc1ccc(N(C)c2ccc(C)cc2)cc1 ZINC001137898544 1131431221 /nfs/dbraw/zinc/43/12/21/1131431221.db2.gz YEGUBPZKOZRHFS-UHFFFAOYSA-N 0 3 278.399 3.828 20 30 CHEDHN C#CC[C@@H]1CCCN([C@H](C)c2nc3ccccc3o2)C1 ZINC000829809822 1131433999 /nfs/dbraw/zinc/43/39/99/1131433999.db2.gz IJOYIYCTROMXOF-ZIAGYGMSSA-N 0 3 268.360 3.624 20 30 CHEDHN C#C[C@H](N[C@H]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1 ZINC000824414910 1131469571 /nfs/dbraw/zinc/46/95/71/1131469571.db2.gz DQYWNBCZAKKTHH-JYJNAYRXSA-N 0 3 277.795 3.562 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(OCC3CC3)cc2)c1 ZINC000825226800 1131503005 /nfs/dbraw/zinc/50/30/05/1131503005.db2.gz MGZDWKUJMFQJOC-UHFFFAOYSA-N 0 3 291.394 3.747 20 30 CHEDHN SC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC001138530530 1131517884 /nfs/dbraw/zinc/51/78/84/1131517884.db2.gz RIRGBMPUMWYDDE-UHFFFAOYSA-N 0 3 290.457 3.704 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)CCc2ccccc2)c1[O-] ZINC001138624565 1131527521 /nfs/dbraw/zinc/52/75/21/1131527521.db2.gz OHBRVMYNPUSRRW-UHFFFAOYSA-N 0 3 281.399 3.795 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)CCc2ccccc2)c1[O-] ZINC001138624565 1131527525 /nfs/dbraw/zinc/52/75/25/1131527525.db2.gz OHBRVMYNPUSRRW-UHFFFAOYSA-N 0 3 281.399 3.795 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCc3ccc(C)cc3C2)c1[O-] ZINC001138625842 1131527917 /nfs/dbraw/zinc/52/79/17/1131527917.db2.gz USNZRKPODRBIJO-UHFFFAOYSA-N 0 3 293.410 3.987 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCc3ccc(C)cc3C2)c1[O-] ZINC001138625842 1131527921 /nfs/dbraw/zinc/52/79/21/1131527921.db2.gz USNZRKPODRBIJO-UHFFFAOYSA-N 0 3 293.410 3.987 20 30 CHEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1[O-] ZINC001138624280 1131528388 /nfs/dbraw/zinc/52/83/88/1131528388.db2.gz AYQUZSVCLNFRPZ-GASCZTMLSA-N 0 3 293.357 3.598 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1[O-] ZINC001138624280 1131528392 /nfs/dbraw/zinc/52/83/92/1131528392.db2.gz AYQUZSVCLNFRPZ-GASCZTMLSA-N 0 3 293.357 3.598 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c1[O-] ZINC001138625631 1131528649 /nfs/dbraw/zinc/52/86/49/1131528649.db2.gz QZBZJBLRUGJNRK-CYBMUJFWSA-N 0 3 295.373 3.988 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c1[O-] ZINC001138625631 1131528653 /nfs/dbraw/zinc/52/86/53/1131528653.db2.gz QZBZJBLRUGJNRK-CYBMUJFWSA-N 0 3 295.373 3.988 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1[O-] ZINC001138628694 1131530136 /nfs/dbraw/zinc/53/01/36/1131530136.db2.gz CEIYLEJKSOAECD-GOSISDBHSA-N 0 3 294.398 3.853 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1[O-] ZINC001138628694 1131530140 /nfs/dbraw/zinc/53/01/40/1131530140.db2.gz CEIYLEJKSOAECD-GOSISDBHSA-N 0 3 294.398 3.853 20 30 CHEDHN C#CC1CCN(Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138688899 1131538335 /nfs/dbraw/zinc/53/83/35/1131538335.db2.gz LAKLGWZKWGVMLL-UHFFFAOYSA-N 0 3 272.779 3.667 20 30 CHEDHN C=CCn1cc(CNC2CCC(C(C)(C)CC)CC2)nn1 ZINC001202883442 1131570135 /nfs/dbraw/zinc/57/01/35/1131570135.db2.gz JILZGNLKFNZQQG-UHFFFAOYSA-N 0 3 290.455 3.549 20 30 CHEDHN CCc1cc(CN2CCC[C@H](CC#N)C2)cc(CC)c1O ZINC001144148139 1131591958 /nfs/dbraw/zinc/59/19/58/1131591958.db2.gz MGQQYJHHGNPIDG-CQSZACIVSA-N 0 3 286.419 3.643 20 30 CHEDHN CCCN(C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424058 1131607929 /nfs/dbraw/zinc/60/79/29/1131607929.db2.gz MHAJGYFUOCOWJM-UHFFFAOYSA-N 0 3 281.359 3.587 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139504264 1131611325 /nfs/dbraw/zinc/61/13/25/1131611325.db2.gz RDMKCQPEAKADCU-CQSZACIVSA-N 0 3 282.412 3.655 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(C(C)C)c2)C1 ZINC001139621124 1131623407 /nfs/dbraw/zinc/62/34/07/1131623407.db2.gz HEVQVYWPTSWNHK-OAHLLOKOSA-N 0 3 271.404 3.664 20 30 CHEDHN COc1ccc(CN2CCC[C@@H](C#N)CC2)cc1C(C)C ZINC001139621447 1131623583 /nfs/dbraw/zinc/62/35/83/1131623583.db2.gz MKNMREMLJNEIEA-OAHLLOKOSA-N 0 3 286.419 3.944 20 30 CHEDHN CCCN(CCc1ccccn1)Cc1cc(C#N)ccc1F ZINC001139649387 1131626974 /nfs/dbraw/zinc/62/69/74/1131626974.db2.gz CIQXVRVWLFAIMU-UHFFFAOYSA-N 0 3 297.377 3.547 20 30 CHEDHN N#Cc1cccc2c(CN3CC[C@H]3c3ccccc3)c[nH]c21 ZINC001139706162 1131630019 /nfs/dbraw/zinc/63/00/19/1131630019.db2.gz MREXHKXFILDHKW-SFHVURJKSA-N 0 3 287.366 3.987 20 30 CHEDHN N#Cc1cccc2c(CN3CC(c4ccccc4)C3)c[nH]c21 ZINC001139706537 1131631291 /nfs/dbraw/zinc/63/12/91/1131631291.db2.gz YJXOFGYSDXWMQP-UHFFFAOYSA-N 0 3 287.366 3.639 20 30 CHEDHN Cc1ccc(CN2CCC3(CCC(C)(C)O3)CC2)cc1C#N ZINC001139726024 1131631869 /nfs/dbraw/zinc/63/18/69/1131631869.db2.gz NNBVJQLQZIIIPC-UHFFFAOYSA-N 0 3 298.430 3.790 20 30 CHEDHN Cc1csc([C@H](C)N[C@@H](C)Cc2cccc(C#N)c2)n1 ZINC001171181297 1131633375 /nfs/dbraw/zinc/63/33/75/1131633375.db2.gz JIFGDESRZKPCGV-AAEUAGOBSA-N 0 3 285.416 3.605 20 30 CHEDHN C=CCn1cc(CN2CCCC[C@H]2c2ccccc2)cn1 ZINC001139766653 1131635906 /nfs/dbraw/zinc/63/59/06/1131635906.db2.gz SNYOJTPPABEPFP-SFHVURJKSA-N 0 3 281.403 3.796 20 30 CHEDHN C#CCSCCN[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000845942614 1131672311 /nfs/dbraw/zinc/67/23/11/1131672311.db2.gz UVJBZFFLYZVBFZ-OAHLLOKOSA-N 0 3 296.439 3.766 20 30 CHEDHN C#CCSCCN[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000845942613 1131672915 /nfs/dbraw/zinc/67/29/15/1131672915.db2.gz UVJBZFFLYZVBFZ-HNNXBMFYSA-N 0 3 296.439 3.766 20 30 CHEDHN N#CC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCC1 ZINC000846010055 1131677987 /nfs/dbraw/zinc/67/79/87/1131677987.db2.gz HOVBNXUDERRRBW-UHFFFAOYSA-N 0 3 280.371 3.719 20 30 CHEDHN CCOc1ccc2[nH]cc(CN3CCC[C@H](CC#N)C3)c2c1 ZINC001140270227 1131686801 /nfs/dbraw/zinc/68/68/01/1131686801.db2.gz CLPHKHZSRKISRM-CQSZACIVSA-N 0 3 297.402 3.692 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000834902416 1131725669 /nfs/dbraw/zinc/72/56/69/1131725669.db2.gz HVXOJIQUSZEBKQ-FQEVSTJZSA-N 0 3 286.378 3.707 20 30 CHEDHN C#Cc1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000834903994 1131728617 /nfs/dbraw/zinc/72/86/17/1131728617.db2.gz UQDQLFWANSVLDV-LRDDRELGSA-N 0 3 295.357 3.851 20 30 CHEDHN C[C@H](NN=C1CCCc2cc(N)ccc21)c1ccccc1 ZINC000834943498 1131737846 /nfs/dbraw/zinc/73/78/46/1131737846.db2.gz BVWXGHXXWIRXNU-ZDUSSCGKSA-N 0 3 279.387 3.660 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2c(Cl)ccc3cccnc32)C1 ZINC000847024535 1131772128 /nfs/dbraw/zinc/77/21/28/1131772128.db2.gz REMDYWLLOXRKTO-CYBMUJFWSA-N 0 3 284.790 3.733 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)CC2)cn1 ZINC001140545828 1131787163 /nfs/dbraw/zinc/78/71/63/1131787163.db2.gz MJDFYVJHYWBCTC-GOSISDBHSA-N 0 3 291.398 3.723 20 30 CHEDHN CN(Cc1cc(C#N)ccc1Cl)CC1CC(F)(F)C1 ZINC001140602712 1131823274 /nfs/dbraw/zinc/82/32/74/1131823274.db2.gz OHMOQCQNBFMGGK-UHFFFAOYSA-N 0 3 284.737 3.689 20 30 CHEDHN C#CCOc1ccccc1CN[C@H]1CCc2cc(C)ccc21 ZINC000772989668 1131849543 /nfs/dbraw/zinc/84/95/43/1131849543.db2.gz YRLOCKOCGDEZQI-IBGZPJMESA-N 0 3 291.394 3.784 20 30 CHEDHN C=C[C@H](C)Oc1ccc2ccccc2c1CN(C)C ZINC001228440592 1131884126 /nfs/dbraw/zinc/88/41/26/1131884126.db2.gz FUMVFEUALIJMHH-ZDUSSCGKSA-N 0 3 255.361 3.855 20 30 CHEDHN N#CCC1(N[C@@H]2CCc3c(F)cc(F)cc3C2)CCCC1 ZINC001171361535 1131913004 /nfs/dbraw/zinc/91/30/04/1131913004.db2.gz YZAOYGFVRSXAIW-CQSZACIVSA-N 0 3 290.357 3.638 20 30 CHEDHN N#Cc1cccc(CN2CC[C@H]3CCC[C@H]3C2)c1Cl ZINC001140810683 1131932294 /nfs/dbraw/zinc/93/22/94/1131932294.db2.gz CEABWWXMAQJCRP-OCCSQVGLSA-N 0 3 274.795 3.834 20 30 CHEDHN CC(=NN[C@H]1CCCCC1(C)C)c1ccc(N)cc1 ZINC000773127253 1131953753 /nfs/dbraw/zinc/95/37/53/1131953753.db2.gz ZPLVHZJXQVCDIQ-HNNXBMFYSA-N 0 3 259.397 3.551 20 30 CHEDHN C=C[C@H](CCCC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228946008 1131983600 /nfs/dbraw/zinc/98/36/00/1131983600.db2.gz ZLGQIPZXYVNVOE-MRXNPFEDSA-N 0 3 259.393 3.798 20 30 CHEDHN C=CCC[C@@H](CC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228945900 1131983968 /nfs/dbraw/zinc/98/39/68/1131983968.db2.gz XNERTRVVFLLEIV-MRXNPFEDSA-N 0 3 259.393 3.798 20 30 CHEDHN C=CCC(CC=C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229305767 1132049755 /nfs/dbraw/zinc/04/97/55/1132049755.db2.gz DMWMUIYFOUMNNK-UHFFFAOYSA-N 0 3 287.403 3.721 20 30 CHEDHN Cc1cccc(CN2CCC(C#Cc3ccccc3)CC2)n1 ZINC001204071023 1132070700 /nfs/dbraw/zinc/07/07/00/1132070700.db2.gz QDUJWVJQQLGWPO-UHFFFAOYSA-N 0 3 290.410 3.654 20 30 CHEDHN CC[C@H](C#Cc1ccccc1)Oc1ccccc1CN(C)C ZINC001229700994 1132107402 /nfs/dbraw/zinc/10/74/02/1132107402.db2.gz GLGKAEYBYWZUJP-LJQANCHMSA-N 0 3 293.410 3.957 20 30 CHEDHN CCCCCCC[C@@H](CC)N1CC[C@@H](O)[C@H](F)C1 ZINC001172357657 1132185305 /nfs/dbraw/zinc/18/53/05/1132185305.db2.gz LLWCFBNVINVYSB-RBSFLKMASA-N 0 3 259.409 3.530 20 30 CHEDHN C[C@H](CCCC#N)NCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001172488130 1132246020 /nfs/dbraw/zinc/24/60/20/1132246020.db2.gz JGYRRLQAEXCRFG-SNVBAGLBSA-N 0 3 299.201 3.848 20 30 CHEDHN C[C@H](CCCC#N)N1CCc2cccc(Cl)c2C1 ZINC001172497776 1132248471 /nfs/dbraw/zinc/24/84/71/1132248471.db2.gz FQZGQWBWJOLREC-GFCCVEGCSA-N 0 3 262.784 3.780 20 30 CHEDHN CCCCCCCC[C@@H](CC)n1cc(CN)cnc1=N ZINC001172503643 1132252839 /nfs/dbraw/zinc/25/28/39/1132252839.db2.gz SPESKDGTSDFZOR-OAHLLOKOSA-N 0 3 278.444 3.523 20 30 CHEDHN CCCCCCCC[C@@H](CC)N1CC[C@@H](O)[C@H](F)C1 ZINC001172504547 1132254643 /nfs/dbraw/zinc/25/46/43/1132254643.db2.gz GFNAMFRLMGWGDZ-BZUAXINKSA-N 0 3 273.436 3.920 20 30 CHEDHN C=CCN(Cc1c[nH]c2cccnc12)Cc1ccccc1 ZINC001231491367 1132304224 /nfs/dbraw/zinc/30/42/24/1132304224.db2.gz PBLAKMUOLRDDAH-UHFFFAOYSA-N 0 3 277.371 3.751 20 30 CHEDHN C=CCN(Cc1ccc(OC(C)C)nc1)C(C)(C)C ZINC001231537890 1132316493 /nfs/dbraw/zinc/31/64/93/1132316493.db2.gz SSDUVYFARVEXHA-UHFFFAOYSA-N 0 3 262.397 3.655 20 30 CHEDHN C=CCOc1cccc(CN(C)CCOc2ccccc2)c1 ZINC001231623718 1132329620 /nfs/dbraw/zinc/32/96/20/1132329620.db2.gz RLRRABZEWPXING-UHFFFAOYSA-N 0 3 297.398 3.762 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000841894483 1132400934 /nfs/dbraw/zinc/40/09/34/1132400934.db2.gz PVHCNAWNUBEMPE-QGZVFWFLSA-N 0 3 296.345 3.570 20 30 CHEDHN CCCCCCCN(CC)Cc1ccc(C(=O)OC)o1 ZINC001142624647 1132414789 /nfs/dbraw/zinc/41/47/89/1132414789.db2.gz BQSHUTQGDCQDHY-UHFFFAOYSA-N 0 3 281.396 3.859 20 30 CHEDHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232120070 1132426113 /nfs/dbraw/zinc/42/61/13/1132426113.db2.gz LVTYBRCNEVESHQ-NWDGAFQWSA-N 0 3 262.784 3.832 20 30 CHEDHN CN(Cc1cnc(Cl)s1)C1CCC(CC#N)CC1 ZINC001173330995 1132464061 /nfs/dbraw/zinc/46/40/61/1132464061.db2.gz IZMQURRCZHWKDU-UHFFFAOYSA-N 0 3 283.828 3.701 20 30 CHEDHN C=CCN(Cc1ccc(Br)c(C)n1)C(C)(C)C ZINC001232671317 1132502383 /nfs/dbraw/zinc/50/23/83/1132502383.db2.gz OMMPAUPIBDPZQL-UHFFFAOYSA-N 0 3 297.240 3.939 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cncc(-c3ccccc3)c2)C1 ZINC001232902461 1132539905 /nfs/dbraw/zinc/53/99/05/1132539905.db2.gz LUQODQHKWJOFBE-INIZCTEOSA-N 0 3 276.383 3.594 20 30 CHEDHN Cc1ccc(CN(C)CC2CCCCC2)c(C#N)c1 ZINC001232967633 1132551881 /nfs/dbraw/zinc/55/18/81/1132551881.db2.gz SZWLEVYEOGJCHE-UHFFFAOYSA-N 0 3 256.393 3.879 20 30 CHEDHN Cc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c(C#N)c1 ZINC001232968373 1132552074 /nfs/dbraw/zinc/55/20/74/1132552074.db2.gz HPJGJVTWSXREAY-HDICACEKSA-N 0 3 288.394 3.953 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC2(CCC(=O)CC2)CC1 ZINC001233082589 1132572811 /nfs/dbraw/zinc/57/28/11/1132572811.db2.gz SBVIMVOXBVZFDB-UHFFFAOYSA-N 0 3 296.414 3.592 20 30 CHEDHN C=CCN(Cc1cccc(O)c1OC)C1CCCCC1 ZINC001233258014 1132590835 /nfs/dbraw/zinc/59/08/35/1132590835.db2.gz NBEOKTGWDBFBOB-UHFFFAOYSA-N 0 3 275.392 3.722 20 30 CHEDHN CN(C)Cc1ccccc1Nc1ccc(F)c(C#N)c1F ZINC001173930947 1132644074 /nfs/dbraw/zinc/64/40/74/1132644074.db2.gz CEFGEQAAZNMYJU-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN Cc1cc(C#N)cc(C)c1Nc1ccccc1CN(C)C ZINC001173931937 1132644917 /nfs/dbraw/zinc/64/49/17/1132644917.db2.gz NHOIZMXGMMTGGU-UHFFFAOYSA-N 0 3 279.387 3.980 20 30 CHEDHN N#CCCCN1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000259355902 1132662963 /nfs/dbraw/zinc/66/29/63/1132662963.db2.gz YZDJPEGQUAXDAN-UHFFFAOYSA-N 0 3 265.360 3.561 20 30 CHEDHN Cc1cc(C)nc(N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001159911289 1132923163 /nfs/dbraw/zinc/92/31/63/1132923163.db2.gz AZAIESYTBRQKJM-MRXNPFEDSA-N 0 3 263.344 3.670 20 30 CHEDHN C=C1CCC(F)=CC1=Nc1ccc(CN2CCCC2)cn1 ZINC001160721404 1132979548 /nfs/dbraw/zinc/97/95/48/1132979548.db2.gz XOYBIUBLPYJARB-UHFFFAOYSA-N 0 3 285.366 3.787 20 30 CHEDHN C[C@H](N)c1nc2ccccc2n1-c1ccc(CCC#N)cc1 ZINC001162765710 1133109936 /nfs/dbraw/zinc/10/99/36/1133109936.db2.gz IHIAJTDELHKLSP-ZDUSSCGKSA-N 0 3 290.370 3.501 20 30 CHEDHN Cc1ccc(CNCc2c(C)cccc2C)cc1C#N ZINC001203639806 1133346395 /nfs/dbraw/zinc/34/63/95/1133346395.db2.gz RWQJZAJARRXRGF-UHFFFAOYSA-N 0 3 264.372 3.773 20 30 CHEDHN Cc1[nH]c2ccccc2c1CN(C)Cc1ccc(C#N)cc1 ZINC001204288003 1133428796 /nfs/dbraw/zinc/42/87/96/1133428796.db2.gz IFWQHKJCPFKGNM-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN CN(C/C=C\c1cccc(F)c1)Cc1cccc(C#N)c1 ZINC001205077792 1133525470 /nfs/dbraw/zinc/52/54/70/1133525470.db2.gz SVASORIGNYHNBP-YWEYNIOJSA-N 0 3 280.346 3.843 20 30 CHEDHN N#Cc1ccc2c(c1)CN(CCCc1cccc(F)c1)CC2 ZINC001207599219 1133825698 /nfs/dbraw/zinc/82/56/98/1133825698.db2.gz AQVFVNSBFLYZFF-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2nc3ccccc3o2)C1 ZINC001207604275 1133828387 /nfs/dbraw/zinc/82/83/87/1133828387.db2.gz NZCFDPITUPFMSB-OLZOCXBDSA-N 0 3 256.349 3.662 20 30 CHEDHN N#Cc1ccc2c(c1)CN(CCCCc1ccccc1)CC2 ZINC001207614491 1133833001 /nfs/dbraw/zinc/83/30/01/1133833001.db2.gz YKUZRZINIXXUEX-UHFFFAOYSA-N 0 3 290.410 3.939 20 30 CHEDHN C[C@H](CN1CC(CC#N)C1)c1cccc2ccccc21 ZINC001208708654 1133935079 /nfs/dbraw/zinc/93/50/79/1133935079.db2.gz ZZFNJDRKGNTIKM-CQSZACIVSA-N 0 3 264.372 3.789 20 30 CHEDHN C=CCN(CC=C)Cc1cccc2[nH]cc(Cl)c21 ZINC001209654843 1134046678 /nfs/dbraw/zinc/04/66/78/1134046678.db2.gz MWPZXOXSFIQEIL-UHFFFAOYSA-N 0 3 260.768 3.995 20 30 CHEDHN Cc1nc2ccc(Nc3ccc(C)cc3C#N)cc2[nH]1 ZINC001213073194 1134421545 /nfs/dbraw/zinc/42/15/45/1134421545.db2.gz ITTZIJLAGPCPQX-UHFFFAOYSA-N 0 3 262.316 3.795 20 30 CHEDHN CC(C)(C)c1cc(Nc2ccc(C#N)cc2)ccn1 ZINC001213166650 1134433541 /nfs/dbraw/zinc/43/35/41/1134433541.db2.gz HYUKLGPNYXMCHD-UHFFFAOYSA-N 0 3 251.333 3.994 20 30 CHEDHN CCc1cc(Nc2ccccc2CN(C)C)ccc1C#N ZINC001216316455 1134850762 /nfs/dbraw/zinc/85/07/62/1134850762.db2.gz GKJLMJCOZZKHPD-UHFFFAOYSA-N 0 3 279.387 3.926 20 30 CHEDHN N#Cc1ccc(CNC/C=C/c2ccccc2)cc1F ZINC000404095551 1134921392 /nfs/dbraw/zinc/92/13/92/1134921392.db2.gz ANRAODUIHZPRIJ-QPJJXVBHSA-N 0 3 266.319 3.500 20 30 CHEDHN CCCCCCCC(=O)c1ccc(OC2CNC2)cc1 ZINC001218050568 1135049944 /nfs/dbraw/zinc/04/99/44/1135049944.db2.gz VYQNJXNFKWXAGO-UHFFFAOYSA-N 0 3 275.392 3.580 20 30 CHEDHN C=CCc1ccccc1O[C@@H]1CNCc2ccccc21 ZINC001218486581 1135114713 /nfs/dbraw/zinc/11/47/13/1135114713.db2.gz FAHVPVZESUNRFP-GOSISDBHSA-N 0 3 265.356 3.638 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc2ccccc2n1C ZINC001218724814 1135120639 /nfs/dbraw/zinc/12/06/39/1135120639.db2.gz LMBUWPIOSMFOFB-HNNXBMFYSA-N 0 3 299.418 3.581 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001220288583 1135149480 /nfs/dbraw/zinc/14/94/80/1135149480.db2.gz BQNVDRNPWDYLJG-PMPSAXMXSA-N 0 3 294.483 3.781 20 30 CHEDHN C=CCCCCO[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001224334852 1135440951 /nfs/dbraw/zinc/44/09/51/1135440951.db2.gz GQERFBBHUONABL-JKSUJKDBSA-N 0 3 274.408 3.590 20 30 CHEDHN CCCCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224387336 1135444267 /nfs/dbraw/zinc/44/42/67/1135444267.db2.gz RWLYYFRDEDRHFT-USXIJHARSA-N 0 3 281.440 3.558 20 30 CHEDHN N#Cc1ccccc1OC(C(=O)c1ccco1)c1ccco1 ZINC001225198366 1135511595 /nfs/dbraw/zinc/51/15/95/1135511595.db2.gz GYDTUMRESUVTJB-KRWDZBQOSA-N 0 3 293.278 3.747 20 30 CHEDHN N#Cc1ccccc1OC(C(=O)c1ccco1)c1ccco1 ZINC001225198371 1135511656 /nfs/dbraw/zinc/51/16/56/1135511656.db2.gz GYDTUMRESUVTJB-QGZVFWFLSA-N 0 3 293.278 3.747 20 30 CHEDHN Cc1cccc(O[C@@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC001226923776 1135762232 /nfs/dbraw/zinc/76/22/32/1135762232.db2.gz ZSVFARZFJQFMGP-QGZVFWFLSA-N 0 3 292.382 3.520 20 30 CHEDHN CN(Cc1cc(C#N)cs1)C1CCC(F)(F)CC1 ZINC000336622373 529976188 /nfs/dbraw/zinc/97/61/88/529976188.db2.gz ARKHRNYPJCRWFP-UHFFFAOYSA-N 0 3 270.348 3.629 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000345752486 533115256 /nfs/dbraw/zinc/11/52/56/533115256.db2.gz AOKFNIKKZIMIEG-YJBOKZPZSA-N 0 3 292.382 3.636 20 30 CHEDHN COc1cc(C#N)ccc1CN(C)C1CCC(C)CC1 ZINC000347317713 533494425 /nfs/dbraw/zinc/49/44/25/533494425.db2.gz VOAWWXJELQZMAL-UHFFFAOYSA-N 0 3 272.392 3.577 20 30 CHEDHN Cc1cc(CN2CCC(C)(C#N)CC2)cc2cccnc12 ZINC000335996229 533592828 /nfs/dbraw/zinc/59/28/28/533592828.db2.gz IFUSHVQKGXDBAR-UHFFFAOYSA-N 0 3 279.387 3.669 20 30 CHEDHN Cc1[nH]c2ccc(CN[C@H]3CC[C@@H](C#N)C3)cc2c1C ZINC000336170480 533623674 /nfs/dbraw/zinc/62/36/74/533623674.db2.gz GWDYGLUNWMBJNK-HIFRSBDPSA-N 0 3 267.376 3.567 20 30 CHEDHN C[C@H]1CCCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000042862843 174893819 /nfs/dbraw/zinc/89/38/19/174893819.db2.gz RLWPUIVMRUFGDH-GXTWGEPZSA-N 0 3 260.356 3.613 20 30 CHEDHN N#Cc1ccc(CNC[C@@H]2CCc3ccccc32)c(F)c1 ZINC000344359246 225042430 /nfs/dbraw/zinc/04/24/30/225042430.db2.gz YBJNDFJLHQPUJN-HNNXBMFYSA-N 0 3 280.346 3.517 20 30 CHEDHN Cc1ccc(C)c([C@@H]2CCCN2CC2(C#N)CC2)c1 ZINC000347485181 226181956 /nfs/dbraw/zinc/18/19/56/226181956.db2.gz RLGHRLMTDCRSGS-INIZCTEOSA-N 0 3 254.377 3.744 20 30 CHEDHN N#CC1(CCN2CCSC[C@@H]2C2CC2)CCCCC1 ZINC000411788273 262706644 /nfs/dbraw/zinc/70/66/44/262706644.db2.gz MDEMUPNYPVXGQH-OAHLLOKOSA-N 0 3 278.465 3.678 20 30 CHEDHN N#CC1(c2ccccn2)CCN([C@@H]2/C=C/CCCCC2)CC1 ZINC000336511125 227080050 /nfs/dbraw/zinc/08/00/50/227080050.db2.gz YBYCNHILAIFKFP-IOMDMTNGSA-N 0 3 295.430 3.828 20 30 CHEDHN Cc1ccsc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000336579561 227130616 /nfs/dbraw/zinc/13/06/16/227130616.db2.gz CHKBEPAPRYFPBC-OAHLLOKOSA-N 0 3 268.385 3.705 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000352819194 227256509 /nfs/dbraw/zinc/25/65/09/227256509.db2.gz ADGOLCBVIJSPIP-ZBFHGGJFSA-N 0 3 297.427 3.516 20 30 CHEDHN O=C(Nc1ccc2c[nH]nc2c1)[C@H]1CCCN1C1CCCC1 ZINC000330129677 228045452 /nfs/dbraw/zinc/04/54/52/228045452.db2.gz KDNCGAGRHVYXFU-MRXNPFEDSA-N 0 3 298.390 3.558 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccc3)C2)o1 ZINC000353640289 228136855 /nfs/dbraw/zinc/13/68/55/228136855.db2.gz CCCAHDGLTPDTHD-HNNXBMFYSA-N 0 3 266.344 3.531 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCC1(C(F)(F)F)CCC1)CC2 ZINC000353669240 228142311 /nfs/dbraw/zinc/14/23/11/228142311.db2.gz UANKRZPIINXSPD-AWEZNQCLSA-N 0 3 294.320 3.868 20 30 CHEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000037748680 260116066 /nfs/dbraw/zinc/11/60/66/260116066.db2.gz MSDXJFJFLUYDDK-KRWDZBQOSA-N 0 3 268.335 3.938 20 30 CHEDHN CN(CCCCC#N)Cc1ccc(Br)s1 ZINC000057642214 260225361 /nfs/dbraw/zinc/22/53/61/260225361.db2.gz LQZVJQVKFFBUPV-UHFFFAOYSA-N 0 3 287.226 3.636 20 30 CHEDHN CC(C)C1CCC(N2CCN(CCCCC#N)CC2)CC1 ZINC000084680635 260366224 /nfs/dbraw/zinc/36/62/24/260366224.db2.gz PUQHXSBIQASQPC-UHFFFAOYSA-N 0 3 291.483 3.513 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000128374538 260374266 /nfs/dbraw/zinc/37/42/66/260374266.db2.gz NEAVDMOBGFNNES-SECBINFHSA-N 0 3 257.164 3.948 20 30 CHEDHN CCC1(C)CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000130459665 260397098 /nfs/dbraw/zinc/39/70/98/260397098.db2.gz PHKAZLHFXXOWLH-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN C=CCC[C@H](C)NCc1nc2cc(Cl)ccc2n1C ZINC000427882006 260871747 /nfs/dbraw/zinc/87/17/47/260871747.db2.gz LEZUMDIOUHTFSL-NSHDSACASA-N 0 3 277.799 3.671 20 30 CHEDHN C[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)cc1 ZINC000302735352 261354870 /nfs/dbraw/zinc/35/48/70/261354870.db2.gz GQXWHMAGDYKJJI-AWEZNQCLSA-N 0 3 250.345 3.751 20 30 CHEDHN C=CCSCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000180459412 261424639 /nfs/dbraw/zinc/42/46/39/261424639.db2.gz QQZCPSWHSDIHQW-AWEZNQCLSA-N 0 3 280.393 3.555 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000497197205 262099916 /nfs/dbraw/zinc/09/99/16/262099916.db2.gz DQAWPIZLJZCNIW-UHFFFAOYSA-N 0 3 286.331 3.863 20 30 CHEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(F)c1 ZINC000188181041 262150424 /nfs/dbraw/zinc/15/04/24/262150424.db2.gz SFMPBQAOKTXOQG-GOSISDBHSA-N 0 3 298.361 3.969 20 30 CHEDHN CC[C@@H](CC#N)NC[C@H](C)c1cccc(Cl)c1 ZINC000188487026 262157416 /nfs/dbraw/zinc/15/74/16/262157416.db2.gz NPTVDVGQJYTIPN-FZMZJTMJSA-N 0 3 250.773 3.725 20 30 CHEDHN N#CCC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000193039327 262214873 /nfs/dbraw/zinc/21/48/73/262214873.db2.gz SCBYFEQLXFJBGK-BHYGNILZSA-N 0 3 267.376 3.703 20 30 CHEDHN Cc1oc2ccccc2c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000193296750 262220276 /nfs/dbraw/zinc/22/02/76/262220276.db2.gz BCBLOIPNZSWADB-KGLIPLIRSA-N 0 3 268.360 3.913 20 30 CHEDHN COC[C@@H](NCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000193688803 262226075 /nfs/dbraw/zinc/22/60/75/262226075.db2.gz RHKJRVTXIICDOP-OAHLLOKOSA-N 0 3 294.826 3.947 20 30 CHEDHN CC(C)(C)[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000525785699 262235503 /nfs/dbraw/zinc/23/55/03/262235503.db2.gz HRUXUVPREWLELR-OAHLLOKOSA-N 0 3 260.356 3.708 20 30 CHEDHN CC[C@@H](CC#N)NC1CCN(c2ccc(Cl)cc2)CC1 ZINC000365044436 262268229 /nfs/dbraw/zinc/26/82/29/262268229.db2.gz NIVKHQNCFTYTAF-AWEZNQCLSA-N 0 3 291.826 3.591 20 30 CHEDHN C=CCOCCN1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000339009371 262581454 /nfs/dbraw/zinc/58/14/54/262581454.db2.gz BFAIWRMUODBZRE-ZFWWWQNUSA-N 0 3 263.381 3.564 20 30 CHEDHN N#CC1(CCN2CCC[C@@H](OCC3CC3)C2)CCCCC1 ZINC000411571412 262699141 /nfs/dbraw/zinc/69/91/41/262699141.db2.gz PHVOCBWOSQLXPX-QGZVFWFLSA-N 0 3 290.451 3.742 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1csc(Cl)c1 ZINC000414161303 262819043 /nfs/dbraw/zinc/81/90/43/262819043.db2.gz FEFTVNPMQSDUMX-SECBINFHSA-N 0 3 256.802 3.992 20 30 CHEDHN C=CCC[C@H](CCC)NCc1nnc(C2CC2)s1 ZINC000414320840 262843106 /nfs/dbraw/zinc/84/31/06/262843106.db2.gz CXBZGBQSVZTDMN-LBPRGKRZSA-N 0 3 265.426 3.640 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000271995582 263001056 /nfs/dbraw/zinc/00/10/56/263001056.db2.gz FXVXSWTXTSVPGV-JTQLQIEISA-N 0 3 252.308 3.555 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1cccc(OC(F)F)c1 ZINC000272009478 263001071 /nfs/dbraw/zinc/00/10/71/263001071.db2.gz JWOMHISCVZMSLD-NSHDSACASA-N 0 3 282.334 3.878 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1cccc(N2CCCC2)c1 ZINC000272025049 263001347 /nfs/dbraw/zinc/00/13/47/263001347.db2.gz NQUQUEBQCCSUSO-HNNXBMFYSA-N 0 3 285.435 3.877 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1ccccc1OC(F)F ZINC000272049176 263001742 /nfs/dbraw/zinc/00/17/42/263001742.db2.gz SZTXQLBZBAIQAD-NSHDSACASA-N 0 3 282.334 3.878 20 30 CHEDHN CCN(CC)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000272545697 263006272 /nfs/dbraw/zinc/00/62/72/263006272.db2.gz QCRWZLZCONHTOZ-UHFFFAOYSA-N 0 3 285.435 3.658 20 30 CHEDHN C[C@@H](CCc1cccc(F)c1)N1CCC(C)(C#N)CC1 ZINC000272816405 263009108 /nfs/dbraw/zinc/00/91/08/263009108.db2.gz BPUBDMRINRFRLQ-AWEZNQCLSA-N 0 3 274.383 3.772 20 30 CHEDHN Cc1cc(F)ccc1-c1ccc(CNCCCC#N)o1 ZINC000273052984 263011745 /nfs/dbraw/zinc/01/17/45/263011745.db2.gz KUTNNZZAQQBJOS-UHFFFAOYSA-N 0 3 272.323 3.788 20 30 CHEDHN COc1ccc(CNCCCC#N)cc1OCCC(C)C ZINC000273069066 263012067 /nfs/dbraw/zinc/01/20/67/263012067.db2.gz NZYANFOUGDIQOZ-UHFFFAOYSA-N 0 3 290.407 3.513 20 30 CHEDHN CC(C)Oc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274217522 263022137 /nfs/dbraw/zinc/02/21/37/263022137.db2.gz PDHFOMIBESTXQX-HZPDHXFCSA-N 0 3 272.392 3.646 20 30 CHEDHN CCN(CCC(C)(C)C#N)[C@H](C)Cc1ccsc1 ZINC000275177492 263032783 /nfs/dbraw/zinc/03/27/83/263032783.db2.gz WGCGALBQHBBLKW-CYBMUJFWSA-N 0 3 264.438 3.941 20 30 CHEDHN C[C@H](CN1CCC(C)(C#N)CC1)c1ccc(F)cc1 ZINC000276340945 263036469 /nfs/dbraw/zinc/03/64/69/263036469.db2.gz YTVNNSRGPHQSPI-CYBMUJFWSA-N 0 3 260.356 3.555 20 30 CHEDHN CSc1ccc([C@H](C)NCCC(C)(C)C#N)cc1 ZINC000281273314 263067823 /nfs/dbraw/zinc/06/78/23/263067823.db2.gz FXZGDYIWSZGZJA-LBPRGKRZSA-N 0 3 262.422 3.999 20 30 CHEDHN C=CCOc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000340106044 263070976 /nfs/dbraw/zinc/07/09/76/263070976.db2.gz PJBFBGSKXFRGNW-LJQANCHMSA-N 0 3 294.398 3.887 20 30 CHEDHN Cc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)c([O-])c1C ZINC000282258147 263075332 /nfs/dbraw/zinc/07/53/32/263075332.db2.gz JUCZQINDFGKQFA-FHERZECASA-N 0 3 286.419 3.990 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1cc2ccccc2o1 ZINC000282335173 263076029 /nfs/dbraw/zinc/07/60/29/263076029.db2.gz OKPWAGVGGRQWBK-DYEKYZERSA-N 0 3 254.333 3.776 20 30 CHEDHN C[C@H](NCC1CCC(C#N)CC1)c1ccc(F)cc1F ZINC000282437191 263076708 /nfs/dbraw/zinc/07/67/08/263076708.db2.gz NJLPZPKTUCNBBS-HIFPTAJRSA-N 0 3 278.346 3.945 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000289494598 263110630 /nfs/dbraw/zinc/11/06/30/263110630.db2.gz SVWCPSOLILRQSK-AWEZNQCLSA-N 0 3 281.359 3.828 20 30 CHEDHN N#C[C@H]1CC[C@H](N2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000293061279 263137746 /nfs/dbraw/zinc/13/77/46/263137746.db2.gz LDTNTPZCVMPWEE-WFASDCNBSA-N 0 3 290.357 3.836 20 30 CHEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccnn1C ZINC000340446415 263152840 /nfs/dbraw/zinc/15/28/40/263152840.db2.gz OHLTUPYMHYNKQV-GDBMZVCRSA-N 0 3 282.391 3.506 20 30 CHEDHN CSc1ccccc1CN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000294076869 263155610 /nfs/dbraw/zinc/15/56/10/263155610.db2.gz KZZJCHTXVMUTKJ-OCCSQVGLSA-N 0 3 260.406 3.533 20 30 CHEDHN C[C@@H]1C[C@H]1[C@@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000294768387 263167369 /nfs/dbraw/zinc/16/73/69/263167369.db2.gz YYNWTQAKNOWCRS-WQVCFCJDSA-N 0 3 292.810 3.557 20 30 CHEDHN CC(C)c1nc([C@H](C)N[C@H]2CC[C@@H](CC#N)C2)cs1 ZINC000296321682 263190141 /nfs/dbraw/zinc/19/01/41/263190141.db2.gz GWFIHHZJFFOAQF-AVGNSLFASA-N 0 3 277.437 3.999 20 30 CHEDHN C[C@@H](CCC#N)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000297960989 263213253 /nfs/dbraw/zinc/21/32/53/263213253.db2.gz ULVKYSPPZMMMEV-LBPRGKRZSA-N 0 3 294.345 3.500 20 30 CHEDHN C[C@H](NC[C@@H]1CCCC1(F)F)c1ccc(C#N)c(F)c1 ZINC000453312803 263227455 /nfs/dbraw/zinc/22/74/55/263227455.db2.gz CELPERCKMNFQTH-GWCFXTLKSA-N 0 3 282.309 3.783 20 30 CHEDHN C[C@H](CCC#N)N(C)Cc1ccc(Cl)c(F)c1 ZINC000299648451 263250668 /nfs/dbraw/zinc/25/06/68/263250668.db2.gz KUDPIILCCAUKOK-SNVBAGLBSA-N 0 3 254.736 3.603 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccccc1OC(F)F ZINC000299696325 263252008 /nfs/dbraw/zinc/25/20/08/263252008.db2.gz OKRPTLPPHHLCRM-QWRGUYRKSA-N 0 3 268.307 3.631 20 30 CHEDHN CC(C)Oc1ccc([C@H](C)N[C@H](C)CCC#N)cc1 ZINC000299731807 263254075 /nfs/dbraw/zinc/25/40/75/263254075.db2.gz XKEPMBFOTBBREW-KGLIPLIRSA-N 0 3 260.381 3.817 20 30 CHEDHN C=CCCC[C@@H](C)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000340903578 263308867 /nfs/dbraw/zinc/30/88/67/263308867.db2.gz WBKMIGMZZHJBOI-KUHUBIRLSA-N 0 3 279.449 3.601 20 30 CHEDHN Cc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000425367328 264211807 /nfs/dbraw/zinc/21/18/07/264211807.db2.gz SKTITJNKTPTZJK-OAHLLOKOSA-N 0 3 289.382 3.931 20 30 CHEDHN N#CCCN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000426003167 264300740 /nfs/dbraw/zinc/30/07/40/264300740.db2.gz REYNAPHRILOYMK-KBPBESRZSA-N 0 3 282.309 3.845 20 30 CHEDHN CCS[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N ZINC000189482759 264302557 /nfs/dbraw/zinc/30/25/57/264302557.db2.gz PMAYGJBIQUPHMR-HZPDHXFCSA-N 0 3 292.423 3.851 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000189514076 264303324 /nfs/dbraw/zinc/30/33/24/264303324.db2.gz VLXLRNNYHCYVEU-JKSUJKDBSA-N 0 3 280.371 3.652 20 30 CHEDHN Cn1cc(CN[C@@H](c2ccccc2)C(C)(C)C)cc1C#N ZINC000189583557 264309863 /nfs/dbraw/zinc/30/98/63/264309863.db2.gz BGXHQJLNEPTAON-KRWDZBQOSA-N 0 3 281.403 3.774 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000349846955 265210709 /nfs/dbraw/zinc/21/07/09/265210709.db2.gz DYRKMLAHMGWLNB-KDOFPFPSSA-N 0 3 277.371 3.530 20 30 CHEDHN CCc1nc2ccccc2c(NCC2(CC#N)CC2)c1C ZINC000519454132 265438963 /nfs/dbraw/zinc/43/89/63/265438963.db2.gz PXWUDOHKXOSZPS-UHFFFAOYSA-N 0 3 279.387 3.633 20 30 CHEDHN C=C(C)CN(C)Cc1cccc(-c2ccncc2)c1 ZINC000353166995 266035344 /nfs/dbraw/zinc/03/53/44/266035344.db2.gz XQZZJCICRUXCLT-UHFFFAOYSA-N 0 3 252.361 3.757 20 30 CHEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CC1(C)C ZINC000356402720 266107602 /nfs/dbraw/zinc/10/76/02/266107602.db2.gz ZFGPLTKYLBYCIL-CYBMUJFWSA-N 0 3 282.309 3.807 20 30 CHEDHN C=CCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472862 266292483 /nfs/dbraw/zinc/29/24/83/266292483.db2.gz LUIRCNBGLPFQMM-OAHLLOKOSA-N 0 3 283.419 3.983 20 30 CHEDHN C[C@@H]1CC[C@@H](NCc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000360329160 266706201 /nfs/dbraw/zinc/70/62/01/266706201.db2.gz KGVBIOAILMMLSV-BFQNTYOBSA-N 0 3 260.356 3.612 20 30 CHEDHN Cc1ccc2c(C3=CCN(CCCC#N)CC3)c[nH]c2c1 ZINC000363013345 267072793 /nfs/dbraw/zinc/07/27/93/267072793.db2.gz JNHIIQLRWRJTHL-UHFFFAOYSA-N 0 3 279.387 3.869 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000367973851 267131696 /nfs/dbraw/zinc/13/16/96/267131696.db2.gz QRYMPKJZYPPULQ-CXAGYDPISA-N 0 3 284.403 3.598 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCSC1 ZINC000369492849 267246324 /nfs/dbraw/zinc/24/63/24/267246324.db2.gz WYDSPQLGZYCDHO-OIISXLGYSA-N 0 3 286.444 3.511 20 30 CHEDHN C[C@]1(c2ccccc2)CC[C@H](NCC2(C#N)CCC2)C1 ZINC000418144731 267366059 /nfs/dbraw/zinc/36/60/59/267366059.db2.gz VBZKKDACLLCFLG-IRXDYDNUSA-N 0 3 268.404 3.780 20 30 CHEDHN CCSCC[C@H](C)N(C)Cc1ccc(C#N)cc1OC ZINC000121467589 267657901 /nfs/dbraw/zinc/65/79/01/267657901.db2.gz YMEBTAZZGIXUEP-ZDUSSCGKSA-N 0 3 292.448 3.530 20 30 CHEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1F ZINC000185869710 327848900 /nfs/dbraw/zinc/84/89/00/327848900.db2.gz UVRWYOKYAXENCF-GRYCIOLGSA-N 0 3 264.319 3.698 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000313501021 327923015 /nfs/dbraw/zinc/92/30/15/327923015.db2.gz QKGPKOJVPYSQNO-NSHDSACASA-N 0 3 255.308 3.905 20 30 CHEDHN CCN(CCNCc1cc(C#N)cs1)c1cccc(C)c1 ZINC000236869108 328003363 /nfs/dbraw/zinc/00/33/63/328003363.db2.gz IFRULXKWYKWUNR-UHFFFAOYSA-N 0 3 299.443 3.544 20 30 CHEDHN C[C@H](c1cccs1)N(C)CCOc1cccc(C#N)c1 ZINC000048334931 328053212 /nfs/dbraw/zinc/05/32/12/328053212.db2.gz HRNKLLGOKVJTCP-CYBMUJFWSA-N 0 3 286.400 3.692 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000571168889 328090277 /nfs/dbraw/zinc/09/02/77/328090277.db2.gz CBODWEAZHVHINS-ZDUSSCGKSA-N 0 3 273.355 3.628 20 30 CHEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1ccc(C#N)cc1 ZINC000571207964 328093010 /nfs/dbraw/zinc/09/30/10/328093010.db2.gz CLQDYOHMIQZEBH-LJQANCHMSA-N 0 3 289.382 3.865 20 30 CHEDHN C[C@H](CCc1ccccc1)CN(C)CC(C)(C)C#N ZINC000518805987 328170425 /nfs/dbraw/zinc/17/04/25/328170425.db2.gz HUHGOYJTWYDSGQ-OAHLLOKOSA-N 0 3 258.409 3.737 20 30 CHEDHN CN(C[C@@H]1OCCc2ccccc21)CC(C)(C)CCC#N ZINC000271149665 328195478 /nfs/dbraw/zinc/19/54/78/328195478.db2.gz SWWIXXBEPUYUBL-KRWDZBQOSA-N 0 3 286.419 3.562 20 30 CHEDHN CC(C)Oc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000274636403 328212235 /nfs/dbraw/zinc/21/22/35/328212235.db2.gz QAQZRPXAHYXLDW-OFQRWUPVSA-N 0 3 272.392 3.817 20 30 CHEDHN CSc1ccc([C@@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000282510793 328242543 /nfs/dbraw/zinc/24/25/43/328242543.db2.gz YXXKEUZQNACCPN-DYEKYZERSA-N 0 3 260.406 3.751 20 30 CHEDHN CC(F)(F)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000340426753 328276142 /nfs/dbraw/zinc/27/61/42/328276142.db2.gz NSGLNORQUNQELG-OCCSQVGLSA-N 0 3 264.319 3.580 20 30 CHEDHN CN(Cc1ccc(Cl)c(F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293927559 328278561 /nfs/dbraw/zinc/27/85/61/328278561.db2.gz YMNSJWDUOSVWPZ-ZYHUDNBSSA-N 0 3 266.747 3.603 20 30 CHEDHN CN(Cc1ccc(Cl)c(F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000293927551 328278564 /nfs/dbraw/zinc/27/85/64/328278564.db2.gz YMNSJWDUOSVWPZ-CMPLNLGQSA-N 0 3 266.747 3.603 20 30 CHEDHN COc1cccc(C=C2CCN([C@H](C)CCC#N)CC2)c1 ZINC000298631320 328297077 /nfs/dbraw/zinc/29/70/77/328297077.db2.gz OREHJNJAJDBMRT-OAHLLOKOSA-N 0 3 284.403 3.867 20 30 CHEDHN C=CC[C@@H](CC)NCc1nc(-c2ccccc2)c[nH]1 ZINC000341466150 328411525 /nfs/dbraw/zinc/41/15/25/328411525.db2.gz QCYDMKKYWSRLIG-CQSZACIVSA-N 0 3 255.365 3.521 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000119309655 330372594 /nfs/dbraw/zinc/37/25/94/330372594.db2.gz SHPLKLOSZRPFGQ-ZJUUUORDSA-N 0 3 284.197 3.683 20 30 CHEDHN Cc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000037770694 326861074 /nfs/dbraw/zinc/86/10/74/326861074.db2.gz CVRLYLKJQWPNIC-HNNXBMFYSA-N 0 3 280.371 3.748 20 30 CHEDHN N#Cc1csc(CN[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000530640591 326883713 /nfs/dbraw/zinc/88/37/13/326883713.db2.gz XFQYTIUOLCHMPO-HUUCEWRRSA-N 0 3 260.406 3.678 20 30 CHEDHN CCCCO[C@H]1C[C@H](NCc2cc(C#N)cs2)C1(C)C ZINC000530904079 326896107 /nfs/dbraw/zinc/89/61/07/326896107.db2.gz CSNDQZUYLCEKQV-GJZGRUSLSA-N 0 3 292.448 3.693 20 30 CHEDHN N#Cc1ccc(CNCc2coc3ccccc23)cc1 ZINC000083601935 326936915 /nfs/dbraw/zinc/93/69/15/326936915.db2.gz FPWYXLMYHXSKMX-UHFFFAOYSA-N 0 3 262.312 3.594 20 30 CHEDHN CC(C)O[C@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C ZINC000556606018 326953333 /nfs/dbraw/zinc/95/33/33/326953333.db2.gz PUXCMHXVCGFJAB-IRXDYDNUSA-N 0 3 298.430 3.729 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000584121003 327044242 /nfs/dbraw/zinc/04/42/42/327044242.db2.gz ZKRDNQLEOYEVGY-KSSFIOAISA-N 0 3 296.414 3.558 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000558108755 327074104 /nfs/dbraw/zinc/07/41/04/327074104.db2.gz GXBFWXOEMWHTGL-QGZVFWFLSA-N 0 3 274.383 3.729 20 30 CHEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)CCCSCC#N ZINC000074980892 327122411 /nfs/dbraw/zinc/12/24/11/327122411.db2.gz SNFPIDOAVJWLRV-NSHDSACASA-N 0 3 284.375 3.604 20 30 CHEDHN C=CCCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000558826900 327123084 /nfs/dbraw/zinc/12/30/84/327123084.db2.gz OEKRJVJYWHTIJQ-CQSZACIVSA-N 0 3 253.773 3.535 20 30 CHEDHN CCO[C@H]1C[C@H](NCc2ccccc2C#N)C12CCCCC2 ZINC000559326834 327160095 /nfs/dbraw/zinc/16/00/95/327160095.db2.gz CSDQAUFHALKNNI-ROUUACIJSA-N 0 3 298.430 3.776 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OC3CCCCC3)nc2)C1 ZINC000518473114 327166035 /nfs/dbraw/zinc/16/60/35/327166035.db2.gz NVWRYRORBLIYFD-GOEBONIOSA-N 0 3 299.418 3.575 20 30 CHEDHN COc1ccc(CN2CCC(CCC#N)CC2)cc1C ZINC000569576790 327200831 /nfs/dbraw/zinc/20/08/31/327200831.db2.gz GFOBTWLDPMYTRI-UHFFFAOYSA-N 0 3 272.392 3.519 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](CC3CC3)C2)c(Cl)c1 ZINC000559416692 327244087 /nfs/dbraw/zinc/24/40/87/327244087.db2.gz RZCBSJDMXIKBMN-AWEZNQCLSA-N 0 3 274.795 3.834 20 30 CHEDHN CC1(C)CN(Cc2ccc(F)cc2C#N)[C@@H]2CCC[C@H]21 ZINC000559426037 327244890 /nfs/dbraw/zinc/24/48/90/327244890.db2.gz YPRCDUFEFSEPKE-HZPDHXFCSA-N 0 3 272.367 3.708 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1N(C)C ZINC000564967176 327283849 /nfs/dbraw/zinc/28/38/49/327283849.db2.gz PKDZBMLKUQOBRW-OAHLLOKOSA-N 0 3 293.414 3.669 20 30 CHEDHN C=CCCCCCN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000560170529 327288400 /nfs/dbraw/zinc/28/84/00/327288400.db2.gz NZVVSZBDMROLBA-IBGZPJMESA-N 0 3 286.463 3.592 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000050225279 327313973 /nfs/dbraw/zinc/31/39/73/327313973.db2.gz UGGHXTAEDBFHTF-CYBMUJFWSA-N 0 3 286.400 3.810 20 30 CHEDHN C=CCC[C@@H](NCCN1CCC(C)CC1)c1ccco1 ZINC000560514297 327317190 /nfs/dbraw/zinc/31/71/90/327317190.db2.gz JTIRSAKAFQCLIH-MRXNPFEDSA-N 0 3 276.424 3.608 20 30 CHEDHN C=CCC[C@H](NCCN1CCC(C)CC1)c1ccco1 ZINC000560514295 327317267 /nfs/dbraw/zinc/31/72/67/327317267.db2.gz JTIRSAKAFQCLIH-INIZCTEOSA-N 0 3 276.424 3.608 20 30 CHEDHN N#Cc1csc(CN2CCC[C@@H](c3ccccc3)C2)c1 ZINC000560541813 327321883 /nfs/dbraw/zinc/32/18/83/327321883.db2.gz IKIMJMICXRBUPX-MRXNPFEDSA-N 0 3 282.412 3.999 20 30 CHEDHN N#CCCNC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000560830653 327346569 /nfs/dbraw/zinc/34/65/69/327346569.db2.gz DGRUAVFDDBIECB-WPUWVODUSA-N 0 3 288.394 3.787 20 30 CHEDHN C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1 ZINC000507246382 332800142 /nfs/dbraw/zinc/80/01/42/332800142.db2.gz IPTOMYUQVWTNQX-STQMWFEESA-N 0 3 290.370 3.846 20 30 CHEDHN C=CC(C)(C)CNCc1nc(C(C)C)n2ccccc12 ZINC000565084169 327458548 /nfs/dbraw/zinc/45/85/48/327458548.db2.gz RKBHDIOMLIIRIF-UHFFFAOYSA-N 0 3 271.408 3.760 20 30 CHEDHN Cc1ccc2c(c1)OCCC[C@H]2NCc1cccc(C#N)c1 ZINC000151374510 327549461 /nfs/dbraw/zinc/54/94/61/327549461.db2.gz GFCNSRDVZONYRM-GOSISDBHSA-N 0 3 292.382 3.870 20 30 CHEDHN CCO[C@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000193523943 329058523 /nfs/dbraw/zinc/05/85/23/329058523.db2.gz QHKIMZWOCALMFH-HNAYVOBHSA-N 0 3 294.398 3.987 20 30 CHEDHN C=CCCCN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000172174548 329081144 /nfs/dbraw/zinc/08/11/44/329081144.db2.gz LIHUMNGYSNUGCZ-UHFFFAOYSA-N 0 3 287.403 3.556 20 30 CHEDHN N#Cc1cccc(CN2CCC(OCC3CCCC3)CC2)c1 ZINC000177494742 329185071 /nfs/dbraw/zinc/18/50/71/329185071.db2.gz IAYXDMCEMZSCJQ-UHFFFAOYSA-N 0 3 298.430 3.729 20 30 CHEDHN CCN(Cc1cccnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464329 329208760 /nfs/dbraw/zinc/20/87/60/329208760.db2.gz FPRCTXDPELFHHU-HNNXBMFYSA-N 0 3 279.387 3.845 20 30 CHEDHN COc1cc(Cl)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185836151 329330280 /nfs/dbraw/zinc/33/02/80/329330280.db2.gz XJTQGLVCOJCCKR-FZMZJTMJSA-N 0 3 278.783 3.521 20 30 CHEDHN CC(C)(C#N)CCCN1Cc2ccccc2C2(CC2)C1 ZINC000186229374 329340199 /nfs/dbraw/zinc/34/01/99/329340199.db2.gz FOCAEEJRJKTTFY-UHFFFAOYSA-N 0 3 268.404 3.864 20 30 CHEDHN N#Cc1ccc(CNC2CC3(C2)CCCCC3)s1 ZINC000421351757 329815398 /nfs/dbraw/zinc/81/53/98/329815398.db2.gz OVSILQCHAWAYAZ-UHFFFAOYSA-N 0 3 260.406 3.822 20 30 CHEDHN COc1cc(CNCc2cccc(C3CC3)c2)ccc1C#N ZINC000421356594 329815729 /nfs/dbraw/zinc/81/57/29/329815729.db2.gz LMTBGJRMFBSESB-UHFFFAOYSA-N 0 3 292.382 3.734 20 30 CHEDHN CC(C)(NCc1ccc(C#N)s1)c1ccccc1 ZINC000267160738 330062506 /nfs/dbraw/zinc/06/25/06/330062506.db2.gz FSVOUBUOLAJSGQ-UHFFFAOYSA-N 0 3 256.374 3.645 20 30 CHEDHN C=CCCCCCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000572411885 330067076 /nfs/dbraw/zinc/06/70/76/330067076.db2.gz INLJOMQRBXPRAK-AWEZNQCLSA-N 0 3 267.804 3.530 20 30 CHEDHN C#CC[C@H](NCc1ccc(OCC)cc1)c1ccccc1 ZINC000270171317 330073659 /nfs/dbraw/zinc/07/36/59/330073659.db2.gz HQTBBXYPVOXFRS-IBGZPJMESA-N 0 3 279.383 3.940 20 30 CHEDHN C=C(C)CN(CC)Cc1c(C)nn(C(C)(C)C)c1C ZINC000270974895 330077478 /nfs/dbraw/zinc/07/74/78/330077478.db2.gz AJGHACHMPRVLKB-UHFFFAOYSA-N 0 3 263.429 3.653 20 30 CHEDHN C=CCN(Cc1ccc(SC(=O)N(C)C)cc1)C1CC1 ZINC000271392909 330078984 /nfs/dbraw/zinc/07/89/84/330078984.db2.gz KBEKRDPFFWJEDN-UHFFFAOYSA-N 0 3 290.432 3.611 20 30 CHEDHN C#CCCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000271614980 330081629 /nfs/dbraw/zinc/08/16/29/330081629.db2.gz AMGZDMLTMZSCSA-CYBMUJFWSA-N 0 3 273.273 3.822 20 30 CHEDHN C#CCCCN[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000273339670 330090326 /nfs/dbraw/zinc/09/03/26/330090326.db2.gz WHCXEZZDSLODSJ-VIFPVBQESA-N 0 3 276.327 3.616 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1cccc(OC)c1 ZINC000421871898 330100399 /nfs/dbraw/zinc/10/03/99/330100399.db2.gz GICMNLVVETYHAQ-MRXNPFEDSA-N 0 3 286.400 3.869 20 30 CHEDHN C=C(C)[C@@H](NCCCCCCO)c1ccc(F)c(F)c1 ZINC000274860159 330108107 /nfs/dbraw/zinc/10/81/07/330108107.db2.gz HVKSMCXAPYPLGU-MRXNPFEDSA-N 0 3 283.362 3.724 20 30 CHEDHN C=CCCN(C)Cc1cc(-c2ccncc2)ccc1OC ZINC000276112855 330112056 /nfs/dbraw/zinc/11/20/56/330112056.db2.gz IBOKVHMJKPZYAF-UHFFFAOYSA-N 0 3 282.387 3.765 20 30 CHEDHN C=CCC[C@H](NC1CCN(CC=C)CC1)c1ccco1 ZINC000276383769 330113070 /nfs/dbraw/zinc/11/30/70/330113070.db2.gz AAPZSHDEBIZDOG-INIZCTEOSA-N 0 3 274.408 3.527 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)c1ccsc1)c1ccco1 ZINC000276464096 330113284 /nfs/dbraw/zinc/11/32/84/330113284.db2.gz OLAPALKDRIBHMY-ZIAGYGMSSA-N 0 3 277.389 3.672 20 30 CHEDHN C=CCC[C@H](NCC(C)(C)C[C@@H](C)O)c1ccco1 ZINC000276443502 330113656 /nfs/dbraw/zinc/11/36/56/330113656.db2.gz KONAXIYZVDZNIO-KGLIPLIRSA-N 0 3 265.397 3.674 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000276842207 330114855 /nfs/dbraw/zinc/11/48/55/330114855.db2.gz CDUUNFKZPZSEBR-VOAKCMCISA-N 0 3 264.417 3.570 20 30 CHEDHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1Cl ZINC000399742112 330246331 /nfs/dbraw/zinc/24/63/31/330246331.db2.gz JHTAMDPOSGSWBH-SMDDNHRTSA-N 0 3 262.784 3.832 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527912552 330290814 /nfs/dbraw/zinc/29/08/14/330290814.db2.gz IQXMWKOSEWFSMG-CQSZACIVSA-N 0 3 280.774 3.996 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(Cl)oc2ccccc21 ZINC000424169822 330312122 /nfs/dbraw/zinc/31/21/22/330312122.db2.gz IFUPRYYQIMLCGF-FZMZJTMJSA-N 0 3 291.778 3.767 20 30 CHEDHN C=CCOc1ccc(CN[C@@H]2CC23CC3)cc1Cl ZINC000424185513 330320729 /nfs/dbraw/zinc/32/07/29/330320729.db2.gz PTARYQAAZGIINR-CQSZACIVSA-N 0 3 263.768 3.547 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000532979452 330323621 /nfs/dbraw/zinc/32/36/21/330323621.db2.gz JSOPMHPOACQRQJ-OAHLLOKOSA-N 0 3 274.408 3.528 20 30 CHEDHN COc1ccc2cc(CN[C@@H]3CC[C@H](C#N)C3)ccc2c1 ZINC000424194806 330324535 /nfs/dbraw/zinc/32/45/35/330324535.db2.gz MARVUQYWWDKTEH-SUMWQHHRSA-N 0 3 280.371 3.630 20 30 CHEDHN CC(C)COc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424195396 330324568 /nfs/dbraw/zinc/32/45/68/330324568.db2.gz CWJXNBWGKSNIJD-GOEBONIOSA-N 0 3 272.392 3.503 20 30 CHEDHN Cc1cc(Cl)cc(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424198364 330326126 /nfs/dbraw/zinc/32/61/26/330326126.db2.gz PBGZJJNXOHZOLD-GXTWGEPZSA-N 0 3 262.784 3.739 20 30 CHEDHN C=C(C)C(C)(C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000424217284 330329071 /nfs/dbraw/zinc/32/90/71/330329071.db2.gz KPYHWRLEBLWBCJ-UHFFFAOYSA-N 0 3 285.391 3.652 20 30 CHEDHN C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)c(F)c1 ZINC000424317346 330339596 /nfs/dbraw/zinc/33/95/96/330339596.db2.gz BYVAVZHLVPAZFA-JMPLFQLZSA-N 0 3 258.340 3.537 20 30 CHEDHN CCCc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424330004 330341990 /nfs/dbraw/zinc/34/19/90/330341990.db2.gz PYKFIFZJAMMVHB-JLJPHGGASA-N 0 3 256.393 3.982 20 30 CHEDHN CC1(C)Cc2occc2[C@@H](N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000424331694 330342580 /nfs/dbraw/zinc/34/25/80/330342580.db2.gz SFPWRMMKABBGRY-SCRDCRAPSA-N 0 3 258.365 3.575 20 30 CHEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCS2 ZINC000424337530 330343603 /nfs/dbraw/zinc/34/36/03/330343603.db2.gz ZJMMTRBBNJULSB-ZOWXZIJZSA-N 0 3 288.416 3.514 20 30 CHEDHN COc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCS2 ZINC000424337528 330343657 /nfs/dbraw/zinc/34/36/57/330343657.db2.gz ZJMMTRBBNJULSB-YWPYICTPSA-N 0 3 288.416 3.514 20 30 CHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000533289158 330356101 /nfs/dbraw/zinc/35/61/01/330356101.db2.gz WPHDZGVEGZFWFB-HNNXBMFYSA-N 0 3 274.408 3.692 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000119309771 330372576 /nfs/dbraw/zinc/37/25/76/330372576.db2.gz SHPLKLOSZRPFGQ-VHSXEESVSA-N 0 3 284.197 3.683 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000119317376 330372759 /nfs/dbraw/zinc/37/27/59/330372759.db2.gz LGRRFZFQVJXKOX-BDAKNGLRSA-N 0 3 272.161 3.813 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000119366878 330373637 /nfs/dbraw/zinc/37/36/37/330373637.db2.gz HSVHYGDPDIRDBG-VHSXEESVSA-N 0 3 259.271 3.810 20 30 CHEDHN C=C(C)CNCc1ccc(OCCCC)c(OC)c1 ZINC000119614251 330377461 /nfs/dbraw/zinc/37/74/61/330377461.db2.gz SVPIHDATCCEQAM-UHFFFAOYSA-N 0 3 263.381 3.540 20 30 CHEDHN N#CC1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000057907385 330381101 /nfs/dbraw/zinc/38/11/01/330381101.db2.gz DLVIMQGFYRGNEK-UHFFFAOYSA-N 0 3 274.367 3.992 20 30 CHEDHN C=CCCOCCNCc1ccc2cc(OC)ccc2c1 ZINC000120815852 330392364 /nfs/dbraw/zinc/39/23/64/330392364.db2.gz MNFLJANAPRSYHC-UHFFFAOYSA-N 0 3 285.387 3.531 20 30 CHEDHN C=CCCOCCN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000090883728 330396570 /nfs/dbraw/zinc/39/65/70/330396570.db2.gz ZWRGMRPFQDQKMC-OAHLLOKOSA-N 0 3 295.810 3.736 20 30 CHEDHN C=CC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000093359326 330419610 /nfs/dbraw/zinc/41/96/10/330419610.db2.gz YQGUOKGVHUXMKM-UHFFFAOYSA-N 0 3 262.422 3.809 20 30 CHEDHN C=CCOc1ccc(CNCc2cccc(OCC)c2)cc1 ZINC000061019037 330427625 /nfs/dbraw/zinc/42/76/25/330427625.db2.gz JJDGZTNMRNOBKS-UHFFFAOYSA-N 0 3 297.398 3.940 20 30 CHEDHN CCCC(O)(CCC)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000537404764 330434642 /nfs/dbraw/zinc/43/46/42/330434642.db2.gz HXSYZMGZOIVDLV-CYBMUJFWSA-N 0 3 292.398 3.679 20 30 CHEDHN C=C1CCN(C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000428214816 330516204 /nfs/dbraw/zinc/51/62/04/330516204.db2.gz GFKHENYWEKGRTB-KRWDZBQOSA-N 0 3 259.393 3.805 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)C1NCc1cccc(F)c1C#N ZINC000428291635 330519323 /nfs/dbraw/zinc/51/93/23/330519323.db2.gz BQKOOAGHAVJZNB-VXGBXAGGSA-N 0 3 260.356 3.612 20 30 CHEDHN N#CCCCCNCc1cc(Cl)ccc1OCC1CC1 ZINC000430025222 330557493 /nfs/dbraw/zinc/55/74/93/330557493.db2.gz IOZYDHAYHSCGHY-UHFFFAOYSA-N 0 3 292.810 3.912 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccccc1Cl ZINC000155647076 330692197 /nfs/dbraw/zinc/69/21/97/330692197.db2.gz TXHRAZNHLYLRCQ-GFCCVEGCSA-N 0 3 253.773 3.583 20 30 CHEDHN C[C@@H](Nc1cccc(F)c1C#N)[C@@H](c1ccccc1)N(C)C ZINC000439126443 330734265 /nfs/dbraw/zinc/73/42/65/330734265.db2.gz ATHVFMFRYNGISV-ACJLOTCBSA-N 0 3 297.377 3.801 20 30 CHEDHN CCCCOc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442713102 330780277 /nfs/dbraw/zinc/78/02/77/330780277.db2.gz HQXQXOZSSFAAPU-ZBFHGGJFSA-N 0 3 272.392 3.647 20 30 CHEDHN CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000442773041 330781940 /nfs/dbraw/zinc/78/19/40/330781940.db2.gz BUUVBCVGDILGJA-FFSVYQOJSA-N 0 3 278.346 3.944 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)NCC#Cc1ccc(F)cc1 ZINC000445902899 330841473 /nfs/dbraw/zinc/84/14/73/330841473.db2.gz HKEDRVUCHRWHHD-AWEZNQCLSA-N 0 3 287.300 3.744 20 30 CHEDHN CC[C@@H](NCc1ccccc1)c1ccc(C#N)cc1 ZINC000447515002 330867477 /nfs/dbraw/zinc/86/74/77/330867477.db2.gz IWNZSYFBTQGMHW-QGZVFWFLSA-N 0 3 250.345 3.799 20 30 CHEDHN C=CC[C@@H](C)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000447581232 330871163 /nfs/dbraw/zinc/87/11/63/330871163.db2.gz SLEQMSHLXFFRQX-DGCLKSJQSA-N 0 3 291.391 3.696 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000449072471 330897239 /nfs/dbraw/zinc/89/72/39/330897239.db2.gz KQIQAMSTJOSGIW-CABCVRRESA-N 0 3 290.455 3.790 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2nc3ccc(F)cc3s2)C1 ZINC000449446118 330926287 /nfs/dbraw/zinc/92/62/87/330926287.db2.gz OSMWIMQPMUMZFO-JQWIXIFHSA-N 0 3 289.379 3.607 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000449546468 330935229 /nfs/dbraw/zinc/93/52/29/330935229.db2.gz CEHPGXYWXVVVQH-KGLIPLIRSA-N 0 3 285.309 3.529 20 30 CHEDHN C=C(CC)CNCc1ccccc1OCc1cccnc1 ZINC000449730375 330946040 /nfs/dbraw/zinc/94/60/40/330946040.db2.gz DPYKKKNHUJUQJY-UHFFFAOYSA-N 0 3 282.387 3.716 20 30 CHEDHN N#Cc1ccc(CNCc2ccc3c(c2)CCCC3)cc1F ZINC000449735884 330947065 /nfs/dbraw/zinc/94/70/65/330947065.db2.gz KGCIYCRMCPRSLG-UHFFFAOYSA-N 0 3 294.373 3.866 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc(F)c(F)c1 ZINC000451154812 331017911 /nfs/dbraw/zinc/01/79/11/331017911.db2.gz MKCKGFYQSGBUHD-WVATUKLVSA-N 0 3 281.346 3.738 20 30 CHEDHN C=CCN[C@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000451690156 331039243 /nfs/dbraw/zinc/03/92/43/331039243.db2.gz LAYBQVTWEPTGCA-CYBMUJFWSA-N 0 3 273.298 3.559 20 30 CHEDHN C=CCCC[C@@H](C)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451882067 331046063 /nfs/dbraw/zinc/04/60/63/331046063.db2.gz QQKCDBRTSLIULL-UONOGXRCSA-N 0 3 292.389 3.547 20 30 CHEDHN CC(C(=O)Nc1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000452650346 331071101 /nfs/dbraw/zinc/07/11/01/331071101.db2.gz YNMKIMQJIOJRRA-SSDOTTSWSA-N 0 3 290.672 3.543 20 30 CHEDHN C=CCCCN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453215324 331102382 /nfs/dbraw/zinc/10/23/82/331102382.db2.gz KRDCWHBEIBRQGA-CQSZACIVSA-N 0 3 269.392 3.704 20 30 CHEDHN C=CCCCN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453215323 331102391 /nfs/dbraw/zinc/10/23/91/331102391.db2.gz KRDCWHBEIBRQGA-AWEZNQCLSA-N 0 3 269.392 3.704 20 30 CHEDHN CO[C@@](C)(CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000453313092 331115119 /nfs/dbraw/zinc/11/51/19/331115119.db2.gz DHGMPGBNACCSSJ-BEFAXECRSA-N 0 3 294.398 3.771 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(Cl)c1 ZINC000453343642 331119607 /nfs/dbraw/zinc/11/96/07/331119607.db2.gz JEDPCZFOSIUVOT-GLQYFDAESA-N 0 3 265.784 3.724 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000453373565 331124386 /nfs/dbraw/zinc/12/43/86/331124386.db2.gz SVEGSWVDAFJBGH-HNNXBMFYSA-N 0 3 299.418 3.616 20 30 CHEDHN C=CCC1(C(=O)Nc2ccc(CN(C)C)c(C)c2)CCC1 ZINC000458258363 331246476 /nfs/dbraw/zinc/24/64/76/331246476.db2.gz FHGUEZJZRUSKTC-UHFFFAOYSA-N 0 3 286.419 3.742 20 30 CHEDHN C=CCN1CCC(NCc2c(F)cc(C)cc2Cl)CC1 ZINC000459396000 331279787 /nfs/dbraw/zinc/27/97/87/331279787.db2.gz DKXNCXUNIMSZOH-UHFFFAOYSA-N 0 3 296.817 3.528 20 30 CHEDHN CC[C@H]1CCCC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459407418 331280194 /nfs/dbraw/zinc/28/01/94/331280194.db2.gz MBIBDSUTGDQBNG-WFASDCNBSA-N 0 3 287.363 3.525 20 30 CHEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 ZINC000471598826 331284085 /nfs/dbraw/zinc/28/40/85/331284085.db2.gz MEEMUUYYKZHAON-HPTBWKMGSA-N 0 3 272.367 3.731 20 30 CHEDHN CC(C)(CC#N)CNC/C=C/c1ccc(F)c(F)c1 ZINC000459683511 331292764 /nfs/dbraw/zinc/29/27/64/331292764.db2.gz BBFHVXGWVQMBHV-ONEGZZNKSA-N 0 3 264.319 3.507 20 30 CHEDHN CC(C)c1ccc(CNCC(C)(C)CC#N)cc1[N+](=O)[O-] ZINC000459704251 331295165 /nfs/dbraw/zinc/29/51/65/331295165.db2.gz XIQSQJPIPNXHHJ-UHFFFAOYSA-N 0 3 289.379 3.748 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000459729810 331296364 /nfs/dbraw/zinc/29/63/64/331296364.db2.gz KVJHSBBOCMYIOJ-UHFFFAOYSA-N 0 3 288.288 3.874 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000461877625 331315033 /nfs/dbraw/zinc/31/50/33/331315033.db2.gz NOAUULWNFXDWMM-LRDDRELGSA-N 0 3 298.773 3.705 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1c(Cl)cccc1C#N ZINC000462833824 331332022 /nfs/dbraw/zinc/33/20/22/331332022.db2.gz QFZOXUQBFXNHQA-CHWSQXEVSA-N 0 3 291.826 3.886 20 30 CHEDHN C=CC[C@@H](CC)NCc1coc(-c2ccccc2)n1 ZINC000466388484 331394443 /nfs/dbraw/zinc/39/44/43/331394443.db2.gz ZAFHFUWKIBHBFK-CQSZACIVSA-N 0 3 256.349 3.786 20 30 CHEDHN N#Cc1cccc(CCNCc2cccc(Cl)c2F)c1 ZINC000466422561 331396439 /nfs/dbraw/zinc/39/64/39/331396439.db2.gz MSXXELAIXCWLCN-UHFFFAOYSA-N 0 3 288.753 3.683 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000467995885 331426472 /nfs/dbraw/zinc/42/64/72/331426472.db2.gz VXDZTANSLJBTEQ-AWEZNQCLSA-N 0 3 274.408 3.597 20 30 CHEDHN Cc1ccc2ccccc2c1CN1CCC(F)(C#N)CC1 ZINC000510886305 332919748 /nfs/dbraw/zinc/91/97/48/332919748.db2.gz DNPUWRJPZWXGMJ-UHFFFAOYSA-N 0 3 282.362 3.976 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000475511324 331634764 /nfs/dbraw/zinc/63/47/64/331634764.db2.gz UISDPBRLRHYIIJ-XGWLTEMNSA-N 0 3 272.367 3.875 20 30 CHEDHN C=C(C)[C@H](NCCCOCC)c1ccc(F)c(F)c1 ZINC000481599059 331809861 /nfs/dbraw/zinc/80/98/61/331809861.db2.gz OLZTXBGKFPUHSX-HNNXBMFYSA-N 0 3 269.335 3.598 20 30 CHEDHN C(#Cc1ccccc1)CN1CCC2(CCCC2)CC1 ZINC000483970452 331890367 /nfs/dbraw/zinc/89/03/67/331890367.db2.gz BYJUHBQDSBTYDF-UHFFFAOYSA-N 0 3 253.389 3.694 20 30 CHEDHN C[C@H](c1ccccc1)[C@H](C)NCC#Cc1ccccc1 ZINC000484082264 331892310 /nfs/dbraw/zinc/89/23/10/331892310.db2.gz GHMBKTXNYOTWJE-IRXDYDNUSA-N 0 3 263.384 3.820 20 30 CHEDHN N#CC1(CN[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000484629255 331903433 /nfs/dbraw/zinc/90/34/33/331903433.db2.gz AEVFRFPPUNSDAF-JKSUJKDBSA-N 0 3 254.377 3.606 20 30 CHEDHN C=CC[C@H](C)NCc1cccc(Cl)c1OCC ZINC000487279825 331962815 /nfs/dbraw/zinc/96/28/15/331962815.db2.gz PDQPDCHKFZIAFN-NSHDSACASA-N 0 3 253.773 3.793 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2cccs2)ccc1C#N ZINC000488003326 331986942 /nfs/dbraw/zinc/98/69/42/331986942.db2.gz RLXQHQFUJSLWQR-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN C=CCn1cccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000488703588 332022098 /nfs/dbraw/zinc/02/20/98/332022098.db2.gz QHJXYUHANBSJGB-LBPRGKRZSA-N 0 3 299.399 3.744 20 30 CHEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CC1(C)C ZINC000489456884 332053941 /nfs/dbraw/zinc/05/39/41/332053941.db2.gz PCTKEXJRFCLKER-HNNXBMFYSA-N 0 3 256.393 3.718 20 30 CHEDHN C#C[C@H](NCc1cccc(OCCCC#N)c1)C(C)(C)C ZINC000491692665 332289207 /nfs/dbraw/zinc/28/92/07/332289207.db2.gz JBMBTKBKFZOHMA-KRWDZBQOSA-N 0 3 284.403 3.507 20 30 CHEDHN C#C[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1 ZINC000491734475 332315167 /nfs/dbraw/zinc/31/51/67/332315167.db2.gz BPVSBFYBGLHANQ-HZPDHXFCSA-N 0 3 289.806 3.706 20 30 CHEDHN CC#CCCNCc1ccc(-c2ccc(F)cc2C)o1 ZINC000499211782 332582450 /nfs/dbraw/zinc/58/24/50/332582450.db2.gz INHPRMVELZZSCJ-UHFFFAOYSA-N 0 3 271.335 3.897 20 30 CHEDHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000248708577 334314349 /nfs/dbraw/zinc/31/43/49/334314349.db2.gz AZTUWXRPDJUIJQ-GZBFAFLISA-N 0 3 287.363 3.636 20 30 CHEDHN N#Cc1ccc(CN[C@H]2Cc3ccc(Cl)cc3C2)s1 ZINC000500445946 332609549 /nfs/dbraw/zinc/60/95/49/332609549.db2.gz BFTWLHGWTXWXHK-ZDUSSCGKSA-N 0 3 288.803 3.530 20 30 CHEDHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1F ZINC000512282037 332961211 /nfs/dbraw/zinc/96/12/11/332961211.db2.gz SMFAHWRQYCHJIC-XHDPSFHLSA-N 0 3 290.382 3.694 20 30 CHEDHN COc1cccc(CCN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512661284 332978602 /nfs/dbraw/zinc/97/86/02/332978602.db2.gz QWAIPVRRDVVCLY-ZDUSSCGKSA-N 0 3 298.361 3.599 20 30 CHEDHN CC(C)CSCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512666233 332979091 /nfs/dbraw/zinc/97/90/91/332979091.db2.gz JKUVWDQIJLMGBP-LBPRGKRZSA-N 0 3 280.412 3.737 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccsc1 ZINC000404669241 333020806 /nfs/dbraw/zinc/02/08/06/333020806.db2.gz BSIGWTVWQZGULJ-OAHLLOKOSA-N 0 3 274.364 4.000 20 30 CHEDHN C=CCC[C@H](NCCOC1CCCC1)c1ccco1 ZINC000513654094 333029642 /nfs/dbraw/zinc/02/96/42/333029642.db2.gz HAMJTZDGOGWUQU-HNNXBMFYSA-N 0 3 263.381 3.836 20 30 CHEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000516774069 333082170 /nfs/dbraw/zinc/08/21/70/333082170.db2.gz FVWZCOVYVPNUOB-LBPRGKRZSA-N 0 3 287.363 3.525 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000516925645 333086506 /nfs/dbraw/zinc/08/65/06/333086506.db2.gz WFIBIXPMOGTGPO-CABCVRRESA-N 0 3 296.336 3.963 20 30 CHEDHN C[C@@H]1CCCC[C@H]1N(C)Cc1cccc(C#N)c1F ZINC000218075236 333126621 /nfs/dbraw/zinc/12/66/21/333126621.db2.gz IVWQHIDWNLIEND-IUODEOHRSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H](CC#N)N(C)CC1CCC(C(F)(F)F)CC1 ZINC000185509659 333142262 /nfs/dbraw/zinc/14/22/62/333142262.db2.gz GZHZZTWNCZNIEQ-VOMCLLRMSA-N 0 3 262.319 3.589 20 30 CHEDHN CC(C)COc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185793017 333149031 /nfs/dbraw/zinc/14/90/31/333149031.db2.gz NTOUECNWMJBEAJ-WBVHZDCISA-N 0 3 286.419 3.893 20 30 CHEDHN C=C(C)[C@@H](N[C@@H](C)C1CC1)c1ccc(F)c(F)c1 ZINC000186446534 333161210 /nfs/dbraw/zinc/16/12/10/333161210.db2.gz JOKXIZZNWCODNY-ZUZCIYMTSA-N 0 3 251.320 3.970 20 30 CHEDHN C=C(C)[C@@H](N[C@H](C)COCC)c1ccc(F)c(F)c1 ZINC000186454129 333161334 /nfs/dbraw/zinc/16/13/34/333161334.db2.gz DGSLNGIZXRBFGA-IAQYHMDHSA-N 0 3 269.335 3.597 20 30 CHEDHN C=C(C)[C@H](N[C@H](C)COCC)c1ccc(F)c(F)c1 ZINC000186454167 333161400 /nfs/dbraw/zinc/16/14/00/333161400.db2.gz DGSLNGIZXRBFGA-ABAIWWIYSA-N 0 3 269.335 3.597 20 30 CHEDHN CCN(Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000223521532 333208781 /nfs/dbraw/zinc/20/87/81/333208781.db2.gz MGIZQCFDWZZASU-UHFFFAOYSA-N 0 3 260.356 3.852 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000227271877 333279100 /nfs/dbraw/zinc/27/91/00/333279100.db2.gz MICPTKZYORXJAC-DOTOQJQBSA-N 0 3 284.403 3.721 20 30 CHEDHN CC(C)(C)[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000230142233 333314780 /nfs/dbraw/zinc/31/47/80/333314780.db2.gz HDLQDJPQPQUTOR-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN CC(C)(C)[C@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC000230142225 333314830 /nfs/dbraw/zinc/31/48/30/333314830.db2.gz DFNWSJSMDCCUSU-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN C=C(C)CN1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000302756997 333335050 /nfs/dbraw/zinc/33/50/50/333335050.db2.gz QVOLFMLAOFSTOJ-UHFFFAOYSA-N 0 3 272.436 3.504 20 30 CHEDHN C=C(C)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000302755013 333335200 /nfs/dbraw/zinc/33/52/00/333335200.db2.gz KKWRNFLBFGZSQR-UHFFFAOYSA-N 0 3 280.415 3.534 20 30 CHEDHN C=C[C@H](C)NCc1ccc(Br)c(Cl)c1 ZINC000235509698 333370287 /nfs/dbraw/zinc/37/02/87/333370287.db2.gz SRHPLAJGWWOTRA-QMMMGPOBSA-N 0 3 274.589 3.767 20 30 CHEDHN CC(C)c1ccc(OCCNCc2cccc(C#N)c2)cc1 ZINC000236682046 333374715 /nfs/dbraw/zinc/37/47/15/333374715.db2.gz VSFSVEGIHNEYMO-UHFFFAOYSA-N 0 3 294.398 3.850 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(C#N)cc1F ZINC000524757171 333387163 /nfs/dbraw/zinc/38/71/63/333387163.db2.gz JSZJAAJQMZHZIO-HACGYAERSA-N 0 3 272.367 3.850 20 30 CHEDHN C=CC[C@@H](CC)NCc1cc(OC)ccc1Br ZINC000393801790 333388316 /nfs/dbraw/zinc/38/83/16/333388316.db2.gz MIEPOUKIFPUVKO-GFCCVEGCSA-N 0 3 298.224 3.902 20 30 CHEDHN CC#CCN1CCC(c2c[nH]c3c2cccc3CC)CC1 ZINC000525120131 333399277 /nfs/dbraw/zinc/39/92/77/333399277.db2.gz WKYSBXIEKGSFSV-UHFFFAOYSA-N 0 3 280.415 3.933 20 30 CHEDHN Cc1ccccc1OCCN[C@H](C)c1ccc(C#N)cc1 ZINC000173981442 335145292 /nfs/dbraw/zinc/14/52/92/335145292.db2.gz YKRFIOKXDYEXFA-OAHLLOKOSA-N 0 3 280.371 3.596 20 30 CHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000174264615 335151649 /nfs/dbraw/zinc/15/16/49/335151649.db2.gz SRPZUDPBDGMTBT-KBPBESRZSA-N 0 3 298.361 3.815 20 30 CHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1ccccc1F ZINC000174263369 335151679 /nfs/dbraw/zinc/15/16/79/335151679.db2.gz UPLKTYSPDWNOTA-KBPBESRZSA-N 0 3 298.361 3.815 20 30 CHEDHN COc1ccc(CN(C)Cc2sccc2C)cc1C#N ZINC000340127935 335151988 /nfs/dbraw/zinc/15/19/88/335151988.db2.gz OQIHSRIVPPZFTQ-UHFFFAOYSA-N 0 3 286.400 3.569 20 30 CHEDHN CC(C)(CNCc1ccc(C#N)o1)c1ccccc1Cl ZINC000174344495 335153079 /nfs/dbraw/zinc/15/30/79/335153079.db2.gz DPQIPBDZGOFCHZ-UHFFFAOYSA-N 0 3 288.778 3.872 20 30 CHEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(Cl)ccc1OCC ZINC000539296473 333664526 /nfs/dbraw/zinc/66/45/26/333664526.db2.gz BCUNBFIAIJBZGE-CHWSQXEVSA-N 0 3 297.826 3.574 20 30 CHEDHN C=CCCC[C@@H](C)N[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000539510247 333675435 /nfs/dbraw/zinc/67/54/35/333675435.db2.gz SIHNJWSNJUHKNT-HUUCEWRRSA-N 0 3 298.434 3.971 20 30 CHEDHN C=CCSCCN[C@H](C)c1cccc(Cl)c1 ZINC000129358514 333756787 /nfs/dbraw/zinc/75/67/87/333756787.db2.gz GUQXSLVVHZHIEF-LLVKDONJSA-N 0 3 255.814 3.910 20 30 CHEDHN C[C@H]1C[C@@H]1c1ccc(CN2CCC(CC#N)CC2)o1 ZINC000542851739 333845286 /nfs/dbraw/zinc/84/52/86/333845286.db2.gz ZCZJRHVPCTVBJR-WFASDCNBSA-N 0 3 258.365 3.529 20 30 CHEDHN CC#CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542947215 333850586 /nfs/dbraw/zinc/85/05/86/333850586.db2.gz VXAXYZFNIUUASR-HNNXBMFYSA-N 0 3 274.367 3.899 20 30 CHEDHN C=CC[C@H](CO)CN[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000543777983 333898230 /nfs/dbraw/zinc/89/82/30/333898230.db2.gz ZDGJKXYPBNTTSK-LRDDRELGSA-N 0 3 299.817 3.950 20 30 CHEDHN C=CCOc1ccc(CN[C@]2(C)CCO[C@@H]2C)cc1Cl ZINC000544368191 333927240 /nfs/dbraw/zinc/92/72/40/333927240.db2.gz IOWQHAMPCKMTTC-MLGOLLRUSA-N 0 3 295.810 3.562 20 30 CHEDHN C=CCN(CCc1scnc1C)Cc1ccccc1 ZINC000074348888 334004429 /nfs/dbraw/zinc/00/44/29/334004429.db2.gz FWLPGDJMDZDWJI-UHFFFAOYSA-N 0 3 272.417 3.682 20 30 CHEDHN N#CCC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000545894144 334004715 /nfs/dbraw/zinc/00/47/15/334004715.db2.gz DKWAYUZGQSICOB-UHFFFAOYSA-N 0 3 264.319 3.750 20 30 CHEDHN C=CCC[C@H]([NH2+]Cc1ncccc1[O-])c1ccccc1 ZINC000564301207 334021998 /nfs/dbraw/zinc/02/19/98/334021998.db2.gz IPKRASWEZXTUMQ-HNNXBMFYSA-N 0 3 268.360 3.584 20 30 CHEDHN C=CCCN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133754835 334053597 /nfs/dbraw/zinc/05/35/97/334053597.db2.gz LFEFBMYFEIIYDS-MRXNPFEDSA-N 0 3 272.779 3.990 20 30 CHEDHN COc1ccc([C@H](CCC#N)NCCc2ccc(C)o2)cc1 ZINC000564317495 334080473 /nfs/dbraw/zinc/08/04/73/334080473.db2.gz MPQFEHAMCCBOAZ-SFHVURJKSA-N 0 3 298.386 3.774 20 30 CHEDHN CC[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000135263054 334122409 /nfs/dbraw/zinc/12/24/09/334122409.db2.gz ADQDHUDPNDGIPD-OAHLLOKOSA-N 0 3 288.460 3.815 20 30 CHEDHN CC[C@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000079054629 334146830 /nfs/dbraw/zinc/14/68/30/334146830.db2.gz AUOUTHGTZCQPCL-ZDUSSCGKSA-N 0 3 260.356 3.709 20 30 CHEDHN C[C@H](c1cccc(F)c1)N(C)Cc1cccc(C#N)c1 ZINC000079389834 334153328 /nfs/dbraw/zinc/15/33/28/334153328.db2.gz BIZTXDIVXLAPRI-CYBMUJFWSA-N 0 3 268.335 3.890 20 30 CHEDHN C=CCOCCCN[C@H](C)c1ccccc1OC(C)C ZINC000548751886 334169542 /nfs/dbraw/zinc/16/95/42/334169542.db2.gz RDNDKRZDSKNFRA-OAHLLOKOSA-N 0 3 277.408 3.717 20 30 CHEDHN C=C1CCN(C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000549137037 334186035 /nfs/dbraw/zinc/18/60/35/334186035.db2.gz HDJXGVDWIAIRBO-HNNXBMFYSA-N 0 3 265.784 3.680 20 30 CHEDHN CC(F)(F)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000549833682 334206243 /nfs/dbraw/zinc/20/62/43/334206243.db2.gz XJUJSORGKFRUAZ-UHFFFAOYSA-N 0 3 286.325 3.960 20 30 CHEDHN CC1(C)CC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000551787627 334261131 /nfs/dbraw/zinc/26/11/31/334261131.db2.gz JQCGPUUVVCEYPI-CQSZACIVSA-N 0 3 281.321 3.835 20 30 CHEDHN CC1(C)CN(Cc2ccc(C#N)s2)[C@@H]2CCC[C@H]21 ZINC000552139689 334294382 /nfs/dbraw/zinc/29/43/82/334294382.db2.gz RVXHQUJQCCDFNG-ZIAGYGMSSA-N 0 3 260.406 3.630 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000248692752 334313661 /nfs/dbraw/zinc/31/36/61/334313661.db2.gz BNCHJAROONREOX-BBWFWOEESA-N 0 3 256.393 3.680 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3c2cccc3Cl)C1 ZINC000248998801 334324368 /nfs/dbraw/zinc/32/43/68/334324368.db2.gz PWJSQSYDRLSJRB-BFQNTYOBSA-N 0 3 274.795 3.999 20 30 CHEDHN C[C@H]1CCN(CC#Cc2ccc(F)cc2)CC12CCC2 ZINC000552437515 334327577 /nfs/dbraw/zinc/32/75/77/334327577.db2.gz HXYRZJRFUBKKGD-HNNXBMFYSA-N 0 3 271.379 3.689 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000552923028 334350879 /nfs/dbraw/zinc/35/08/79/334350879.db2.gz FAXZDNNINGADAJ-MRXNPFEDSA-N 0 3 296.414 3.992 20 30 CHEDHN CSc1cc(C)ccc1CNCc1ccc(C#N)cc1 ZINC000153525365 334613299 /nfs/dbraw/zinc/61/32/99/334613299.db2.gz NPPMSBPXIFPSQS-UHFFFAOYSA-N 0 3 282.412 3.878 20 30 CHEDHN CCC[C@H](NC[C@H](C#N)CCC#N)C1CCCCC1 ZINC000567679295 334751539 /nfs/dbraw/zinc/75/15/39/334751539.db2.gz RNSMDSUJWLGYPO-HOCLYGCPSA-N 0 3 261.413 3.769 20 30 CHEDHN Cc1c(Br)cccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000568239588 334807459 /nfs/dbraw/zinc/80/74/59/334807459.db2.gz PJVLWIXKNCHZHN-DGCLKSJQSA-N 0 3 293.208 3.539 20 30 CHEDHN C=CCCCCNC(C)(C)c1nc2ccccc2n1C ZINC000568356138 334819052 /nfs/dbraw/zinc/81/90/52/334819052.db2.gz GZEDLEYWCYBGCC-UHFFFAOYSA-N 0 3 271.408 3.754 20 30 CHEDHN N#CC1(CNCC2CCC(c3ccccc3)CC2)CC1 ZINC000576314479 335188483 /nfs/dbraw/zinc/18/84/83/335188483.db2.gz VCLNMSITMNATPV-UHFFFAOYSA-N 0 3 268.404 3.854 20 30 CHEDHN C=CCCN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC000576601095 335225239 /nfs/dbraw/zinc/22/52/39/335225239.db2.gz WVRRAKRVZSVCRZ-UHFFFAOYSA-N 0 3 293.382 3.541 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 ZINC000576885494 335260494 /nfs/dbraw/zinc/26/04/94/335260494.db2.gz QDASSHASIUVJTG-KDOFPFPSSA-N 0 3 277.371 3.536 20 30 CHEDHN Cc1ccc2nc([C@@H]3CCCN3CCCCC#N)[nH]c2c1 ZINC000576983007 335273290 /nfs/dbraw/zinc/27/32/90/335273290.db2.gz GECYLGDZUSAMIV-INIZCTEOSA-N 0 3 282.391 3.702 20 30 CHEDHN COc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(C)c1 ZINC000577169142 335313678 /nfs/dbraw/zinc/31/36/78/335313678.db2.gz OXZOKUJHLUVDSW-IBGZPJMESA-N 0 3 292.382 3.652 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000578193259 335551796 /nfs/dbraw/zinc/55/17/96/335551796.db2.gz WAAXPJGPJPJKHM-KBAYOESNSA-N 0 3 281.403 3.746 20 30 CHEDHN C=CCC[C@@H](C)N[C@@H](COCC(C)C)c1ccco1 ZINC000184199529 335920492 /nfs/dbraw/zinc/92/04/92/335920492.db2.gz JLFYLUNAJMTOOA-CABCVRRESA-N 0 3 265.397 3.938 20 30 CHEDHN C=CCCC[C@H](C)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194410201 336020163 /nfs/dbraw/zinc/02/01/63/336020163.db2.gz YLLOBIBEPHIJQE-AWEZNQCLSA-N 0 3 269.392 3.911 20 30 CHEDHN C=C(C)CNC1(c2ccc(Br)cc2)CCC1 ZINC000381254694 336056688 /nfs/dbraw/zinc/05/66/88/336056688.db2.gz QLCVNBLGMVOVAC-UHFFFAOYSA-N 0 3 280.209 3.994 20 30 CHEDHN C=CCCCCN[C@H](C)c1ccc(Br)cn1 ZINC000381300970 336058629 /nfs/dbraw/zinc/05/86/29/336058629.db2.gz IFZSCNJDTWMOJF-LLVKDONJSA-N 0 3 283.213 3.851 20 30 CHEDHN CCCN(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000384401190 336124360 /nfs/dbraw/zinc/12/43/60/336124360.db2.gz MAPOFHYVBURJJL-UHFFFAOYSA-N 0 3 294.398 3.979 20 30 CHEDHN C=CC(C)(C)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000384855755 336133107 /nfs/dbraw/zinc/13/31/07/336133107.db2.gz MUKGGWBQUORTIE-KRWDZBQOSA-N 0 3 266.388 3.973 20 30 CHEDHN CC(C)(CNCc1ccc(C#N)cc1F)C1CCC1 ZINC000385192012 336141604 /nfs/dbraw/zinc/14/16/04/336141604.db2.gz OPOWSTBKISBABY-UHFFFAOYSA-N 0 3 260.356 3.613 20 30 CHEDHN C=C(C)CCNCc1cc(Br)ccc1OC ZINC000386841956 336180625 /nfs/dbraw/zinc/18/06/25/336180625.db2.gz XVHVNPCCZGQRGV-UHFFFAOYSA-N 0 3 284.197 3.514 20 30 CHEDHN COc1cc(CN[C@H]2CCc3c2cccc3C)ccc1C#N ZINC000353639701 533909596 /nfs/dbraw/zinc/90/95/96/533909596.db2.gz DRVBNDWDANJXGD-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN Cc1ccsc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000336579545 534476205 /nfs/dbraw/zinc/47/62/05/534476205.db2.gz CHKBEPAPRYFPBC-HNNXBMFYSA-N 0 3 268.385 3.705 20 30 CHEDHN CCN(Cc1ccncc1)[C@H](C)c1cccc(C#N)c1 ZINC000276056985 521424871 /nfs/dbraw/zinc/42/48/71/521424871.db2.gz PNRFPUBHSSYKNG-CQSZACIVSA-N 0 3 265.360 3.536 20 30 CHEDHN CCN(Cc1ccncc1)[C@H](C)c1ccc(C#N)cc1 ZINC000130285056 521425584 /nfs/dbraw/zinc/42/55/84/521425584.db2.gz BJDBJGUQXZEKBW-CQSZACIVSA-N 0 3 265.360 3.536 20 30 CHEDHN CCCN(CCc1ccccn1)Cc1ccc(C#N)cc1F ZINC000289793541 521672955 /nfs/dbraw/zinc/67/29/55/521672955.db2.gz MDZNQCUCDGOWSG-UHFFFAOYSA-N 0 3 297.377 3.547 20 30 CHEDHN N#Cc1csc(CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC000353635289 534830207 /nfs/dbraw/zinc/83/02/07/534830207.db2.gz ZKAVWAPUBKUCTQ-CYBMUJFWSA-N 0 3 286.375 3.748 20 30 CHEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C#N)c1 ZINC000193871623 525518174 /nfs/dbraw/zinc/51/81/74/525518174.db2.gz ANWZYJOJOGNPGL-IBGZPJMESA-N 0 3 292.382 3.734 20 30 CHEDHN C[C@H](N[C@H]1CCc2ccccc21)c1cccc(C#N)c1 ZINC000037230001 525632914 /nfs/dbraw/zinc/63/29/14/525632914.db2.gz UMFLNPBJRSVWOP-UGSOOPFHSA-N 0 3 262.356 3.896 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289690437 526042442 /nfs/dbraw/zinc/04/24/42/526042442.db2.gz VTVURTGQGPXIDK-OLMNPRSZSA-N 0 3 296.414 3.653 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC=C(c2cccnc2)C1 ZINC000289408638 526074432 /nfs/dbraw/zinc/07/44/32/526074432.db2.gz SUASEQNPVKQOKN-OAHLLOKOSA-N 0 3 289.382 3.804 20 30 CHEDHN Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(C#N)c1 ZINC000299306794 526155836 /nfs/dbraw/zinc/15/58/36/526155836.db2.gz CQILHKFCRKGXQP-SFHVURJKSA-N 0 3 262.356 3.644 20 30 CHEDHN C=CCN(CCCc1ccncc1)Cc1cccc(C#N)c1 ZINC000347305302 526275374 /nfs/dbraw/zinc/27/53/74/526275374.db2.gz STWGMRXRJQHIPD-UHFFFAOYSA-N 0 3 291.398 3.574 20 30 CHEDHN C=C(C)CCN(C)[C@@H](C)c1sc(CC)nc1C ZINC000352016821 526439316 /nfs/dbraw/zinc/43/93/16/526439316.db2.gz ZYQMYJROSUKMCC-LBPRGKRZSA-N 0 3 252.427 3.973 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000279760526 526626276 /nfs/dbraw/zinc/62/62/76/526626276.db2.gz ZSBDQOZTHXBXFJ-ZFWWWQNUSA-N 0 3 284.334 3.716 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)s1 ZINC000280697827 526626949 /nfs/dbraw/zinc/62/69/49/526626949.db2.gz SBYMPZLFHOVJGQ-HDJSIYSDSA-N 0 3 268.385 3.656 20 30 CHEDHN N#Cc1cccc(CN(Cc2ccc(O)cc2)CC2CC2)c1 ZINC000265459120 526702582 /nfs/dbraw/zinc/70/25/82/526702582.db2.gz WQWSRFWSXDDOGI-UHFFFAOYSA-N 0 3 292.382 3.676 20 30 CHEDHN N#Cc1cccc(CN[C@H](c2ccc(F)cc2)C2CC2)c1 ZINC000037748949 526709099 /nfs/dbraw/zinc/70/90/99/526709099.db2.gz JVDRBZIXBRFSHZ-SFHVURJKSA-N 0 3 280.346 3.938 20 30 CHEDHN C=CCOCCCN(Cc1ccccc1F)C(C)C ZINC000347975919 526749019 /nfs/dbraw/zinc/74/90/19/526749019.db2.gz XCTUCQJLYILXOT-UHFFFAOYSA-N 0 3 265.372 3.629 20 30 CHEDHN C=CCCOCCNCc1ccc(C(F)(F)F)cc1C ZINC000191056790 527366702 /nfs/dbraw/zinc/36/67/02/527366702.db2.gz INCQNUOIFYRLEK-UHFFFAOYSA-N 0 3 287.325 3.696 20 30 CHEDHN C=CCC[C@@H](NCc1c(C)cnn1C)c1ccccc1 ZINC000352756720 527448619 /nfs/dbraw/zinc/44/86/19/527448619.db2.gz CQALQXWLJZDFLN-MRXNPFEDSA-N 0 3 269.392 3.526 20 30 CHEDHN CCC(CC)CN(CCC#N)CCCc1cnccc1C ZINC000347791360 528749859 /nfs/dbraw/zinc/74/98/59/528749859.db2.gz VPWCKHFVMHDMHV-UHFFFAOYSA-N 0 3 287.451 3.975 20 30 CHEDHN CCC1(C)CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000347267657 529022555 /nfs/dbraw/zinc/02/25/55/529022555.db2.gz SZKHEJLTTSMLAW-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN CCc1cccc(Cl)c1CNCCCCC#N ZINC000353767288 529171152 /nfs/dbraw/zinc/17/11/52/529171152.db2.gz LVBRTBBMBJDJOQ-UHFFFAOYSA-N 0 3 250.773 3.686 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819735021 607088639 /nfs/dbraw/zinc/08/86/39/607088639.db2.gz YQXGRVMDDHGDKB-XJKSGUPXSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819735021 607088641 /nfs/dbraw/zinc/08/86/41/607088641.db2.gz YQXGRVMDDHGDKB-XJKSGUPXSA-N 0 3 299.422 3.652 20 30 CHEDHN CC[C@@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000921620160 1118225532 /nfs/dbraw/zinc/22/55/32/1118225532.db2.gz IAMJPELGMXPESG-OAHLLOKOSA-N 0 3 256.374 3.861 20 30 CHEDHN C[C@]1(C(F)(F)F)CCN(Cc2ccc(CC#N)cc2)C1 ZINC000708720353 1121466013 /nfs/dbraw/zinc/46/60/13/1121466013.db2.gz FVZFKJFVHVSYQN-AWEZNQCLSA-N 0 3 282.309 3.527 20 30 CHEDHN CC(C)C[C@@H](Cc1cccc(Cl)c1)NCCC#N ZINC000426005945 1121535555 /nfs/dbraw/zinc/53/55/55/1121535555.db2.gz UZALVOKMWOUPBQ-HNNXBMFYSA-N 0 3 264.800 3.800 20 30 CHEDHN CC(C)c1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000397741805 1121695053 /nfs/dbraw/zinc/69/50/53/1121695053.db2.gz NDXOOHVRZDVLBK-OAHLLOKOSA-N 0 3 256.393 3.936 20 30 CHEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(C#N)c1 ZINC001196264517 1122914426 /nfs/dbraw/zinc/91/44/26/1122914426.db2.gz XAMAASPLVHMRCK-POYXUOKUSA-N 0 3 274.795 3.975 20 30 CHEDHN C=CCN(Cc1cnc(Cl)c(F)c1)C(C)(C)C ZINC000852554172 1123408705 /nfs/dbraw/zinc/40/87/05/1123408705.db2.gz FIHJTAGXZRHIHK-UHFFFAOYSA-N 0 3 256.752 3.661 20 30 CHEDHN C=C(Cl)CN[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852727978 1123414096 /nfs/dbraw/zinc/41/40/96/1123414096.db2.gz VYCFXRSYKTXVSI-KBPBESRZSA-N 0 3 288.218 3.740 20 30 CHEDHN CCCCCCCCCC[C@H](O)CN1CC[C@]12CCOC2 ZINC001252983205 1124929949 /nfs/dbraw/zinc/92/99/49/1124929949.db2.gz SOIOGIWMWVKDDB-ZWKOTPCHSA-N 0 3 297.483 3.743 20 30 CHEDHN C=CCN(Cc1cnccc1C(F)(F)F)C(C)(C)C ZINC001140922835 1131965568 /nfs/dbraw/zinc/96/55/68/1131965568.db2.gz GFXUNSSHTPVRAH-UHFFFAOYSA-N 0 3 272.314 3.887 20 30 CHEDHN C[C@@H](Cc1ccccc1Cl)NCc1ccc(C#N)o1 ZINC000135149267 1125579858 /nfs/dbraw/zinc/57/98/58/1125579858.db2.gz MJRHYBWEXQWPAM-NSHDSACASA-N 0 3 274.751 3.525 20 30 CHEDHN N#CC(C(=O)C1CCC(C(F)(F)F)CC1)c1ccccn1 ZINC000216365740 1125592855 /nfs/dbraw/zinc/59/28/55/1125592855.db2.gz UKFVUPHLOSMIDI-MCIGGMRASA-N 0 3 296.292 3.627 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000533445659 1125608528 /nfs/dbraw/zinc/60/85/28/1125608528.db2.gz AQDAADDKNHZZNW-WBVHZDCISA-N 0 3 272.367 3.756 20 30 CHEDHN C=CCC[C@H](NCc1[nH]nc(C)c1C)c1ccccc1 ZINC000886038986 1125639087 /nfs/dbraw/zinc/63/90/87/1125639087.db2.gz GIEVLCBWMJOOPT-INIZCTEOSA-N 0 3 269.392 3.824 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000886541304 1125686761 /nfs/dbraw/zinc/68/67/61/1125686761.db2.gz TYKSRQJNUBRKQQ-GUYCJALGSA-N 0 3 266.344 3.734 20 30 CHEDHN C=CCC1(O)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000886757753 1125714267 /nfs/dbraw/zinc/71/42/67/1125714267.db2.gz QJKYTBWLOWCLNH-UHFFFAOYSA-N 0 3 299.336 3.608 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccs1 ZINC000192179904 1125759361 /nfs/dbraw/zinc/75/93/61/1125759361.db2.gz GIQKMVFVXVCLSQ-SNVBAGLBSA-N 0 3 260.337 3.610 20 30 CHEDHN C#C[C@@](C)(CC)Nc1nc2cccc(Br)c2[nH]1 ZINC001169701788 1129749475 /nfs/dbraw/zinc/74/94/75/1129749475.db2.gz UCJFZMQYFZOHBQ-ZDUSSCGKSA-N 0 3 292.180 3.539 20 30 CHEDHN C[C@H](CC#N)NCC/C=C/c1ccc(Br)cc1 ZINC000600603630 1126722233 /nfs/dbraw/zinc/72/22/33/1126722233.db2.gz NUSPVKPKVWHHQU-FXMSTWTQSA-N 0 3 293.208 3.744 20 30 CHEDHN CC#CCCNCc1cc(Cl)cc(Cl)c1OC ZINC000482168283 1126744229 /nfs/dbraw/zinc/74/42/29/1126744229.db2.gz YCWLDSWQDOLYPC-UHFFFAOYSA-N 0 3 272.175 3.505 20 30 CHEDHN C[C@@H](C1CC1)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000159675851 1126750387 /nfs/dbraw/zinc/75/03/87/1126750387.db2.gz OWCJIBTUGWKIFM-AWEZNQCLSA-N 0 3 280.371 3.952 20 30 CHEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1C ZINC000173988731 1126765225 /nfs/dbraw/zinc/76/52/25/1126765225.db2.gz MYUBEQSIVIWLGB-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccco1 ZINC000177822474 1126805914 /nfs/dbraw/zinc/80/59/14/1126805914.db2.gz RTVIERVBLLYRFT-CYBMUJFWSA-N 0 3 286.400 3.735 20 30 CHEDHN CN(C)Cc1ccc(-c2ccc(CC#N)s2)s1 ZINC000904864174 1126880196 /nfs/dbraw/zinc/88/01/96/1126880196.db2.gz BLOYXJHUVKGPRV-UHFFFAOYSA-N 0 3 262.403 3.604 20 30 CHEDHN CC1/C(=C/c2cccc(C3CCCC3)c2)C(=O)c2ncnn21 ZINC000905085061 1126889030 /nfs/dbraw/zinc/88/90/30/1126889030.db2.gz LUAZWEVTOZYFDC-KPENOIPVSA-N 0 3 293.370 3.777 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000185777970 1126902814 /nfs/dbraw/zinc/90/28/14/1126902814.db2.gz VAFLIQBGTZRVKZ-CQSZACIVSA-N 0 3 274.408 3.597 20 30 CHEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(F)c1F ZINC000185869746 1126904147 /nfs/dbraw/zinc/90/41/47/1126904147.db2.gz UVRWYOKYAXENCF-WOPDTQHZSA-N 0 3 264.319 3.698 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000668493999 1126917944 /nfs/dbraw/zinc/91/79/44/1126917944.db2.gz TXXPYBXYNYHYHY-UKRRQHHQSA-N 0 3 292.448 3.783 20 30 CHEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000266860654 1126988897 /nfs/dbraw/zinc/98/88/97/1126988897.db2.gz JOAFBUBAYNGTIA-HNAYVOBHSA-N 0 3 292.382 3.782 20 30 CHEDHN Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)s1 ZINC000269586782 1127042455 /nfs/dbraw/zinc/04/24/55/1127042455.db2.gz BSXNKVTUVNEITB-UHFFFAOYSA-N 0 3 268.385 3.707 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000924844854 1127095884 /nfs/dbraw/zinc/09/58/84/1127095884.db2.gz CAHVCQXXAGHBGR-HYVNUMGLSA-N 0 3 286.419 3.825 20 30 CHEDHN C=CCOc1cccc(CN2CCC[C@H]2c2ccncc2)c1 ZINC000348933128 1127135830 /nfs/dbraw/zinc/13/58/30/1127135830.db2.gz HTYFGPIGIIWUQF-IBGZPJMESA-N 0 3 294.398 3.984 20 30 CHEDHN CC(C)CCOCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000348991905 1127136601 /nfs/dbraw/zinc/13/66/01/1127136601.db2.gz OFESCHMEVFNEKM-UHFFFAOYSA-N 0 3 286.419 3.585 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCSc3c(F)cccc32)C1 ZINC000349339461 1127148210 /nfs/dbraw/zinc/14/82/10/1127148210.db2.gz CXALVOKXHITRNU-SUNKGSAMSA-N 0 3 276.380 3.644 20 30 CHEDHN Cc1cc(F)cc(C)c1CN1CCC(C)(C#N)CC1 ZINC001237326630 1131082562 /nfs/dbraw/zinc/08/25/62/1131082562.db2.gz SGWJRQSRUFJISE-UHFFFAOYSA-N 0 3 260.356 3.568 20 30 CHEDHN CC1=CCN(CCNc2cccc(C(F)F)c2C#N)CC1 ZINC000571296964 1127158957 /nfs/dbraw/zinc/15/89/57/1127158957.db2.gz DIYXAURFURQSIB-UHFFFAOYSA-N 0 3 291.345 3.560 20 30 CHEDHN C[C@@H](CC1CCOCC1)CN(CCC#N)CC(C)(C)C ZINC000349964646 1127168764 /nfs/dbraw/zinc/16/87/64/1127168764.db2.gz JYBAVYZCWRQXAG-HNNXBMFYSA-N 0 3 280.456 3.701 20 30 CHEDHN C=C(Cl)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000717976904 1127169914 /nfs/dbraw/zinc/16/99/14/1127169914.db2.gz XWTJJYANSVYSPO-GJZGRUSLSA-N 0 3 279.811 3.712 20 30 CHEDHN CN(C/C=C\c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000571721368 1127165975 /nfs/dbraw/zinc/16/59/75/1127165975.db2.gz CQFHZKMLASHCGN-IHWYPQMZSA-N 0 3 298.336 3.982 20 30 CHEDHN C=CCN(Cc1cc2cc(OC)ccc2o1)C1CC1 ZINC000350316730 1127177377 /nfs/dbraw/zinc/17/73/77/1127177377.db2.gz LJMZTMDWFVPRMP-UHFFFAOYSA-N 0 3 257.333 3.592 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc2cccc(F)c2o1 ZINC000571942974 1127182747 /nfs/dbraw/zinc/18/27/47/1127182747.db2.gz LKDBFNZNMMCZIV-LOWVWBTDSA-N 0 3 272.323 3.915 20 30 CHEDHN CCCCCCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001274802847 1127186183 /nfs/dbraw/zinc/18/61/83/1127186183.db2.gz WTFDNBXUXIZNHK-HOTGVXAUSA-N 0 3 294.483 3.678 20 30 CHEDHN C=CC[NH+](CC=C)Cc1cc(Br)c(C)cc1[O-] ZINC001237682253 1131126185 /nfs/dbraw/zinc/12/61/85/1131126185.db2.gz OYULCHUSDAAYQB-UHFFFAOYSA-N 0 3 296.208 3.637 20 30 CHEDHN C=C[C@H](COC)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001321242612 1127191532 /nfs/dbraw/zinc/19/15/32/1127191532.db2.gz YAOLZEBRUCMVCO-ZWNOBZJWSA-N 0 3 273.298 3.557 20 30 CHEDHN Cc1cc(C)cc([C@@H]2CCN(Cc3ccc(C#N)cn3)C2)c1 ZINC000572493820 1127201604 /nfs/dbraw/zinc/20/16/04/1127201604.db2.gz BHAHYAHXSTWXOX-QGZVFWFLSA-N 0 3 291.398 3.560 20 30 CHEDHN C=CCC[C@@H](NCc1cnc(C)nc1)c1ccccc1 ZINC000351751445 1127207325 /nfs/dbraw/zinc/20/73/25/1127207325.db2.gz BHPLFNSPWSLTCM-QGZVFWFLSA-N 0 3 267.376 3.582 20 30 CHEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(C)c1O ZINC000589176610 1127213377 /nfs/dbraw/zinc/21/33/77/1127213377.db2.gz FSPYGHCSEIQISF-SFHVURJKSA-N 0 3 292.382 3.658 20 30 CHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(C#N)c1 ZINC000589340428 1127217724 /nfs/dbraw/zinc/21/77/24/1127217724.db2.gz DSPZOLXBAFDMAP-DJJJIMSYSA-N 0 3 287.366 3.768 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000589343306 1127218314 /nfs/dbraw/zinc/21/83/14/1127218314.db2.gz MJXFWPIKPDUGDG-WOJBJXKFSA-N 0 3 299.377 3.694 20 30 CHEDHN C=CCC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000285394091 1127225252 /nfs/dbraw/zinc/22/52/52/1127225252.db2.gz WWBJBOSQDSUJHQ-CZUORRHYSA-N 0 3 255.365 3.768 20 30 CHEDHN CC(C)COc1ccccc1CN1CCC(CC#N)CC1 ZINC000572872478 1127229175 /nfs/dbraw/zinc/22/91/75/1127229175.db2.gz ZCOYVLJTRTYKFD-UHFFFAOYSA-N 0 3 286.419 3.847 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)c1ccccc1F)c1ccco1 ZINC000285916378 1127247115 /nfs/dbraw/zinc/24/71/15/1127247115.db2.gz DMTLMUYDWYRFDS-CVEARBPZSA-N 0 3 289.350 3.749 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCC[C@H](c3ccccc3)C2)n1 ZINC000352932215 1127252219 /nfs/dbraw/zinc/25/22/19/1127252219.db2.gz FEEKIZFMKODPOS-LSDHHAIUSA-N 0 3 297.427 3.831 20 30 CHEDHN C=C(CNCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000590301413 1127254708 /nfs/dbraw/zinc/25/47/08/1127254708.db2.gz DPGJKOHRSKYKOY-UHFFFAOYSA-N 0 3 277.289 3.907 20 30 CHEDHN N#Cc1cccc(CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000057621184 1127268244 /nfs/dbraw/zinc/26/82/44/1127268244.db2.gz FBFJDIMLLZIEDW-UHFFFAOYSA-N 0 3 280.346 3.862 20 30 CHEDHN CC(C)n1cc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353916950 1127278068 /nfs/dbraw/zinc/27/80/68/1127278068.db2.gz SIQOQOVRCKQARV-GOSISDBHSA-N 0 3 296.418 3.989 20 30 CHEDHN CCn1ccc(CN(C)CCC2(C#N)CCCCC2)c1 ZINC000591032469 1127283237 /nfs/dbraw/zinc/28/32/37/1127283237.db2.gz DJPCHDYGRLTYQX-UHFFFAOYSA-N 0 3 273.424 3.804 20 30 CHEDHN C=CCCCCN(C)Cc1cc(C)c(Cl)cn1 ZINC001238424045 1131197052 /nfs/dbraw/zinc/19/70/52/1131197052.db2.gz VDDVBTBRWHVRPJ-UHFFFAOYSA-N 0 3 252.789 3.832 20 30 CHEDHN CN(CCOc1cccc(Cl)c1)CCC(C)(C)C#N ZINC000157473257 1127317216 /nfs/dbraw/zinc/31/72/16/1127317216.db2.gz UMDAXGCQLIWHDO-UHFFFAOYSA-N 0 3 280.799 3.590 20 30 CHEDHN CC1(C)CCC[C@@H]1[C@@H]1CCN(C[C@H](C#N)CCC#N)C1 ZINC000592154697 1127337724 /nfs/dbraw/zinc/33/77/24/1127337724.db2.gz TUMGTNTZTJVIMF-ARFHVFGLSA-N 0 3 273.424 3.578 20 30 CHEDHN Cc1ccc([C@H]2C[C@H](C)N(Cc3ccncc3C#N)C2)cc1 ZINC000592116309 1127335597 /nfs/dbraw/zinc/33/55/97/1127335597.db2.gz ILBLBNMCYYQNIR-YJBOKZPZSA-N 0 3 291.398 3.640 20 30 CHEDHN CC1(C)[C@H](c2ccccc2)CCN1Cc1ccncc1C#N ZINC000592125650 1127337282 /nfs/dbraw/zinc/33/72/82/1127337282.db2.gz ZBMWQXKPORSQTD-SFHVURJKSA-N 0 3 291.398 3.721 20 30 CHEDHN CC(C)O[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000593053922 1127370174 /nfs/dbraw/zinc/37/01/74/1127370174.db2.gz OIXFSZSBHQGRMJ-WMLDXEAASA-N 0 3 272.392 3.509 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)CC12CCC2 ZINC000357018619 1127386803 /nfs/dbraw/zinc/38/68/03/1127386803.db2.gz ALNKNPJVSKBMBN-CYBMUJFWSA-N 0 3 272.367 3.709 20 30 CHEDHN C[C@@H](CCc1ccc(F)cc1)NCC1(C#N)CCCC1 ZINC000593653115 1127392814 /nfs/dbraw/zinc/39/28/14/1127392814.db2.gz CBDTYPLQZDNMKR-AWEZNQCLSA-N 0 3 274.383 3.820 20 30 CHEDHN CC[C@@H](CNCC1(C#N)CCCC1)c1ccccc1 ZINC000593652637 1127393482 /nfs/dbraw/zinc/39/34/82/1127393482.db2.gz FIROUVBNUVJAHU-HNNXBMFYSA-N 0 3 256.393 3.854 20 30 CHEDHN N#CC(C(=O)CCC1CCCC1)c1nc2ccccc2[nH]1 ZINC000046440807 1127400615 /nfs/dbraw/zinc/40/06/15/1127400615.db2.gz QHYBVHRMMNBBSM-CYBMUJFWSA-N 0 3 281.359 3.710 20 30 CHEDHN C=C(C)COCCN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000358295171 1127413592 /nfs/dbraw/zinc/41/35/92/1127413592.db2.gz YZTAXBDJIQBBHC-HNNXBMFYSA-N 0 3 295.810 3.736 20 30 CHEDHN C=C(CC)CN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000358736159 1127432929 /nfs/dbraw/zinc/43/29/29/1127432929.db2.gz KWHYKMVVLCIVNO-UHFFFAOYSA-N 0 3 285.387 3.513 20 30 CHEDHN Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccc1F ZINC000594920211 1127435416 /nfs/dbraw/zinc/43/54/16/1127435416.db2.gz SVCAXTBHUROOSZ-UHFFFAOYSA-N 0 3 294.373 3.979 20 30 CHEDHN C=CCCSCCNCc1cc(F)c(F)cc1F ZINC000594960842 1127440855 /nfs/dbraw/zinc/44/08/55/1127440855.db2.gz XFRMGEFHPAEXTR-UHFFFAOYSA-N 0 3 275.339 3.503 20 30 CHEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccccc2C#N)C12CCC2 ZINC000594990490 1127444567 /nfs/dbraw/zinc/44/45/67/1127444567.db2.gz ZDEPTEGAZWACJQ-IRXDYDNUSA-N 0 3 298.430 3.774 20 30 CHEDHN COc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1C ZINC000595106074 1127452937 /nfs/dbraw/zinc/45/29/37/1127452937.db2.gz REMWTDIDNIOBNN-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN C=C(CN[C@H](c1nc[nH]n1)C1CCCCC1)c1ccccc1 ZINC000292197825 1127455219 /nfs/dbraw/zinc/45/52/19/1127455219.db2.gz PKGJKTRTEOGODP-KRWDZBQOSA-N 0 3 296.418 3.729 20 30 CHEDHN C=C(C[NH2+][C@H](c1nnc[n-]1)C1CCCCC1)c1ccccc1 ZINC000292197825 1127455223 /nfs/dbraw/zinc/45/52/23/1127455223.db2.gz PKGJKTRTEOGODP-KRWDZBQOSA-N 0 3 296.418 3.729 20 30 CHEDHN C[C@H]1CC[C@@]2(CCN(Cc3ccccc3C#N)C2)C1 ZINC000359290683 1127456384 /nfs/dbraw/zinc/45/63/84/1127456384.db2.gz LSDYETJIFUVHDI-WMLDXEAASA-N 0 3 254.377 3.570 20 30 CHEDHN C[C@@H]1CC[C@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC000359311341 1127458109 /nfs/dbraw/zinc/45/81/09/1127458109.db2.gz SWGPAZWHJSBOEU-DOMZBBRYSA-N 0 3 260.406 3.632 20 30 CHEDHN N#CCCN(CC[C@H]1CCc2ccccc21)CC1CC1 ZINC000595334693 1127458713 /nfs/dbraw/zinc/45/87/13/1127458713.db2.gz SZIDSEXSWMGGCD-QGZVFWFLSA-N 0 3 268.404 3.732 20 30 CHEDHN CO[C@@H](CN[C@H](CCC#N)c1ccccc1)C1CCCC1 ZINC000595422422 1127462395 /nfs/dbraw/zinc/46/23/95/1127462395.db2.gz XSTRZCUIWKDWSB-MSOLQXFVSA-N 0 3 286.419 3.826 20 30 CHEDHN CC(C)c1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000595429623 1127462942 /nfs/dbraw/zinc/46/29/42/1127462942.db2.gz SCFUBELWMSSJDL-UHFFFAOYSA-N 0 3 256.393 3.936 20 30 CHEDHN CC(C)O[C@H](CN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595622817 1127468534 /nfs/dbraw/zinc/46/85/34/1127468534.db2.gz DOSMCFAMIOCMTB-FUHWJXTLSA-N 0 3 286.419 3.778 20 30 CHEDHN CC[C@H](c1ccc(F)cc1)N1CCC[C@H](CC#N)C1 ZINC000595616734 1127467935 /nfs/dbraw/zinc/46/79/35/1127467935.db2.gz WQBPIWGVBWVYED-CZUORRHYSA-N 0 3 260.356 3.902 20 30 CHEDHN CSc1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC000595620361 1127468859 /nfs/dbraw/zinc/46/88/59/1127468859.db2.gz MMKMMWZZFKXJQX-ZDUSSCGKSA-N 0 3 260.406 3.534 20 30 CHEDHN N#CC[C@H]1CCCN(CCOc2cccc3ccccc32)C1 ZINC000595613553 1127470066 /nfs/dbraw/zinc/47/00/66/1127470066.db2.gz FHUVEIWZONRIMH-MRXNPFEDSA-N 0 3 294.398 3.844 20 30 CHEDHN CC(C)(C#N)CCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000595703689 1127472748 /nfs/dbraw/zinc/47/27/48/1127472748.db2.gz NJCHSZWEBWFEDI-OAHLLOKOSA-N 0 3 260.356 3.902 20 30 CHEDHN C=CCC(C)(C)CNCc1ncc(CSC)s1 ZINC000292925162 1127487475 /nfs/dbraw/zinc/48/74/75/1127487475.db2.gz IOHCDGFYWVWNGA-UHFFFAOYSA-N 0 3 270.467 3.698 20 30 CHEDHN C=CCC(C)(C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000293491559 1127502678 /nfs/dbraw/zinc/50/26/78/1127502678.db2.gz PIPXOAODURIONW-UHFFFAOYSA-N 0 3 274.408 3.597 20 30 CHEDHN CC(C)(C#N)CCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596589805 1127509385 /nfs/dbraw/zinc/50/93/85/1127509385.db2.gz BBMJAPFVBDTBBO-HNNXBMFYSA-N 0 3 271.408 3.794 20 30 CHEDHN Cc1ccc2cc(CN3CCC[C@@H](CC#N)C3)ccc2n1 ZINC000597178043 1127533602 /nfs/dbraw/zinc/53/36/02/1127533602.db2.gz UTOICAXVEBKFKF-HNNXBMFYSA-N 0 3 279.387 3.669 20 30 CHEDHN N#Cc1c(F)cccc1CNCC1CCC(F)(F)CC1 ZINC000602018488 1127556582 /nfs/dbraw/zinc/55/65/82/1127556582.db2.gz YJLJTROQUHSKEL-UHFFFAOYSA-N 0 3 282.309 3.612 20 30 CHEDHN C/C=C\C[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001308887557 1127558403 /nfs/dbraw/zinc/55/84/03/1127558403.db2.gz WONKXRSQIGNNIB-KVLZDYKBSA-N 0 3 253.389 3.716 20 30 CHEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361374422 1127560024 /nfs/dbraw/zinc/56/00/24/1127560024.db2.gz GGXGFTXWOBARFJ-RTBURBONSA-N 0 3 297.398 3.706 20 30 CHEDHN Cc1ccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1 ZINC000361502941 1127568400 /nfs/dbraw/zinc/56/84/00/1127568400.db2.gz ZXFVVUUZXLWUSU-GOSISDBHSA-N 0 3 279.387 3.542 20 30 CHEDHN C[C@H](CCC#N)CN(C)[C@@H](C)c1cc(F)ccc1F ZINC000602437489 1127578631 /nfs/dbraw/zinc/57/86/31/1127578631.db2.gz AHHLNHHFBCNTJI-NEPJUHHUSA-N 0 3 266.335 3.897 20 30 CHEDHN C[C@H](CCC#N)CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000602442326 1127579882 /nfs/dbraw/zinc/57/98/82/1127579882.db2.gz LYBQEQHESPEXAB-VQIMIIECSA-N 0 3 293.414 3.833 20 30 CHEDHN C=CCN(Cc1ccccc1F)C[C@@H](C)CCC#N ZINC000602447232 1127580605 /nfs/dbraw/zinc/58/06/05/1127580605.db2.gz CEXJWCWZJPJJOS-AWEZNQCLSA-N 0 3 260.356 3.754 20 30 CHEDHN CC(C)(C)CN(CCC#N)C[C@H]1CCN(c2ccccc2)C1 ZINC000602465255 1127582459 /nfs/dbraw/zinc/58/24/59/1127582459.db2.gz MIYYJUBYTJNZLS-QGZVFWFLSA-N 0 3 299.462 3.775 20 30 CHEDHN C[C@H](CCC#N)CN1CCc2cccc(F)c2[C@H]1C ZINC000602468171 1127582748 /nfs/dbraw/zinc/58/27/48/1127582748.db2.gz JXBZLUHKPGIDEI-CHWSQXEVSA-N 0 3 260.356 3.685 20 30 CHEDHN C[C@@H](CCC#N)CN1CCc2cccc(F)c2[C@@H]1C ZINC000602468191 1127583236 /nfs/dbraw/zinc/58/32/36/1127583236.db2.gz JXBZLUHKPGIDEI-STQMWFEESA-N 0 3 260.356 3.685 20 30 CHEDHN C[C@H](CCC#N)CN1CCc2cccc(F)c2[C@@H]1C ZINC000602468186 1127583330 /nfs/dbraw/zinc/58/33/30/1127583330.db2.gz JXBZLUHKPGIDEI-OLZOCXBDSA-N 0 3 260.356 3.685 20 30 CHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1Cl ZINC000602503890 1127588674 /nfs/dbraw/zinc/58/86/74/1127588674.db2.gz NXYUOGBTQIAJEU-CYBMUJFWSA-N 0 3 292.810 3.529 20 30 CHEDHN N#Cc1cccc(CN[C@H](c2ccccc2)C2CCC2)n1 ZINC000602542392 1127589877 /nfs/dbraw/zinc/58/98/77/1127589877.db2.gz TWUQHYVLEYMVDQ-GOSISDBHSA-N 0 3 277.371 3.584 20 30 CHEDHN CC(C)COC[C@H](NC[C@H](C)CCC#N)c1ccco1 ZINC000602529294 1127591532 /nfs/dbraw/zinc/59/15/32/1127591532.db2.gz GAWHKVKTQNLNKS-CABCVRRESA-N 0 3 278.396 3.523 20 30 CHEDHN CC[C@H](C)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000602534812 1127591870 /nfs/dbraw/zinc/59/18/70/1127591870.db2.gz ROFBWHHHWYHIGC-BBRMVZONSA-N 0 3 287.407 3.550 20 30 CHEDHN N#CC1CCC(NCc2csc(-c3ccccc3)n2)CC1 ZINC000602536537 1127592001 /nfs/dbraw/zinc/59/20/01/1127592001.db2.gz UMJFPJOXZDXWJC-UHFFFAOYSA-N 0 3 297.427 3.982 20 30 CHEDHN N#CC1CCC(N[C@H](CF)c2ccc(F)cc2)CC1 ZINC000602752594 1127612136 /nfs/dbraw/zinc/61/21/36/1127612136.db2.gz ZVZKXOOIELZJSW-WDIPEOLASA-N 0 3 264.319 3.508 20 30 CHEDHN CCCc1ccc(CN2CCC(C)(C#N)CC2)s1 ZINC000598673245 1127632249 /nfs/dbraw/zinc/63/22/49/1127632249.db2.gz FADHBWMADXMBBE-UHFFFAOYSA-N 0 3 262.422 3.826 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599057505 1127653808 /nfs/dbraw/zinc/65/38/08/1127653808.db2.gz FNWFNCMAXZVDPX-RWMBFGLXSA-N 0 3 278.346 3.842 20 30 CHEDHN Cc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)cc1C#N ZINC000599364543 1127670003 /nfs/dbraw/zinc/67/00/03/1127670003.db2.gz LQUKWBVJSOZHLB-IFXJQAMLSA-N 0 3 291.398 3.845 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000599528415 1127678267 /nfs/dbraw/zinc/67/82/67/1127678267.db2.gz CUNJYHLHIUWSIE-GFCCVEGCSA-N 0 3 293.794 3.525 20 30 CHEDHN N#C[C@H]1CC[C@@H](N2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000599635516 1127684387 /nfs/dbraw/zinc/68/43/87/1127684387.db2.gz RIHPFLBTDIUWDC-XHDPSFHLSA-N 0 3 294.320 3.756 20 30 CHEDHN COCCN(Cc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000615223954 1127714384 /nfs/dbraw/zinc/71/43/84/1127714384.db2.gz ITHSMIDMHLIFQK-UHFFFAOYSA-N 0 3 292.810 3.603 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(C)s2)cc1C#N ZINC000087823959 1127758453 /nfs/dbraw/zinc/75/84/53/1127758453.db2.gz HGBCODJNZYVKNM-GFCCVEGCSA-N 0 3 286.400 3.788 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCCCO1 ZINC000594040081 1127778226 /nfs/dbraw/zinc/77/82/26/1127778226.db2.gz CZGZPNQUTYTUEV-HOTGVXAUSA-N 0 3 292.810 3.649 20 30 CHEDHN CC#CCN1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000607724098 1127825502 /nfs/dbraw/zinc/82/55/02/1127825502.db2.gz ARXRZMUDEXICKA-UHFFFAOYSA-N 0 3 266.388 3.679 20 30 CHEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cccnc1 ZINC000411435649 1127859989 /nfs/dbraw/zinc/85/99/89/1127859989.db2.gz DRIDPOFXGXSCQT-AWEZNQCLSA-N 0 3 257.381 3.596 20 30 CHEDHN COc1ccc(CN(C)CCC(C)(C)C#N)cc1Cl ZINC000412049028 1127894706 /nfs/dbraw/zinc/89/47/06/1127894706.db2.gz XNNWGZAHPQQELT-UHFFFAOYSA-N 0 3 280.799 3.720 20 30 CHEDHN C[C@@H](CN(C)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000608976587 1127896136 /nfs/dbraw/zinc/89/61/36/1127896136.db2.gz AJANMGNLCUQCGM-AWEZNQCLSA-N 0 3 282.362 3.933 20 30 CHEDHN N#Cc1ccc(F)cc1CN1CCCC12CCCCC2 ZINC000535443287 1127915832 /nfs/dbraw/zinc/91/58/32/1127915832.db2.gz UBCLWZOTIPMBND-UHFFFAOYSA-N 0 3 272.367 3.996 20 30 CHEDHN CC[C@@H]1CN(CC2(C#N)CC2)CC[C@H]1c1ccccc1 ZINC000539451289 1127923660 /nfs/dbraw/zinc/92/36/60/1127923660.db2.gz LCMPSEXLYOTWPP-NVXWUHKLSA-N 0 3 268.404 3.806 20 30 CHEDHN C=C(CC)CN(C)[C@H]1CCCc2nc(CC)sc21 ZINC000540216089 1127969564 /nfs/dbraw/zinc/96/95/64/1127969564.db2.gz YUOAMLXKVUNGSU-ZDUSSCGKSA-N 0 3 264.438 3.981 20 30 CHEDHN C=CCCC[C@H](C)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000540295792 1127972591 /nfs/dbraw/zinc/97/25/91/1127972591.db2.gz CUSNPHLIEUOKJL-HNNXBMFYSA-N 0 3 274.408 3.610 20 30 CHEDHN C=CCCC[C@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540335762 1127974955 /nfs/dbraw/zinc/97/49/55/1127974955.db2.gz FVOMPOWDBZOUJI-ZDUSSCGKSA-N 0 3 274.364 3.698 20 30 CHEDHN C=CCN(Cc1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000544600317 1127978686 /nfs/dbraw/zinc/97/86/86/1127978686.db2.gz MVTKOCXKXXCPMS-UHFFFAOYSA-N 0 3 257.377 3.551 20 30 CHEDHN C[C@H](CCc1ccccc1)CN(CCC#N)CC1CC1 ZINC000540497092 1127980873 /nfs/dbraw/zinc/98/08/73/1127980873.db2.gz ISRDWMUVUXPUDW-MRXNPFEDSA-N 0 3 270.420 3.881 20 30 CHEDHN C=CCN(Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000541762008 1128036866 /nfs/dbraw/zinc/03/68/66/1128036866.db2.gz KAWYNQURSOQVEO-UHFFFAOYSA-N 0 3 271.282 3.736 20 30 CHEDHN COc1ccc(OC)c([C@H](C)N[C@H](C)CC(C)(C)C#N)c1 ZINC000924572121 1128105592 /nfs/dbraw/zinc/10/55/92/1128105592.db2.gz QQYVKQMDUPLKMC-OLZOCXBDSA-N 0 3 290.407 3.683 20 30 CHEDHN Cc1cc(CN[C@@H]2CCc3c2cccc3F)ccc1C#N ZINC000443979062 1128108491 /nfs/dbraw/zinc/10/84/91/1128108491.db2.gz MZHSYDIRDJWXBZ-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CSCc2ccccc21 ZINC000924847613 1128114758 /nfs/dbraw/zinc/11/47/58/1128114758.db2.gz HGAIYNUTKQZUGX-SWLSCSKDSA-N 0 3 274.433 3.892 20 30 CHEDHN COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1F ZINC000487653718 1128115469 /nfs/dbraw/zinc/11/54/69/1128115469.db2.gz LHRFNMAUXBVMON-CYBMUJFWSA-N 0 3 298.361 3.899 20 30 CHEDHN COc1cc(Cl)ccc1CN[C@@H](C)CC(C)(C)C#N ZINC000924997004 1128118849 /nfs/dbraw/zinc/11/88/49/1128118849.db2.gz DRSUGTSLTDZANI-NSHDSACASA-N 0 3 280.799 3.767 20 30 CHEDHN C=CCOCCN[C@H](C)c1csc(C(F)(F)F)c1 ZINC000926115424 1128156119 /nfs/dbraw/zinc/15/61/19/1128156119.db2.gz JZGZCVIOVQVZHX-SECBINFHSA-N 0 3 279.327 3.620 20 30 CHEDHN C=CC(C)(C)CCCN[C@H](C)c1cn(C(C)C)nn1 ZINC000926823599 1128196944 /nfs/dbraw/zinc/19/69/44/1128196944.db2.gz UTHVBMCYVXMSEH-CYBMUJFWSA-N 0 3 264.417 3.502 20 30 CHEDHN COc1ccccc1C1(N[C@@H](C)CC(C)(C)C#N)CC1 ZINC000926633222 1128184662 /nfs/dbraw/zinc/18/46/62/1128184662.db2.gz PZZXICLRIOXKPH-ZDUSSCGKSA-N 0 3 272.392 3.602 20 30 CHEDHN C=CCOCCCN[C@H](C)c1cc(-c2ccccc2)no1 ZINC000926701619 1128189241 /nfs/dbraw/zinc/18/92/41/1128189241.db2.gz BMQPEXXQMIGNTN-CQSZACIVSA-N 0 3 286.375 3.585 20 30 CHEDHN Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1C#N ZINC000926963341 1128206665 /nfs/dbraw/zinc/20/66/65/1128206665.db2.gz DMIYMOJTQOKJOU-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN CC[C@H](N[C@@H](c1cnn(C)c1)C(C)C)c1ccc(C#N)cc1 ZINC000927071746 1128215791 /nfs/dbraw/zinc/21/57/91/1128215791.db2.gz UKLWWDAYMLPOQX-ZWKOTPCHSA-N 0 3 296.418 3.730 20 30 CHEDHN C[C@H](Cc1cccc(F)c1)NC1(CC#N)CCCC1 ZINC001168476298 1128226568 /nfs/dbraw/zinc/22/65/68/1128226568.db2.gz SRYDVLSVGHVSEM-CYBMUJFWSA-N 0 3 260.356 3.573 20 30 CHEDHN C[C@@H](Cc1cccc(F)c1)N1CCc2ccc(C#N)cc2C1 ZINC001168479708 1128241470 /nfs/dbraw/zinc/24/14/70/1128241470.db2.gz LAYJBMQXNZMHQF-AWEZNQCLSA-N 0 3 294.373 3.687 20 30 CHEDHN C[C@H]1CN(CC2CCC(C#N)CC2)C[C@@H](c2ccccc2)O1 ZINC000929345159 1128271148 /nfs/dbraw/zinc/27/11/48/1128271148.db2.gz ZASNOHAAYWZSFH-LOTPSLMQSA-N 0 3 298.430 3.778 20 30 CHEDHN CC(C)(C)N(Cc1ccc(F)cc1)Cc1cncc(C#N)c1 ZINC000929835529 1128290374 /nfs/dbraw/zinc/29/03/74/1128290374.db2.gz RSKTXPHETDTLDD-UHFFFAOYSA-N 0 3 297.377 3.893 20 30 CHEDHN CC(C)[C@@H](NCc1cncc(C#N)c1)c1ccc(F)cc1 ZINC000929862187 1128291357 /nfs/dbraw/zinc/29/13/57/1128291357.db2.gz WZENEYFFNGDPFS-QGZVFWFLSA-N 0 3 283.350 3.579 20 30 CHEDHN CC(C)(C)[C@@H](NCc1cncc(C#N)c1)c1ccc(F)cc1 ZINC000929893900 1128293017 /nfs/dbraw/zinc/29/30/17/1128293017.db2.gz SSTQVXPKXTUTSX-KRWDZBQOSA-N 0 3 297.377 3.969 20 30 CHEDHN CC(C)(C)[C@H](NCc1cncc(C#N)c1)c1ccccc1 ZINC000929892129 1128293140 /nfs/dbraw/zinc/29/31/40/1128293140.db2.gz YTOPHGBBJQAPFL-QGZVFWFLSA-N 0 3 279.387 3.830 20 30 CHEDHN N#CC1CCC(CN2CCc3cccc(F)c3C2)CC1 ZINC000930160009 1128303378 /nfs/dbraw/zinc/30/33/78/1128303378.db2.gz WAMDPAYRJNOSFC-UHFFFAOYSA-N 0 3 272.367 3.514 20 30 CHEDHN C=CCN(C[C@H]1[C@H](c2ccccc2)C1(F)F)C1CC1 ZINC000930175307 1128304545 /nfs/dbraw/zinc/30/45/45/1128304545.db2.gz IBLXJHFGMUEUBQ-GJZGRUSLSA-N 0 3 263.331 3.686 20 30 CHEDHN C[C@H]1CCN(CCCCC2(C#N)CCC2)C[C@@H]1F ZINC000930244787 1128310133 /nfs/dbraw/zinc/31/01/33/1128310133.db2.gz PLNYVCKYULBZMD-KBPBESRZSA-N 0 3 252.377 3.530 20 30 CHEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccsc1 ZINC000035719213 1128330755 /nfs/dbraw/zinc/33/07/55/1128330755.db2.gz BGWUIYAELVUQOG-UHFFFAOYSA-N 0 3 286.400 3.521 20 30 CHEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CC1CCCCC1 ZINC001123336626 1128364668 /nfs/dbraw/zinc/36/46/68/1128364668.db2.gz JNIIAEJAHDLDJB-UKRRQHHQSA-N 0 3 287.407 3.686 20 30 CHEDHN C#CCC1(NCc2nc(C)c(C)s2)CCCCC1 ZINC000933266017 1128432668 /nfs/dbraw/zinc/43/26/68/1128432668.db2.gz OARSXDICXPNNMW-UHFFFAOYSA-N 0 3 262.422 3.576 20 30 CHEDHN C=C(C)CN(C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000497114784 1128453886 /nfs/dbraw/zinc/45/38/86/1128453886.db2.gz MKIYOXJLQOVLGN-UHFFFAOYSA-N 0 3 261.262 3.852 20 30 CHEDHN C=CCN(Cc1cc(Cl)c2c(c1)OCCCO2)C(C)C ZINC000917069184 1128474759 /nfs/dbraw/zinc/47/47/59/1128474759.db2.gz JTESLPDMTCMOLX-UHFFFAOYSA-N 0 3 295.810 3.898 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(CC)nc1 ZINC000565271232 1128523198 /nfs/dbraw/zinc/52/31/98/1128523198.db2.gz NCAPZVIATIWGGQ-UHFFFAOYSA-N 0 3 280.415 3.875 20 30 CHEDHN CC(C)(CNC[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000556060280 1128543755 /nfs/dbraw/zinc/54/37/55/1128543755.db2.gz CVGQEWZRHAGQAE-ZDUSSCGKSA-N 0 3 289.810 3.651 20 30 CHEDHN CC(C)[C@@H](NCc1ccc(CC#N)cc1)c1cccnc1 ZINC000567501523 1128565385 /nfs/dbraw/zinc/56/53/85/1128565385.db2.gz ZFMOQGDNZBRNAB-GOSISDBHSA-N 0 3 279.387 3.635 20 30 CHEDHN CCCCCCCCCN(C)CC(=O)N1CCCCC1 ZINC000918741352 1128570028 /nfs/dbraw/zinc/57/00/28/1128570028.db2.gz HSTQIOBWZMVLKL-UHFFFAOYSA-N 0 3 282.472 3.681 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(Cl)s1 ZINC000130432617 1128582603 /nfs/dbraw/zinc/58/26/03/1128582603.db2.gz PSMASLYGMVKPLX-JTQLQIEISA-N 0 3 259.802 3.645 20 30 CHEDHN CC#CCN(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000572176336 1128643016 /nfs/dbraw/zinc/64/30/16/1128643016.db2.gz WEFJXVFHCVRCME-UHFFFAOYSA-N 0 3 269.310 3.939 20 30 CHEDHN COc1cc([C@H](C)NCc2ccc(CC#N)cc2)ccc1F ZINC000573360700 1128653834 /nfs/dbraw/zinc/65/38/34/1128653834.db2.gz RQNALARTCPCBHN-ZDUSSCGKSA-N 0 3 298.361 3.751 20 30 CHEDHN C=CCOCCNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000573628085 1128656271 /nfs/dbraw/zinc/65/62/71/1128656271.db2.gz FUNFPTLHDOTEDC-UHFFFAOYSA-N 0 3 286.202 3.775 20 30 CHEDHN CC(C)[C@@](C)(Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000601151090 1128700886 /nfs/dbraw/zinc/70/08/86/1128700886.db2.gz OMZOGOJQQGDFFX-QGZVFWFLSA-N 0 3 299.443 3.762 20 30 CHEDHN COc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000601267010 1128707532 /nfs/dbraw/zinc/70/75/32/1128707532.db2.gz SQTOKBXXTUXOLV-DJJJIMSYSA-N 0 3 292.382 3.905 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3ncccc32)cc1Cl ZINC000601279837 1128707905 /nfs/dbraw/zinc/70/79/05/1128707905.db2.gz JVTNMYZLLGQIBK-QGZVFWFLSA-N 0 3 297.789 3.774 20 30 CHEDHN CC[C@@H](NCC(C)(C)CC#N)c1cccc(OC)c1OC ZINC000601280597 1128708316 /nfs/dbraw/zinc/70/83/16/1128708316.db2.gz GKTVDZHTMUHBDJ-CQSZACIVSA-N 0 3 290.407 3.684 20 30 CHEDHN CC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000601306783 1128709919 /nfs/dbraw/zinc/70/99/19/1128709919.db2.gz RFIFVVFHVMIGQH-JHJVBQTASA-N 0 3 268.282 3.550 20 30 CHEDHN Cc1ccc(C[C@@H](C)N(C)Cc2ccccc2C#N)cc1 ZINC000610003592 1128734183 /nfs/dbraw/zinc/73/41/83/1128734183.db2.gz ZRPXJKMORNKJSC-MRXNPFEDSA-N 0 3 278.399 3.930 20 30 CHEDHN C=CCOCCN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000683161235 1117815263 /nfs/dbraw/zinc/81/52/63/1117815263.db2.gz WEYQLLYUKLNJPL-ZDUSSCGKSA-N 0 3 259.349 3.594 20 30 CHEDHN C=CCOCCN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000683161234 1117816034 /nfs/dbraw/zinc/81/60/34/1117816034.db2.gz WEYQLLYUKLNJPL-CYBMUJFWSA-N 0 3 259.349 3.594 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000286096724 1117906604 /nfs/dbraw/zinc/90/66/04/1117906604.db2.gz ZUFSEDVEKPUTGY-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN C=CCCC[C@H](C)N[C@@H]1CCCc2scnc21 ZINC000623928423 1117954533 /nfs/dbraw/zinc/95/45/33/1117954533.db2.gz PJDJAOGOFSFUPT-NWDGAFQWSA-N 0 3 250.411 3.855 20 30 CHEDHN C#C[C@@H]1CCCN(CCc2ccc(Cl)cc2Cl)C1 ZINC001209081060 1117994819 /nfs/dbraw/zinc/99/48/19/1117994819.db2.gz JGCKOSFRTICYSH-GFCCVEGCSA-N 0 3 282.214 3.881 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2C)cc1 ZINC000165339559 1118012244 /nfs/dbraw/zinc/01/22/44/1118012244.db2.gz XIZFVAJTOHQHLV-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN COc1cccc([C@@H](C)NCc2ccc(C#N)cc2C)c1 ZINC000165358343 1118016831 /nfs/dbraw/zinc/01/68/31/1118016831.db2.gz WXULTGOGCVUPDK-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN CC#CCN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000119407362 1118092555 /nfs/dbraw/zinc/09/25/55/1118092555.db2.gz GHRFHAYIGOWNHF-NSHDSACASA-N 0 3 288.391 3.932 20 30 CHEDHN CCCCCCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000842856418 1118144312 /nfs/dbraw/zinc/14/43/12/1118144312.db2.gz STNCINUGYDFIEV-AWEZNQCLSA-N 0 3 263.429 3.840 20 30 CHEDHN C=CCN(Cc1ccc(F)nc1)CC1CCCCC1 ZINC000779158094 1128760476 /nfs/dbraw/zinc/76/04/76/1128760476.db2.gz YWTNRKTWCDOINH-UHFFFAOYSA-N 0 3 262.372 3.789 20 30 CHEDHN C[C@H](Nc1ccnc2ccccc21)c1cccc(C#N)c1 ZINC000610340471 1118333881 /nfs/dbraw/zinc/33/38/81/1118333881.db2.gz ZTSSRKQTIFPYDB-ZDUSSCGKSA-N 0 3 273.339 3.701 20 30 CHEDHN CCc1cc(CN2CCC[C@H](C(F)F)C2)ccc1C#N ZINC001238770299 1131243263 /nfs/dbraw/zinc/24/32/63/1131243263.db2.gz ALDIYTOXVVZTHK-HNNXBMFYSA-N 0 3 278.346 3.598 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cn1)[C@H](C)c1ccccc1 ZINC000580960094 1118529850 /nfs/dbraw/zinc/52/98/50/1118529850.db2.gz DBWJWKYGIMPZLR-OAHLLOKOSA-N 0 3 279.387 3.925 20 30 CHEDHN C#CCC1(NCc2nc3cc(C)ccc3s2)CCC1 ZINC000933292791 1118601320 /nfs/dbraw/zinc/60/13/20/1118601320.db2.gz DKNGPPGGSXHSAO-UHFFFAOYSA-N 0 3 270.401 3.640 20 30 CHEDHN C#CCC1(NCc2ccc(-c3ncco3)cc2F)CCC1 ZINC000933295142 1118605558 /nfs/dbraw/zinc/60/55/58/1118605558.db2.gz PYBBWUSHPGUZRL-UHFFFAOYSA-N 0 3 284.334 3.516 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2csc(C)c2)cc1 ZINC000834889849 1118611872 /nfs/dbraw/zinc/61/18/72/1118611872.db2.gz GLRMXFJWIFSDEC-CQSZACIVSA-N 0 3 285.412 3.919 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000668492789 1118668818 /nfs/dbraw/zinc/66/88/18/1118668818.db2.gz GFFWEIPCXRESNF-CQSZACIVSA-N 0 3 273.424 3.562 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cncc(F)c1 ZINC000335906355 1118670414 /nfs/dbraw/zinc/67/04/14/1118670414.db2.gz XEMDUHZFSNBRJW-KPZWWZAWSA-N 0 3 295.361 3.821 20 30 CHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926190285 1118706768 /nfs/dbraw/zinc/70/67/68/1118706768.db2.gz QJGBVEJLZHLXIF-OLZOCXBDSA-N 0 3 290.455 3.926 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(C)(C)C ZINC000121517416 1118730409 /nfs/dbraw/zinc/73/04/09/1118730409.db2.gz OJDQTHVFAADZKD-GFCCVEGCSA-N 0 3 283.375 3.576 20 30 CHEDHN CCn1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000616785484 1128799451 /nfs/dbraw/zinc/79/94/51/1128799451.db2.gz UXKURUMSBFEFBD-AWEZNQCLSA-N 0 3 267.376 3.573 20 30 CHEDHN CC[C@H](c1ccccc1)N(CC)Cc1ccnc(C#N)c1 ZINC000610991940 1118917907 /nfs/dbraw/zinc/91/79/07/1118917907.db2.gz XAFJGIHABBPURT-GOSISDBHSA-N 0 3 279.387 3.926 20 30 CHEDHN CCCN(Cc1ccc(C)cc1)Cc1ccnc(C#N)c1 ZINC000610991187 1118917958 /nfs/dbraw/zinc/91/79/58/1118917958.db2.gz BDILWQXVFRCACO-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN Cc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000105487518 1118982376 /nfs/dbraw/zinc/98/23/76/1118982376.db2.gz AMQAKLFKWKKGGL-CQSZACIVSA-N 0 3 298.361 3.887 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CS1 ZINC000617099089 1128814729 /nfs/dbraw/zinc/81/47/29/1128814729.db2.gz RUSYOFHYCHNJFZ-HIFRSBDPSA-N 0 3 292.423 3.707 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc(F)cc2)cc1 ZINC000161144625 1119014606 /nfs/dbraw/zinc/01/46/06/1119014606.db2.gz UKLHOUQWEHJNGT-AWEZNQCLSA-N 0 3 298.361 3.749 20 30 CHEDHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000611588559 1119055639 /nfs/dbraw/zinc/05/56/39/1119055639.db2.gz GJJYPWVGYRIKID-MWLCHTKSSA-N 0 3 268.282 3.536 20 30 CHEDHN C=CCC1(NCc2nncn2-c2ccccc2)CCCCC1 ZINC000625934215 1119073388 /nfs/dbraw/zinc/07/33/88/1119073388.db2.gz FKTUVCQWXDJUPW-UHFFFAOYSA-N 0 3 296.418 3.636 20 30 CHEDHN C=CC[C@H]1CCN1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000934467837 1119080730 /nfs/dbraw/zinc/08/07/30/1119080730.db2.gz WDKNJNOZCMNVEY-HNNXBMFYSA-N 0 3 283.371 3.560 20 30 CHEDHN CC(C)N(Cc1ccco1)Cc1ccc(CC#N)cc1 ZINC000342659104 1119117343 /nfs/dbraw/zinc/11/73/43/1119117343.db2.gz HBZRZSZZDSEIAV-UHFFFAOYSA-N 0 3 268.360 3.756 20 30 CHEDHN C[C@H](c1ccco1)N(C)CCCOc1ccc(C#N)cc1 ZINC000069066542 1128822672 /nfs/dbraw/zinc/82/26/72/1128822672.db2.gz GTIKFDRQQGYSFP-CQSZACIVSA-N 0 3 284.359 3.613 20 30 CHEDHN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(CC#N)cc1 ZINC000342759232 1119155825 /nfs/dbraw/zinc/15/58/25/1119155825.db2.gz XDMUPTGWIQIRTD-CQSZACIVSA-N 0 3 280.371 3.651 20 30 CHEDHN N#CCCN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000342845686 1119206974 /nfs/dbraw/zinc/20/69/74/1119206974.db2.gz KDDJDKMNCILIJP-ZIAGYGMSSA-N 0 3 282.309 3.845 20 30 CHEDHN C=CCOCCCNCc1csc(Cl)c1Cl ZINC000657659187 1119228443 /nfs/dbraw/zinc/22/84/43/1119228443.db2.gz QJPFDSDXIBXTSO-UHFFFAOYSA-N 0 3 280.220 3.737 20 30 CHEDHN Cn1cccc1[C@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000343609873 1119471064 /nfs/dbraw/zinc/47/10/64/1119471064.db2.gz MJJVPXGOHKQAJB-LJQANCHMSA-N 0 3 293.414 3.818 20 30 CHEDHN C=CCCC[C@H](C)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000091633063 1119557582 /nfs/dbraw/zinc/55/75/82/1119557582.db2.gz PKMOYJSGFAZBRV-NSHDSACASA-N 0 3 289.345 3.616 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cccc(OC)c2OC(F)F)C1 ZINC000628405155 1128856586 /nfs/dbraw/zinc/85/65/86/1128856586.db2.gz FFFGVXBCKDFXFT-GFCCVEGCSA-N 0 3 297.345 3.695 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000628407080 1128856940 /nfs/dbraw/zinc/85/69/40/1128856940.db2.gz YMPSVJKJHBNUAJ-LLVKDONJSA-N 0 3 276.380 3.833 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C(C)C)s1 ZINC000657905101 1119623953 /nfs/dbraw/zinc/62/39/53/1119623953.db2.gz XRJMBTDGCRMMEC-QWHCGFSZSA-N 0 3 279.453 3.886 20 30 CHEDHN C=CCOc1ccccc1CN1CCCC(F)(F)CC1 ZINC000628422016 1128858701 /nfs/dbraw/zinc/85/87/01/1128858701.db2.gz JBPBPWYPKSAHNC-UHFFFAOYSA-N 0 3 281.346 3.873 20 30 CHEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(CC#N)cc1 ZINC000612121893 1119715225 /nfs/dbraw/zinc/71/52/25/1119715225.db2.gz SIZNLUJEEXXCQR-IUODEOHRSA-N 0 3 296.336 3.915 20 30 CHEDHN CCCCCCCCC[C@H](C)OC[C@H]1CNCCO1 ZINC001217897732 1119739366 /nfs/dbraw/zinc/73/93/66/1119739366.db2.gz ZTIWBXFTQTYWPI-JKSUJKDBSA-N 0 3 271.445 3.521 20 30 CHEDHN C[C@H](CCc1ccccc1)CN1CCC[C@@](C)(C#N)C1 ZINC000612406829 1119784581 /nfs/dbraw/zinc/78/45/81/1119784581.db2.gz VCZHBYXAADOGSQ-AEFFLSMTSA-N 0 3 270.420 3.881 20 30 CHEDHN CC[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(C#N)cc1 ZINC000414135204 1119912238 /nfs/dbraw/zinc/91/22/38/1119912238.db2.gz DKLWGGYVMGXCMX-SJCJKPOMSA-N 0 3 283.350 3.894 20 30 CHEDHN COC[C@H](NCC(C)(C)CC#N)c1ccc(Cl)cc1 ZINC000414159897 1119920426 /nfs/dbraw/zinc/92/04/26/1119920426.db2.gz CCYRPFOACHZCOY-AWEZNQCLSA-N 0 3 280.799 3.557 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1csc(Cl)c1 ZINC000414161305 1119921201 /nfs/dbraw/zinc/92/12/01/1119921201.db2.gz FEFTVNPMQSDUMX-VIFPVBQESA-N 0 3 256.802 3.992 20 30 CHEDHN C=CCN(C)Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143469006 1119964881 /nfs/dbraw/zinc/96/48/81/1119964881.db2.gz OZJKKWPZUFWBAP-UHFFFAOYSA-N 0 3 259.271 3.511 20 30 CHEDHN C=CCC[C@@H](CCC)NCc1nnc(C2CC2)s1 ZINC000414320839 1119982901 /nfs/dbraw/zinc/98/29/01/1119982901.db2.gz CXBZGBQSVZTDMN-GFCCVEGCSA-N 0 3 265.426 3.640 20 30 CHEDHN C#C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)C(C)C ZINC000311276182 1120058704 /nfs/dbraw/zinc/05/87/04/1120058704.db2.gz HIYJPFZVISBAOX-CYBMUJFWSA-N 0 3 273.273 3.592 20 30 CHEDHN C=CC[C@@H](C)NCc1cccc(F)c1Br ZINC000122263982 1120102879 /nfs/dbraw/zinc/10/28/79/1120102879.db2.gz RLESQRHSZUVWTC-SECBINFHSA-N 0 3 272.161 3.642 20 30 CHEDHN CN(Cc1cccc(C#N)c1)Cc1ccnc2ccccc12 ZINC000387901249 1120156424 /nfs/dbraw/zinc/15/64/24/1120156424.db2.gz UTLZBTBYCLBHBO-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC001116621474 1120173671 /nfs/dbraw/zinc/17/36/71/1120173671.db2.gz VUZXNOYBVWHUHW-ZFWWWQNUSA-N 0 3 277.408 3.716 20 30 CHEDHN C=CCC[C@@H](O)CN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000472782676 1120175439 /nfs/dbraw/zinc/17/54/39/1120175439.db2.gz CNENCDBBTOIKSE-CQSZACIVSA-N 0 3 288.218 3.752 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000303554393 1120177889 /nfs/dbraw/zinc/17/78/89/1120177889.db2.gz KCVGAQYGEOUYMR-GOSISDBHSA-N 0 3 266.388 3.881 20 30 CHEDHN COc1cc(CN2CCC(CC#N)CC2)ccc1SC ZINC000542853529 1120180667 /nfs/dbraw/zinc/18/06/67/1120180667.db2.gz IOJVOIVPRNUJMD-UHFFFAOYSA-N 0 3 290.432 3.543 20 30 CHEDHN Cc1oc2ccccc2c1CNCc1ccc(C#N)cc1 ZINC000123263930 1120210076 /nfs/dbraw/zinc/21/00/76/1120210076.db2.gz WPASRHAKEBNRDC-UHFFFAOYSA-N 0 3 276.339 3.903 20 30 CHEDHN C[C@H](N[C@@H](CCCO)c1ccccc1)c1cccc(C#N)c1 ZINC000305756609 1120223510 /nfs/dbraw/zinc/22/35/10/1120223510.db2.gz ALWDMRNGPUASCT-KXBFYZLASA-N 0 3 294.398 3.723 20 30 CHEDHN Cc1cc(CN[C@H]2CSCc3ccccc32)ccc1C#N ZINC000618192020 1128900771 /nfs/dbraw/zinc/90/07/71/1128900771.db2.gz XCDQNSSKYCCISW-SFHVURJKSA-N 0 3 294.423 3.944 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CCCC3)CC2)c(F)c1 ZINC000062953860 1120257062 /nfs/dbraw/zinc/25/70/62/1120257062.db2.gz NVTISMGBBZJDGU-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN C[C@H](C1CC1)N(Cc1cn2ccccc2c1C#N)C1CC1 ZINC000075683820 1120263941 /nfs/dbraw/zinc/26/39/41/1120263941.db2.gz VCMWVCIITOPHJF-CYBMUJFWSA-N 0 3 279.387 3.574 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1csc(C#N)c1)[C@H](C)C2 ZINC000921981709 1120317669 /nfs/dbraw/zinc/31/76/69/1120317669.db2.gz VTAKWXDASPXTJN-SJKOYZFVSA-N 0 3 282.412 3.951 20 30 CHEDHN C=C(Cl)CN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000309545073 1120321693 /nfs/dbraw/zinc/32/16/93/1120321693.db2.gz GTTSAZXPMDGKSA-VIFPVBQESA-N 0 3 260.164 3.757 20 30 CHEDHN C[C@H]1CCCN(Cc2sc(N)c(C#N)c2Cl)C[C@H]1C ZINC001141106722 1120354040 /nfs/dbraw/zinc/35/40/40/1120354040.db2.gz GFPDBEPYNOBRQC-VHSXEESVSA-N 0 3 297.855 3.723 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000067501551 1120443056 /nfs/dbraw/zinc/44/30/56/1120443056.db2.gz XKYDXNUCUXTQLJ-KRWDZBQOSA-N 0 3 282.774 3.989 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000426457654 1120471816 /nfs/dbraw/zinc/47/18/16/1120471816.db2.gz YRDSCLKXDWBXSA-GXTWGEPZSA-N 0 3 292.329 3.534 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1csc(COC)n1 ZINC000657529386 1120489391 /nfs/dbraw/zinc/48/93/91/1120489391.db2.gz VFXRFPHVCVMKED-JSGCOSHPSA-N 0 3 280.437 3.514 20 30 CHEDHN C=CCOCCCNCc1csc(-c2cccs2)n1 ZINC000657658344 1120507310 /nfs/dbraw/zinc/50/73/10/1120507310.db2.gz SORVLDRRPQCWOB-UHFFFAOYSA-N 0 3 294.445 3.554 20 30 CHEDHN C=C(Cl)CNC1CC(c2ccc(F)cc2F)C1 ZINC000893350578 1120562424 /nfs/dbraw/zinc/56/24/24/1120562424.db2.gz JASWYAHTICTAHB-UHFFFAOYSA-N 0 3 257.711 3.553 20 30 CHEDHN C[C@H](c1ccco1)N(C)CCCOc1cccc(C#N)c1 ZINC000155797593 1120600098 /nfs/dbraw/zinc/60/00/98/1120600098.db2.gz QAOOAACNBHDRFW-CQSZACIVSA-N 0 3 284.359 3.613 20 30 CHEDHN N#Cc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000125631863 1120619845 /nfs/dbraw/zinc/61/98/45/1120619845.db2.gz UNOWHRLGGPXWGD-UHFFFAOYSA-N 0 3 298.430 3.872 20 30 CHEDHN C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000766018202 1120655741 /nfs/dbraw/zinc/65/57/41/1120655741.db2.gz GJZAVRKZCNFXEH-KBXCAEBGSA-N 0 3 294.398 3.985 20 30 CHEDHN N#Cc1cccc(CN(C2CCC2)C2CCC2)c1F ZINC000429154274 1120682303 /nfs/dbraw/zinc/68/23/03/1120682303.db2.gz ZNZAGHRXJZSOMJ-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162859474 1120694405 /nfs/dbraw/zinc/69/44/05/1120694405.db2.gz BNULCULVRNUGGA-TXEJJXNPSA-N 0 3 262.784 3.690 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000093115899 1120707822 /nfs/dbraw/zinc/70/78/22/1120707822.db2.gz KGDYMORDIDJZBV-SFHVURJKSA-N 0 3 280.346 3.865 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000093116444 1120708193 /nfs/dbraw/zinc/70/81/93/1120708193.db2.gz VPCOLZOCVKBCRA-SFHVURJKSA-N 0 3 280.346 3.865 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000661114976 1120719218 /nfs/dbraw/zinc/71/92/18/1120719218.db2.gz NSIUBXHHVHYQDE-JSGCOSHPSA-N 0 3 260.381 3.777 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2ncccc2c1 ZINC000618742155 1128935900 /nfs/dbraw/zinc/93/59/00/1128935900.db2.gz RYSXDKMDLVPFQP-FQEVSTJZSA-N 0 3 299.377 3.884 20 30 CHEDHN C=CC[C@@H]1CC[C@H](N[C@H](COC)c2ccc(C)o2)C1 ZINC000651728569 1120728812 /nfs/dbraw/zinc/72/88/12/1120728812.db2.gz CPMPJRPPRPIHLB-QLFBSQMISA-N 0 3 263.381 3.610 20 30 CHEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000651732384 1120729662 /nfs/dbraw/zinc/72/96/62/1120729662.db2.gz SXPOXNYFZDDOSZ-XHSDSOJGSA-N 0 3 296.418 3.663 20 30 CHEDHN Cc1cncc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618802191 1128937869 /nfs/dbraw/zinc/93/78/69/1128937869.db2.gz CZJZSNQKTFDALC-FZKQIMNGSA-N 0 3 277.371 3.600 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(F)c(Br)c1 ZINC000273265568 1120773308 /nfs/dbraw/zinc/77/33/08/1120773308.db2.gz NTMWOOMLWWJYPL-VIFPVBQESA-N 0 3 285.160 3.543 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccc(F)cc21 ZINC000618803175 1128939713 /nfs/dbraw/zinc/93/97/13/1128939713.db2.gz GZSSXQULQBIEPG-RBUKOAKNSA-N 0 3 292.357 3.962 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccs1 ZINC000618807345 1128940416 /nfs/dbraw/zinc/94/04/16/1128940416.db2.gz YFPNGCAZHMVBSK-IAQYHMDHSA-N 0 3 268.385 3.958 20 30 CHEDHN CC(C)(CC#N)CNCc1cc(Cl)cc(Cl)c1N ZINC000602689294 1120940199 /nfs/dbraw/zinc/94/01/99/1120940199.db2.gz BKBJUIPESPKLOH-UHFFFAOYSA-N 0 3 286.206 3.605 20 30 CHEDHN C#CCCN[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000070190983 1128952559 /nfs/dbraw/zinc/95/25/59/1128952559.db2.gz VVUKEHYEFFBHCX-QMMMGPOBSA-N 0 3 260.139 3.806 20 30 CHEDHN N#Cc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000131360019 1120974650 /nfs/dbraw/zinc/97/46/50/1120974650.db2.gz LRWMCBLNVWVFPT-UHFFFAOYSA-N 0 3 272.298 3.786 20 30 CHEDHN CC[C@@H]1CCC[C@H](C)N1Cc1cccc(C#N)c1F ZINC001174779293 1121027646 /nfs/dbraw/zinc/02/76/46/1121027646.db2.gz DCFIIVQPIPQUTL-SWLSCSKDSA-N 0 3 260.356 3.850 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000625700156 1121060411 /nfs/dbraw/zinc/06/04/11/1121060411.db2.gz HXOFHYNFFCCVAW-CQSZACIVSA-N 0 3 298.386 3.748 20 30 CHEDHN C=CCOc1ccccc1CN(CC)CCc1ccccn1 ZINC000107402171 1121108126 /nfs/dbraw/zinc/10/81/26/1121108126.db2.gz PPXHOISLTPGIIS-UHFFFAOYSA-N 0 3 296.414 3.711 20 30 CHEDHN Fc1ccc(C#CCN2C3CCCC2CCC3)cc1 ZINC000676624434 1121450523 /nfs/dbraw/zinc/45/05/23/1121450523.db2.gz BJHCKQRBBHNMBF-UHFFFAOYSA-N 0 3 257.352 3.584 20 30 CHEDHN C=CCCC[C@H](NC/C=C(/C)C(=O)OC)c1ccccc1 ZINC001175767178 1121459488 /nfs/dbraw/zinc/45/94/88/1121459488.db2.gz IKEUGQAHABGKJJ-REZBVGGZSA-N 0 3 287.403 3.793 20 30 CHEDHN C[C@H](NCC(C)(C)C#N)[C@@H](C)c1ccc(Cl)cc1 ZINC000619428866 1128990922 /nfs/dbraw/zinc/99/09/22/1128990922.db2.gz IVXGXAVTVOSJCC-NEPJUHHUSA-N 0 3 264.800 3.971 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419305838 1121635961 /nfs/dbraw/zinc/63/59/61/1121635961.db2.gz XMCKXJABFIWCDR-HNNXBMFYSA-N 0 3 292.373 3.912 20 30 CHEDHN Cc1ccccc1[C@H](NCc1ccnc(C#N)c1)C1CC1 ZINC000611433900 1121647639 /nfs/dbraw/zinc/64/76/39/1121647639.db2.gz YMQWNBIHCPYKAR-GOSISDBHSA-N 0 3 277.371 3.503 20 30 CHEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccccc1Cl ZINC001176798572 1121697118 /nfs/dbraw/zinc/69/71/18/1121697118.db2.gz SXDGCVFJXMPAKD-CYBMUJFWSA-N 0 3 294.826 3.955 20 30 CHEDHN Cc1cc(C#N)ccc1CN(Cc1ccco1)C(C)C ZINC000614396796 1121707524 /nfs/dbraw/zinc/70/75/24/1121707524.db2.gz PHVDTXHIVKTWCD-UHFFFAOYSA-N 0 3 268.360 3.870 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000614407775 1121713084 /nfs/dbraw/zinc/71/30/84/1121713084.db2.gz ZEMCMDPZFQYHFM-CQSZACIVSA-N 0 3 275.355 3.589 20 30 CHEDHN CCCN(Cc1ccccc1O)Cc1cc(C#N)ccc1F ZINC000727830817 1121749541 /nfs/dbraw/zinc/74/95/41/1121749541.db2.gz PPZOXNCPQWDQDD-UHFFFAOYSA-N 0 3 298.361 3.815 20 30 CHEDHN C=CC[C@H](NCc1ccc2c(c1)CCC2)c1ccncc1 ZINC001177886043 1121755562 /nfs/dbraw/zinc/75/55/62/1121755562.db2.gz VULNJWBYDMCCCE-IBGZPJMESA-N 0 3 278.399 3.977 20 30 CHEDHN CCCCCCCCCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000732033642 1121905162 /nfs/dbraw/zinc/90/51/62/1121905162.db2.gz ACVBFPFRLUWSNL-KRWDZBQOSA-N 0 3 294.483 3.822 20 30 CHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(C(C)(C)C)s1 ZINC000280599089 1121914150 /nfs/dbraw/zinc/91/41/50/1121914150.db2.gz JCYDVMWMCKIOMP-SWLSCSKDSA-N 0 3 294.464 3.511 20 30 CHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(C(C)(C)C)n1 ZINC000280736208 1121931510 /nfs/dbraw/zinc/93/15/10/1121931510.db2.gz WJZJBNIPPKMDIY-TZMCWYRMSA-N 0 3 294.464 3.511 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc(C#N)cc1OC ZINC000501208097 1121962522 /nfs/dbraw/zinc/96/25/22/1121962522.db2.gz XPVXTFNOEGXNDB-UHFFFAOYSA-N 0 3 272.392 3.745 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000153121073 1129022600 /nfs/dbraw/zinc/02/26/00/1129022600.db2.gz MRQCSSBTISKRKE-GFCCVEGCSA-N 0 3 288.347 3.698 20 30 CHEDHN Cc1cc2cc(CNCc3ccc(C#N)c(F)c3)ccc2[nH]1 ZINC001181574844 1122063700 /nfs/dbraw/zinc/06/37/00/1122063700.db2.gz CGYIOHACIJCCHI-UHFFFAOYSA-N 0 3 293.345 3.777 20 30 CHEDHN C#CCN(Cc1cccc(CC2CCC2)c1)C1CC1 ZINC001181880260 1122089957 /nfs/dbraw/zinc/08/99/57/1122089957.db2.gz QOUZLTLFHSOATN-UHFFFAOYSA-N 0 3 253.389 3.627 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2nn(CC)c3ccccc23)C1 ZINC001182795843 1122187309 /nfs/dbraw/zinc/18/73/09/1122187309.db2.gz LYUGDICBDRYAQV-HNNXBMFYSA-N 0 3 283.419 3.844 20 30 CHEDHN CCC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccccn1 ZINC000924946326 1122205607 /nfs/dbraw/zinc/20/56/07/1122205607.db2.gz NAGIFFYRDFEKDN-HIFRSBDPSA-N 0 3 259.397 3.841 20 30 CHEDHN CC(C)(CNCC1(C#N)CCCC1)c1ccccc1 ZINC000405127931 1122380543 /nfs/dbraw/zinc/38/05/43/1122380543.db2.gz FEIZSTUDQJVTIH-UHFFFAOYSA-N 0 3 256.393 3.638 20 30 CHEDHN C=CCCCCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000515366732 1122495335 /nfs/dbraw/zinc/49/53/35/1122495335.db2.gz PERRCRGHSLIHLZ-QGZVFWFLSA-N 0 3 287.382 3.595 20 30 CHEDHN COc1ccc(CNCc2cccc(C(C)C)c2)cc1C#N ZINC000775342748 1122523140 /nfs/dbraw/zinc/52/31/40/1122523140.db2.gz VXWIMQQHFHJBJJ-UHFFFAOYSA-N 0 3 294.398 3.980 20 30 CHEDHN C#CC[C@@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775399513 1122545102 /nfs/dbraw/zinc/54/51/02/1122545102.db2.gz RYHCIAPWDCKXIV-QWHCGFSZSA-N 0 3 268.187 3.534 20 30 CHEDHN C=C(Br)CN1CCC[C@@H]1[C@@H](C)CCC ZINC001192174425 1122633518 /nfs/dbraw/zinc/63/35/18/1122633518.db2.gz ROKNKWAVCZYSBU-CMPLNLGQSA-N 0 3 260.219 3.796 20 30 CHEDHN CCN(C[C@H](C)C#N)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437581388 1122643823 /nfs/dbraw/zinc/64/38/23/1122643823.db2.gz PIHJQNGFLABWMO-NJAFHUGGSA-N 0 3 270.420 3.978 20 30 CHEDHN COCC#CCN[C@@H](c1oc2ccccc2c1C)C(C)C ZINC001192791954 1122660199 /nfs/dbraw/zinc/66/01/99/1122660199.db2.gz OCFBSIVORWGHBM-QGZVFWFLSA-N 0 3 285.387 3.678 20 30 CHEDHN C#C[C@H](N[C@@H](C)c1cccc2ccccc21)[C@H]1CCCO1 ZINC000775571571 1122677453 /nfs/dbraw/zinc/67/74/53/1122677453.db2.gz IKLFGRADKPQQRB-ZOCIIQOWSA-N 0 3 279.383 3.671 20 30 CHEDHN CCCCCCCCCCN1CCC[C@@]12CCOC2=O ZINC001193627241 1122702271 /nfs/dbraw/zinc/70/22/71/1122702271.db2.gz YULUIESRGDMQMI-KRWDZBQOSA-N 0 3 281.440 3.909 20 30 CHEDHN CCC[C@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000438543371 1122709262 /nfs/dbraw/zinc/70/92/62/1122709262.db2.gz ZJORBJXNYBFVOH-AWEZNQCLSA-N 0 3 272.392 3.579 20 30 CHEDHN N#CC(C(=O)C=CSc1ccccc1)c1ccccn1 ZINC000193388105 1129073810 /nfs/dbraw/zinc/07/38/10/1129073810.db2.gz XAMJAAMOHDTVIC-MARXPDLDSA-N 0 3 280.352 3.564 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cccnc1NC ZINC001138691977 1129075622 /nfs/dbraw/zinc/07/56/22/1129075622.db2.gz AALZNJBGAHOGPB-UHFFFAOYSA-N 0 3 281.403 3.702 20 30 CHEDHN C#CCCN(C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001195728920 1122882373 /nfs/dbraw/zinc/88/23/73/1122882373.db2.gz KRXGPOXNZFMTSL-CQSZACIVSA-N 0 3 277.795 3.681 20 30 CHEDHN C=CCN(CC=C)C/C(C)=C\c1ccccc1COC ZINC000506865217 1122909406 /nfs/dbraw/zinc/90/94/06/1122909406.db2.gz DSZQFKRLWVHOAP-SSZFMOIBSA-N 0 3 271.404 3.910 20 30 CHEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001203314930 1122983726 /nfs/dbraw/zinc/98/37/26/1122983726.db2.gz QJJYKHHRACWIRX-SFHVURJKSA-N 0 3 292.382 3.602 20 30 CHEDHN C[C@@H](NCc1cc(C#N)ccc1Br)C1(C)CC1 ZINC001198406204 1122990248 /nfs/dbraw/zinc/99/02/48/1122990248.db2.gz GMFZBRMOKZZRJC-SNVBAGLBSA-N 0 3 293.208 3.599 20 30 CHEDHN CCCCCCCCCNCc1cn(C)nc1Cl ZINC001199037663 1123018817 /nfs/dbraw/zinc/01/88/17/1123018817.db2.gz CHKCQCQODSXXPP-UHFFFAOYSA-N 0 3 271.836 3.914 20 30 CHEDHN CCN(C)c1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000776154671 1123086234 /nfs/dbraw/zinc/08/62/34/1123086234.db2.gz CEVCECVXYHLMII-OAHLLOKOSA-N 0 3 293.414 3.865 20 30 CHEDHN C=CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000776156943 1123087225 /nfs/dbraw/zinc/08/72/25/1123087225.db2.gz MVFNCAQRJCKUEJ-RDTXWAMCSA-N 0 3 277.371 3.921 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280803920 1123126389 /nfs/dbraw/zinc/12/63/89/1123126389.db2.gz LCWYMSDLSMPKHE-KYJSFNMBSA-N 0 3 289.419 3.723 20 30 CHEDHN COc1ccc(C#N)cc1Nc1ccnc(C2CC2)c1 ZINC001201582316 1123127777 /nfs/dbraw/zinc/12/77/77/1123127777.db2.gz XVKMOTPNDBAJIX-UHFFFAOYSA-N 0 3 265.316 3.583 20 30 CHEDHN CCCCCCCCN1CC(N2CCC(F)(F)CC2)C1 ZINC001201826467 1123153241 /nfs/dbraw/zinc/15/32/41/1123153241.db2.gz WWJAFNKCHNPWPC-UHFFFAOYSA-N 0 3 288.426 3.762 20 30 CHEDHN C=CCOc1ccccc1CN(C)Cc1ccccc1O ZINC000091956775 1123161998 /nfs/dbraw/zinc/16/19/98/1123161998.db2.gz TUDUDOZLYUBLGH-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C=C[C@@H](COC)NCc1ccc(C2CC2)c(C2CC2)c1 ZINC001202093388 1123174692 /nfs/dbraw/zinc/17/46/92/1123174692.db2.gz SRFUAETZUNFNHG-INIZCTEOSA-N 0 3 271.404 3.732 20 30 CHEDHN N#CCC1(CN[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000430739331 1123223511 /nfs/dbraw/zinc/22/35/11/1123223511.db2.gz HXJQRCKQABOVQR-CYBMUJFWSA-N 0 3 276.380 3.646 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(OCC)cc2C)c1 ZINC000850321210 1123253457 /nfs/dbraw/zinc/25/34/57/1123253457.db2.gz JQFKCRJGYBKFPA-UHFFFAOYSA-N 0 3 279.383 3.665 20 30 CHEDHN CC(C)(NCc1ccc2c(c1)COC2)c1cccc(C#N)c1 ZINC000850356998 1123255634 /nfs/dbraw/zinc/25/56/34/1123255634.db2.gz VXHPAHYPLDKCJO-UHFFFAOYSA-N 0 3 292.382 3.613 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc2c(c1)CCCO2 ZINC000850473847 1123272449 /nfs/dbraw/zinc/27/24/49/1123272449.db2.gz GOVWPRWGAHLPEM-GFCCVEGCSA-N 0 3 298.411 3.796 20 30 CHEDHN Cc1ccc([C@H](C)NCC2(C#N)CCCCC2)c(O)c1 ZINC000850552105 1123290162 /nfs/dbraw/zinc/29/01/62/1123290162.db2.gz WVOIKPWSTODCNN-AWEZNQCLSA-N 0 3 272.392 3.825 20 30 CHEDHN C=CCC[C@H](NCC1SCCS1)c1ccco1 ZINC000850562721 1123292788 /nfs/dbraw/zinc/29/27/88/1123292788.db2.gz WYFNBADQCHWFOL-NSHDSACASA-N 0 3 269.435 3.683 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1ccc2ccccc2n1 ZINC000850742078 1123298435 /nfs/dbraw/zinc/29/84/35/1123298435.db2.gz UWPYVQHCCNZVQS-JJXSEGSLSA-N 0 3 290.366 3.847 20 30 CHEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000442788392 1123339279 /nfs/dbraw/zinc/33/92/79/1123339279.db2.gz FDNXSVXFGOTXPG-ZBFHGGJFSA-N 0 3 286.419 3.954 20 30 CHEDHN CCC[N@H+](CCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000851791482 1123381372 /nfs/dbraw/zinc/38/13/72/1123381372.db2.gz BRKAELFIXTVJKQ-UHFFFAOYSA-N 0 3 294.398 3.719 20 30 CHEDHN CCC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000851791482 1123381374 /nfs/dbraw/zinc/38/13/74/1123381374.db2.gz BRKAELFIXTVJKQ-UHFFFAOYSA-N 0 3 294.398 3.719 20 30 CHEDHN C[C@H]1CC[C@]2(CCN(Cc3cccc(C#N)c3F)C2)C1 ZINC000359565475 1123392746 /nfs/dbraw/zinc/39/27/46/1123392746.db2.gz UWQFGOYFVDUHLL-GUYCJALGSA-N 0 3 272.367 3.709 20 30 CHEDHN CC(=Nn1cnnc1)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000853253819 1123430131 /nfs/dbraw/zinc/43/01/31/1123430131.db2.gz FMABKNVSSZWNTD-ZDUSSCGKSA-N 0 3 270.380 3.504 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](Cn1cccn1)c1ccccc1 ZINC000925126522 1123464193 /nfs/dbraw/zinc/46/41/93/1123464193.db2.gz BKGWBMVZHAVJAR-NVXWUHKLSA-N 0 3 296.418 3.542 20 30 CHEDHN Cc1cccc2c1CCN(Cc1ccc(C#N)cc1C)C2 ZINC000776787850 1123506092 /nfs/dbraw/zinc/50/60/92/1123506092.db2.gz WBSFHSFQAGSKTM-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN CC(C)[C@@H](c1ccccc1Cl)N(C)CCOCCC#N ZINC000338997511 1123564050 /nfs/dbraw/zinc/56/40/50/1123564050.db2.gz NMELLSNEACMFKG-INIZCTEOSA-N 0 3 294.826 3.899 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000185780751 1123610825 /nfs/dbraw/zinc/61/08/25/1123610825.db2.gz WSHVNOOQFDMROM-GXTWGEPZSA-N 0 3 254.333 3.605 20 30 CHEDHN C[C@@H](NCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346091483 1123663538 /nfs/dbraw/zinc/66/35/38/1123663538.db2.gz YBTPXVQHOLRERC-GFCCVEGCSA-N 0 3 254.308 3.548 20 30 CHEDHN COc1cc([C@@H](C)NCc2ccc(C)c(C#N)c2)ccc1F ZINC000859233083 1123692201 /nfs/dbraw/zinc/69/22/01/1123692201.db2.gz DLQVOKZTNRNKBI-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN Cc1cc(Cl)cc2c1OCCC[C@@H]2NCCCC#N ZINC000346806087 1123715444 /nfs/dbraw/zinc/71/54/44/1123715444.db2.gz AUSPVVBUJHHNOD-AWEZNQCLSA-N 0 3 278.783 3.756 20 30 CHEDHN C=C[C@](C)(O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC001252568596 1123800471 /nfs/dbraw/zinc/80/04/71/1123800471.db2.gz LSISVEAESJUHEJ-ZANVPECISA-N 0 3 274.191 3.581 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000862467067 1123813367 /nfs/dbraw/zinc/81/33/67/1123813367.db2.gz NXCPPBRXSXSEGV-CYBMUJFWSA-N 0 3 294.345 3.599 20 30 CHEDHN Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1ccc([O-])cc1C#N ZINC000863722663 1123892689 /nfs/dbraw/zinc/89/26/89/1123892689.db2.gz IRLXMQUIESYLFU-GOSISDBHSA-N 0 3 278.355 3.664 20 30 CHEDHN Cc1cc(-c2ccc([O-])cc2C#N)ccc1[C@H]1CCC[NH2+]1 ZINC000863722725 1123893609 /nfs/dbraw/zinc/89/36/09/1123893609.db2.gz LAURHSUFTDJDLC-GOSISDBHSA-N 0 3 278.355 3.664 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccnc(F)c1 ZINC000866473530 1124069994 /nfs/dbraw/zinc/06/99/94/1124069994.db2.gz FSQXFAXWGCKZDA-QGZVFWFLSA-N 0 3 295.361 3.650 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccnc(F)c1 ZINC000866473529 1124070513 /nfs/dbraw/zinc/07/05/13/1124070513.db2.gz FSQXFAXWGCKZDA-KRWDZBQOSA-N 0 3 295.361 3.650 20 30 CHEDHN C=CCN(Cc1ccc(C(F)(F)F)cc1)[C@@H](C)COC ZINC000621317644 1129166994 /nfs/dbraw/zinc/16/69/94/1129166994.db2.gz PSEDNCCBUVQWPI-LBPRGKRZSA-N 0 3 287.325 3.728 20 30 CHEDHN C[C@H]1CCC[C@H](C)N(Cc2ccc(F)cc2C#N)C1 ZINC000525124780 1124115888 /nfs/dbraw/zinc/11/58/88/1124115888.db2.gz JRJSVFATDATWJU-STQMWFEESA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H](CN(C)CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000446830013 1124124507 /nfs/dbraw/zinc/12/45/07/1124124507.db2.gz NUAKMOKBWSQXRF-MRXNPFEDSA-N 0 3 281.374 3.913 20 30 CHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000193294987 1124125171 /nfs/dbraw/zinc/12/51/71/1124125171.db2.gz SITAVWXCSIHBQX-AEGPPILISA-N 0 3 288.439 3.680 20 30 CHEDHN CC(C)CN(Cc1ccc(C#N)cc1)CC1(F)CC1 ZINC000526969943 1124534618 /nfs/dbraw/zinc/53/46/18/1124534618.db2.gz BKOXEPURWQPPJT-UHFFFAOYSA-N 0 3 260.356 3.518 20 30 CHEDHN C=CCCCN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000448027651 1124559306 /nfs/dbraw/zinc/55/93/06/1124559306.db2.gz NULJQZJFXKXAOS-QGZVFWFLSA-N 0 3 270.351 3.866 20 30 CHEDHN C#C[C@H]1CC[C@H]([NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000872139145 1124694628 /nfs/dbraw/zinc/69/46/28/1124694628.db2.gz GVJFQLOZVCKLDF-DZKIICNBSA-N 0 3 257.377 3.625 20 30 CHEDHN N#Cc1ccc(/C=C/c2ccc3c(N)ccnc3c2)cc1 ZINC001239302874 1131312468 /nfs/dbraw/zinc/31/24/68/1131312468.db2.gz FRMAWTMVARJXTQ-DAFODLJHSA-N 0 3 271.323 3.859 20 30 CHEDHN C=CCCCC[C@H](C)NCc1cnc(CCC)o1 ZINC000449630174 1124825918 /nfs/dbraw/zinc/82/59/18/1124825918.db2.gz VBDLAEUCZIARKD-ZDUSSCGKSA-N 0 3 250.386 3.852 20 30 CHEDHN CC(C)CC1(C(=O)C(C#N)c2ncc(F)cc2F)CCC1 ZINC001123381374 1131313469 /nfs/dbraw/zinc/31/34/69/1131313469.db2.gz HYNXBDLRMXQDFB-GFCCVEGCSA-N 0 3 292.329 3.752 20 30 CHEDHN N#CC(C(=O)[C@H]1CCCC12CC2)c1ccc2ccccc2n1 ZINC000528915629 1124841876 /nfs/dbraw/zinc/84/18/76/1124841876.db2.gz UDMDIPPCTHQGAT-LSDHHAIUSA-N 0 3 290.366 3.991 20 30 CHEDHN C=C(Br)CN[C@H](CC)Cc1ccccc1 ZINC000125111563 1124849638 /nfs/dbraw/zinc/84/96/38/1124849638.db2.gz JGEHRPBVBTTYJI-CYBMUJFWSA-N 0 3 268.198 3.506 20 30 CHEDHN C[C@H]1CC(C(=O)C(C#N)c2ncc(F)cc2F)C[C@H](C)C1 ZINC001123477173 1131315098 /nfs/dbraw/zinc/31/50/98/1131315098.db2.gz RFBGNAIYYFJCAD-BREBYQMCSA-N 0 3 292.329 3.608 20 30 CHEDHN CC(C)(C)CCCNCc1cc(C#N)cnc1Cl ZINC000877046887 1125002557 /nfs/dbraw/zinc/00/25/57/1125002557.db2.gz RJXIJGCDLHSHGO-UHFFFAOYSA-N 0 3 265.788 3.523 20 30 CHEDHN N#CC1CCN(Cc2cccc(CC3CCC3)c2)CC1 ZINC000876652509 1124968043 /nfs/dbraw/zinc/96/80/43/1124968043.db2.gz DNXUVSAEDLBYMT-UHFFFAOYSA-N 0 3 268.404 3.765 20 30 CHEDHN CCCCCCCCNCc1ccc(Cl)nn1 ZINC000876899405 1124988628 /nfs/dbraw/zinc/98/86/28/1124988628.db2.gz XDJLXYDAFKKDCF-UHFFFAOYSA-N 0 3 255.793 3.580 20 30 CHEDHN Cc1ccc(CN[C@@H](CCC#N)c2ccccc2)c(O)c1 ZINC000877116658 1125010027 /nfs/dbraw/zinc/01/00/27/1125010027.db2.gz SQBHLQLKKWSNQJ-KRWDZBQOSA-N 0 3 280.371 3.835 20 30 CHEDHN C#C[C@H](N[C@@H](C)c1cc2cnccc2o1)C(C)(C)C ZINC000825939493 1125016397 /nfs/dbraw/zinc/01/63/97/1125016397.db2.gz BJHINQQQKKHXTI-NHYWBVRUSA-N 0 3 256.349 3.526 20 30 CHEDHN N#Cc1cnc(Cl)c(CNCC2(C3CCC3)CCC2)c1 ZINC000877577737 1125048324 /nfs/dbraw/zinc/04/83/24/1125048324.db2.gz IBRCBSWCNOJRNC-UHFFFAOYSA-N 0 3 289.810 3.667 20 30 CHEDHN C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1[O-] ZINC000877758195 1125075483 /nfs/dbraw/zinc/07/54/83/1125075483.db2.gz MEKPMPHTAOWNFX-FUJMWEONSA-N 0 3 258.365 3.515 20 30 CHEDHN CC[C@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000877927612 1125102389 /nfs/dbraw/zinc/10/23/89/1125102389.db2.gz CMKJVOCGPROCDD-HKUYNNGSSA-N 0 3 298.430 3.549 20 30 CHEDHN CC[C@@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000877927614 1125102677 /nfs/dbraw/zinc/10/26/77/1125102677.db2.gz CMKJVOCGPROCDD-IEBWSBKVSA-N 0 3 298.430 3.549 20 30 CHEDHN N#CC1CCN(C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878016450 1125113910 /nfs/dbraw/zinc/11/39/10/1125113910.db2.gz MQBMRDKUZVRZKO-ROUUACIJSA-N 0 3 284.403 3.532 20 30 CHEDHN C=CCCC[C@H](NCc1cn[nH]c1)c1ccccc1 ZINC000880390554 1125272944 /nfs/dbraw/zinc/27/29/44/1125272944.db2.gz SKUGUISBYPNFMG-INIZCTEOSA-N 0 3 255.365 3.597 20 30 CHEDHN C[C@H](C#N)CNCC(c1ccccc1)c1ccccc1 ZINC000220115166 1125358409 /nfs/dbraw/zinc/35/84/09/1125358409.db2.gz MEYPMLOSDHPRAJ-OAHLLOKOSA-N 0 3 264.372 3.568 20 30 CHEDHN CCc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000052201669 1125374650 /nfs/dbraw/zinc/37/46/50/1125374650.db2.gz PUDMQPDKJYYDOR-AWEZNQCLSA-N 0 3 264.372 3.971 20 30 CHEDHN C=CCC[C@H](Cc1ccccc1)NCc1nccs1 ZINC000883174742 1125374887 /nfs/dbraw/zinc/37/48/87/1125374887.db2.gz RHIQPAYECXVKHV-OAHLLOKOSA-N 0 3 272.417 3.810 20 30 CHEDHN CC(C)Oc1cc(Cl)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000883267686 1125389448 /nfs/dbraw/zinc/38/94/48/1125389448.db2.gz NELVJWSXPVJQJS-IUODEOHRSA-N 0 3 292.810 3.909 20 30 CHEDHN C=CCCCCCN(C)Cn1nccc1-c1cccnc1 ZINC000131397032 1125391283 /nfs/dbraw/zinc/39/12/83/1125391283.db2.gz JKWSONDELDOWDZ-UHFFFAOYSA-N 0 3 284.407 3.581 20 30 CHEDHN C=CCCC[C@H](NCc1cnc(C)n1C)c1ccccc1 ZINC000883325283 1125397006 /nfs/dbraw/zinc/39/70/06/1125397006.db2.gz WBOXFGZWODRMKZ-SFHVURJKSA-N 0 3 283.419 3.916 20 30 CHEDHN C=CCCCCCC[C@@H](O)CNCc1cc(F)ccc1F ZINC001253248446 1125420539 /nfs/dbraw/zinc/42/05/39/1125420539.db2.gz VQBGDCAZUYUWNS-MRXNPFEDSA-N 0 3 297.389 3.942 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1cccs1 ZINC000087823989 1129194495 /nfs/dbraw/zinc/19/44/95/1129194495.db2.gz BFJAFAGUBPTHOT-CQSZACIVSA-N 0 3 286.400 3.869 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccn1 ZINC000245959909 1129239455 /nfs/dbraw/zinc/23/94/55/1129239455.db2.gz XITHCBFKILDRGN-JONQDZQNSA-N 0 3 282.387 3.864 20 30 CHEDHN C#CCOc1ccccc1CN[C@H](C)c1ccc(C)cc1 ZINC000037770989 1129267635 /nfs/dbraw/zinc/26/76/35/1129267635.db2.gz OTZRQBODATUNQM-MRXNPFEDSA-N 0 3 279.383 3.858 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)c1ccccc1C)c1ccco1 ZINC000796762398 1129273990 /nfs/dbraw/zinc/27/39/90/1129273990.db2.gz UXJYEZNNRJWSKO-DLBZAZTESA-N 0 3 285.387 3.919 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)C(C)(C)C ZINC000734709798 1129318922 /nfs/dbraw/zinc/31/89/22/1129318922.db2.gz ZVBNQLCBGZOGEI-WDEREUQCSA-N 0 3 270.332 3.686 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639891133 1129339026 /nfs/dbraw/zinc/33/90/26/1129339026.db2.gz WJIMANJSTYUVDB-CQSZACIVSA-N 0 3 298.386 3.748 20 30 CHEDHN C[C@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735310027 1129340350 /nfs/dbraw/zinc/34/03/50/1129340350.db2.gz OPJNPUHCXJBPCO-ZDUSSCGKSA-N 0 3 292.810 3.864 20 30 CHEDHN C[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735310026 1129340399 /nfs/dbraw/zinc/34/03/99/1129340399.db2.gz OPJNPUHCXJBPCO-CYBMUJFWSA-N 0 3 292.810 3.864 20 30 CHEDHN C[C@@H]1CCCCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000738225843 1129390513 /nfs/dbraw/zinc/39/05/13/1129390513.db2.gz VFGWYNSAEYBCDH-OAHLLOKOSA-N 0 3 294.402 3.644 20 30 CHEDHN CC(C)CCn1cccc1CNCc1ccc(C#N)cc1 ZINC000738428010 1129394286 /nfs/dbraw/zinc/39/42/86/1129394286.db2.gz WLGPXRVEWBDRFY-UHFFFAOYSA-N 0 3 281.403 3.696 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1C ZINC000743495373 1129528639 /nfs/dbraw/zinc/52/86/39/1129528639.db2.gz DQGHQHCBMCRWOE-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN N#Cc1c(CN2CCC3(CCCC3)C2)cn2ccccc12 ZINC000743863979 1129541710 /nfs/dbraw/zinc/54/17/10/1129541710.db2.gz GCHJODOWLXOCKQ-UHFFFAOYSA-N 0 3 279.387 3.577 20 30 CHEDHN C=CCCCCN1CCCC[C@]12CC(=O)N(CCCC)C2 ZINC001276346113 1129541787 /nfs/dbraw/zinc/54/17/87/1129541787.db2.gz LYNMOARVZQXFHQ-GOSISDBHSA-N 0 3 292.467 3.600 20 30 CHEDHN CC(C)[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000303696000 1129553495 /nfs/dbraw/zinc/55/34/95/1129553495.db2.gz QSEZTHJOODFQKW-MRXNPFEDSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCN(C(=O)c1cccc(CN(C)C)c1)c1ccccc1 ZINC000647741691 1129583908 /nfs/dbraw/zinc/58/39/08/1129583908.db2.gz CRQKATFCTWGQCC-UHFFFAOYSA-N 0 3 294.398 3.581 20 30 CHEDHN C#CCN(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000746147958 1129627823 /nfs/dbraw/zinc/62/78/23/1129627823.db2.gz QUZOUUNEBSQJIH-UHFFFAOYSA-N 0 3 255.283 3.549 20 30 CHEDHN C=C(CC)CNCc1cc2cc(Cl)cnc2o1 ZINC000648840303 1129628009 /nfs/dbraw/zinc/62/80/09/1129628009.db2.gz WCOYEHARLISZPK-UHFFFAOYSA-N 0 3 250.729 3.537 20 30 CHEDHN C=C(C)[C@H](CO)N1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000649382854 1129643156 /nfs/dbraw/zinc/64/31/56/1129643156.db2.gz XFTQPDUNSDYXGW-SFHVURJKSA-N 0 3 296.414 3.502 20 30 CHEDHN CC[C@H](CC#N)N[C@H](Cc1ccccc1)CC(C)C ZINC001169061325 1129694284 /nfs/dbraw/zinc/69/42/84/1129694284.db2.gz KFZKTQMFTHDYSB-SJORKVTESA-N 0 3 258.409 3.926 20 30 CHEDHN CC(C)C[C@H](Cc1ccccc1)NCC1(C#N)CC1 ZINC001169061975 1129694475 /nfs/dbraw/zinc/69/44/75/1129694475.db2.gz PLURZWHVPVHMHD-MRXNPFEDSA-N 0 3 256.393 3.537 20 30 CHEDHN CC(C)C[C@H](Cc1ccccc1)N1CCC[C@H](C#N)C1 ZINC001169078160 1129697511 /nfs/dbraw/zinc/69/75/11/1129697511.db2.gz MHSXMQLVBWLOFH-QZTJIDSGSA-N 0 3 270.420 3.879 20 30 CHEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2c(F)cncc2F)C1 ZINC000651806599 1129748970 /nfs/dbraw/zinc/74/89/70/1129748970.db2.gz QBKXQYJRYYTGTC-TUAOUCFPSA-N 0 3 266.335 3.755 20 30 CHEDHN C=CCN(CCOC)CCc1cccc(Cl)c1Cl ZINC001169901269 1129763674 /nfs/dbraw/zinc/76/36/74/1129763674.db2.gz RFMQYXADCZUVBY-UHFFFAOYSA-N 0 3 288.218 3.670 20 30 CHEDHN C#CCCCN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000766922182 1129769514 /nfs/dbraw/zinc/76/95/14/1129769514.db2.gz KDLKKOWAJVIOBU-QGZVFWFLSA-N 0 3 284.790 3.827 20 30 CHEDHN C#CCCCN(Cc1csc(Br)c1)C1CC1 ZINC000766934254 1129770090 /nfs/dbraw/zinc/77/00/90/1129770090.db2.gz FDTAZVUZJHBRHC-UHFFFAOYSA-N 0 3 298.249 3.888 20 30 CHEDHN CC(C)CN(Cc1ccoc1)Cc1ccc(C#N)cc1 ZINC000768662061 1129867668 /nfs/dbraw/zinc/86/76/68/1129867668.db2.gz OOXRKPYKIXMVEH-UHFFFAOYSA-N 0 3 268.360 3.809 20 30 CHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cc(C)ccc1O ZINC000768937238 1129882505 /nfs/dbraw/zinc/88/25/05/1129882505.db2.gz MFUQRBWVIBRZPC-UHFFFAOYSA-N 0 3 297.398 3.897 20 30 CHEDHN CCCCCCCCCN(C)Cc1cnc(N)s1 ZINC000768993614 1129885743 /nfs/dbraw/zinc/88/57/43/1129885743.db2.gz WYGRBMUHRLVCLC-UHFFFAOYSA-N 0 3 269.458 3.908 20 30 CHEDHN C#CCN(CCCCC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000769706079 1129921663 /nfs/dbraw/zinc/92/16/63/1129921663.db2.gz QQAJSZWMFAMXKG-UHFFFAOYSA-N 0 3 286.394 3.981 20 30 CHEDHN CCCC[N@H+](CCC(C)(C)C#N)Cc1ccccc1[O-] ZINC000801595708 1129931197 /nfs/dbraw/zinc/93/11/97/1129931197.db2.gz QVLWILQYZGXHRK-UHFFFAOYSA-N 0 3 274.408 3.934 20 30 CHEDHN CCCC[N@@H+](CCC(C)(C)C#N)Cc1ccccc1[O-] ZINC000801595708 1129931200 /nfs/dbraw/zinc/93/12/00/1129931200.db2.gz QVLWILQYZGXHRK-UHFFFAOYSA-N 0 3 274.408 3.934 20 30 CHEDHN CCCN(CCC)c1ccc(C=NN[C@H](C)CC#N)cc1 ZINC000771881309 1129992613 /nfs/dbraw/zinc/99/26/13/1129992613.db2.gz RNGMJWSWNZYDAF-OAHLLOKOSA-N 0 3 286.423 3.539 20 30 CHEDHN C[C@@H]1CC(=O)C=C(c2ccc(C3=NCCC3)cc2)C1 ZINC001242739494 1129993024 /nfs/dbraw/zinc/99/30/24/1129993024.db2.gz NPEONJWZLBODIY-LBPRGKRZSA-N 0 3 253.345 3.652 20 30 CHEDHN C=CCN(Cc1cc(=O)oc2cc(C)c(C)cc12)C1CC1 ZINC000772379723 1130020836 /nfs/dbraw/zinc/02/08/36/1130020836.db2.gz ANALFRFXIHMQJJ-UHFFFAOYSA-N 0 3 283.371 3.560 20 30 CHEDHN C=CCC[C@H](NCc1csc(C)n1)[C@@]1(C)CCCCO1 ZINC000902756848 1130053009 /nfs/dbraw/zinc/05/30/09/1130053009.db2.gz MTQRFRAPTRMSFR-JKSUJKDBSA-N 0 3 294.464 3.835 20 30 CHEDHN c1ccc2c(c1)NCCCC2=NNC1CCCCC1 ZINC000786043655 1130076904 /nfs/dbraw/zinc/07/69/04/1130076904.db2.gz QRYCRZNLYOTJGD-UHFFFAOYSA-N 0 3 257.381 3.519 20 30 CHEDHN C=CCC[C@H](NCc1ncccc1F)[C@]1(C)CCCCO1 ZINC000902885424 1130079557 /nfs/dbraw/zinc/07/95/57/1130079557.db2.gz ADQBTCVAVPNKOG-IRXDYDNUSA-N 0 3 292.398 3.604 20 30 CHEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902890306 1130080534 /nfs/dbraw/zinc/08/05/34/1130080534.db2.gz ZMTRYXLZKIGSGA-NJSLBKSFSA-N 0 3 291.398 3.927 20 30 CHEDHN CC[C@@H](NCc1cnccc1C)c1cccc(C#N)c1 ZINC000903007681 1130099944 /nfs/dbraw/zinc/09/99/44/1130099944.db2.gz FIHGAYBYAGXNNC-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN C=CCC[C@@H](Cc1ccccc1)NCC(C)(C)C#N ZINC000903102072 1130112561 /nfs/dbraw/zinc/11/25/61/1130112561.db2.gz RLUIZLWZIHNITE-INIZCTEOSA-N 0 3 256.393 3.703 20 30 CHEDHN CC[C@H](NCC1(C#N)CCCC1)c1ccc(C)cc1O ZINC000903108693 1130114325 /nfs/dbraw/zinc/11/43/25/1130114325.db2.gz FXLKELCOUAAYQW-HNNXBMFYSA-N 0 3 272.392 3.825 20 30 CHEDHN C[C@H]1C[C@@H](NCC2(C#N)CCCC2)c2c1c(F)ccc2O ZINC000903108833 1130114359 /nfs/dbraw/zinc/11/43/59/1130114359.db2.gz HPBWSCARJNHVLF-WCQYABFASA-N 0 3 288.366 3.753 20 30 CHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000787029978 1130126844 /nfs/dbraw/zinc/12/68/44/1130126844.db2.gz ZKXHKMDKDGLVNO-ZBEGNZNMSA-N 0 3 297.789 3.945 20 30 CHEDHN C#Cc1ccc(CN2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000787770229 1130163433 /nfs/dbraw/zinc/16/34/33/1130163433.db2.gz DCVLHYPBDSNZFX-IBGZPJMESA-N 0 3 276.383 3.708 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCSC2)c([O-])c1 ZINC000749008269 1130258268 /nfs/dbraw/zinc/25/82/68/1130258268.db2.gz UBAQXSZHPPUVJT-SWEABUAFSA-N 0 3 292.448 3.553 20 30 CHEDHN C=C[C@H](COC)N[C@@H](C)c1ccc2ccccc2c1 ZINC001255018483 1130362997 /nfs/dbraw/zinc/36/29/97/1130362997.db2.gz GBNPTYVBTKLBBI-SUMWQHHRSA-N 0 3 255.361 3.691 20 30 CHEDHN N#CC(C(=O)C=Cc1ccco1)c1nccc2ccccc21 ZINC000792098889 1130431400 /nfs/dbraw/zinc/43/14/00/1130431400.db2.gz FONINPIOPRDPQI-WAVCKPEOSA-N 0 3 288.306 3.717 20 30 CHEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000678765223 1130450885 /nfs/dbraw/zinc/45/08/85/1130450885.db2.gz GZIQVISQYOYAOE-CJNGLKHVSA-N 0 3 279.449 3.775 20 30 CHEDHN CC1(C)COCCN1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389632 1130488352 /nfs/dbraw/zinc/48/83/52/1130488352.db2.gz WSQNHEAGEGMMAI-UHFFFAOYSA-N 0 3 298.430 3.501 20 30 CHEDHN CN(Cc1ccno1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170398669 1130489867 /nfs/dbraw/zinc/48/98/67/1130489867.db2.gz SPOWOXIREBQRTL-UHFFFAOYSA-N 0 3 295.386 3.511 20 30 CHEDHN C=CCOCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000679486527 1130532763 /nfs/dbraw/zinc/53/27/63/1130532763.db2.gz PUEBUOADLYMAPJ-UHFFFAOYSA-N 0 3 293.313 3.517 20 30 CHEDHN C=CCOCCN[C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000679576177 1130541290 /nfs/dbraw/zinc/54/12/90/1130541290.db2.gz KDGRCBCLQNJIAA-AWEZNQCLSA-N 0 3 273.376 3.903 20 30 CHEDHN C#CCOc1ccc(CNCc2ccc(Cl)c(C)c2)cc1 ZINC000758016071 1130593427 /nfs/dbraw/zinc/59/34/27/1130593427.db2.gz JHONPCQQJUJZME-UHFFFAOYSA-N 0 3 299.801 3.950 20 30 CHEDHN C#CCN(Cc1ccc(SC)s1)C1CCCC1 ZINC000811464942 1130612124 /nfs/dbraw/zinc/61/21/24/1130612124.db2.gz FCNVXJVKYKZHDZ-UHFFFAOYSA-N 0 3 265.447 3.848 20 30 CHEDHN C#C[C@H](N[C@@H](C)CC1(OC)CCC1)c1ccc(Cl)cc1 ZINC000811516695 1130615177 /nfs/dbraw/zinc/61/51/77/1130615177.db2.gz TWNZZYOGHXGXFX-BBRMVZONSA-N 0 3 291.822 3.952 20 30 CHEDHN C#C[C@@H](NCc1cscc1C(F)(F)F)C(C)C ZINC000811505947 1130617772 /nfs/dbraw/zinc/61/77/72/1130617772.db2.gz USFQPUBXYLRYJW-LLVKDONJSA-N 0 3 261.312 3.514 20 30 CHEDHN C=C[C@H](C#CC(C)(C)C)Oc1cccc2c1CCN(C)C2 ZINC001234425008 1130642558 /nfs/dbraw/zinc/64/25/58/1130642558.db2.gz UPYIKKCYQRLUQE-MRXNPFEDSA-N 0 3 283.415 3.657 20 30 CHEDHN C#CCCCCCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000780725839 1130689188 /nfs/dbraw/zinc/68/91/88/1130689188.db2.gz UDNMKCALZZNSFU-UHFFFAOYSA-N 0 3 286.419 3.579 20 30 CHEDHN C#C[C@H](N[C@H](C)CCc1ccco1)c1ccc(F)cc1 ZINC000812793442 1130717444 /nfs/dbraw/zinc/71/74/44/1130717444.db2.gz UKABILRJXYKFDZ-DYVFJYSZSA-N 0 3 271.335 3.704 20 30 CHEDHN CCCCCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001170689949 1130723708 /nfs/dbraw/zinc/72/37/08/1130723708.db2.gz CYQRSUCUHKJACQ-QZTJIDSGSA-N 0 3 293.426 3.757 20 30 CHEDHN CN(C/C=C/c1ccccc1)Cc1ccccc1CC#N ZINC001235524911 1130750432 /nfs/dbraw/zinc/75/04/32/1130750432.db2.gz CHMLDFCTJIUJND-JXMROGBWSA-N 0 3 276.383 3.898 20 30 CHEDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c([O-])c1 ZINC001235686081 1130767029 /nfs/dbraw/zinc/76/70/29/1130767029.db2.gz XIAHVIRYSHUCGF-CQSZACIVSA-N 0 3 286.419 3.815 20 30 CHEDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c([O-])c1 ZINC001235686081 1130767032 /nfs/dbraw/zinc/76/70/32/1130767032.db2.gz XIAHVIRYSHUCGF-CQSZACIVSA-N 0 3 286.419 3.815 20 30 CHEDHN CC(C)CN(CCC#N)C[C@@H](C)c1ccc(F)cc1 ZINC000783506093 1130830434 /nfs/dbraw/zinc/83/04/34/1130830434.db2.gz BKJFSSLAAMFPHC-CQSZACIVSA-N 0 3 262.372 3.801 20 30 CHEDHN N#Cc1cc(-c2cccc(CN3CCCCC3)c2F)ccn1 ZINC001236011755 1130832366 /nfs/dbraw/zinc/83/23/66/1130832366.db2.gz JXRXSLWOTQXTCL-UHFFFAOYSA-N 0 3 295.361 3.745 20 30 CHEDHN C[C@H](NN=C1CC[C@@H]2CNc3cccc1c32)C(C)(C)C ZINC000814938691 1130939934 /nfs/dbraw/zinc/93/99/34/1130939934.db2.gz RWPCPTYVGMYKPZ-NWDGAFQWSA-N 0 3 271.408 3.718 20 30 CHEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2occc21 ZINC001236737069 1131002774 /nfs/dbraw/zinc/00/27/74/1131002774.db2.gz BSCBKXPXWSNAMT-UHFFFAOYSA-N 0 3 276.339 3.936 20 30 CHEDHN C=C(C)C[N@@H+](CC)Cc1cc2ccccc2cc1[O-] ZINC001236831083 1131017386 /nfs/dbraw/zinc/01/73/86/1131017386.db2.gz FBNHSILAULSODF-UHFFFAOYSA-N 0 3 255.361 3.943 20 30 CHEDHN C=C(C)C[N@H+](CC)Cc1cc2ccccc2cc1[O-] ZINC001236831083 1131017389 /nfs/dbraw/zinc/01/73/89/1131017389.db2.gz FBNHSILAULSODF-UHFFFAOYSA-N 0 3 255.361 3.943 20 30 CHEDHN N#C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236833725 1131018950 /nfs/dbraw/zinc/01/89/50/1131018950.db2.gz PWWRGBBPSPUOJQ-CQSZACIVSA-N 0 3 280.371 3.671 20 30 CHEDHN N#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236833725 1131018955 /nfs/dbraw/zinc/01/89/55/1131018955.db2.gz PWWRGBBPSPUOJQ-CQSZACIVSA-N 0 3 280.371 3.671 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccc(F)c3ccoc32)C1 ZINC001236907285 1131031266 /nfs/dbraw/zinc/03/12/66/1131031266.db2.gz XNPFIIACCILZIN-LBPRGKRZSA-N 0 3 272.323 3.698 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)C(C)(F)F ZINC000815899721 1131031900 /nfs/dbraw/zinc/03/19/00/1131031900.db2.gz ZXWRIHCIKRSHLE-BDAKNGLRSA-N 0 3 294.326 3.764 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236989165 1131033075 /nfs/dbraw/zinc/03/30/75/1131033075.db2.gz AEBBNSWBEIKSTA-HNNXBMFYSA-N 0 3 294.373 3.733 20 30 CHEDHN CC(C)c1ccc(C[NH+]2CCC(CC#N)CC2)c([O-])c1 ZINC001237052476 1131043695 /nfs/dbraw/zinc/04/36/95/1131043695.db2.gz AMWJBOGHJXXCHE-UHFFFAOYSA-N 0 3 272.392 3.641 20 30 CHEDHN CCCCCCC[N@H+](C)Cc1cc([O-])cc(F)c1 ZINC001237279927 1131076285 /nfs/dbraw/zinc/07/62/85/1131076285.db2.gz WSAQYDDYGRDWIP-UHFFFAOYSA-N 0 3 253.361 3.934 20 30 CHEDHN CCCCCCC[N@@H+](C)Cc1cc([O-])cc(F)c1 ZINC001237279927 1131076291 /nfs/dbraw/zinc/07/62/91/1131076291.db2.gz WSAQYDDYGRDWIP-UHFFFAOYSA-N 0 3 253.361 3.934 20 30 CHEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)ccc1OC(C)C ZINC001237710562 1131132570 /nfs/dbraw/zinc/13/25/70/1131132570.db2.gz DNQYSGSKCSFNFZ-INIZCTEOSA-N 0 3 286.419 3.908 20 30 CHEDHN C#Cc1cccc(CNCc2cccc(C3CC3)c2)c1 ZINC000817409212 1131159015 /nfs/dbraw/zinc/15/90/15/1131159015.db2.gz DKZKWUHWQVMWAD-UHFFFAOYSA-N 0 3 261.368 3.835 20 30 CHEDHN C=CC[N@@H+](Cc1cc(F)cc(C)c1[O-])C(C)(C)C ZINC001238066107 1131166413 /nfs/dbraw/zinc/16/64/13/1131166413.db2.gz HZXZICHXPYSUBK-UHFFFAOYSA-N 0 3 251.345 3.626 20 30 CHEDHN C=CC[N@H+](Cc1cc(F)cc(C)c1[O-])C(C)(C)C ZINC001238066107 1131166415 /nfs/dbraw/zinc/16/64/15/1131166415.db2.gz HZXZICHXPYSUBK-UHFFFAOYSA-N 0 3 251.345 3.626 20 30 CHEDHN C#CC1CCN(Cc2cccc(-c3cccs3)n2)CC1 ZINC001238216664 1131181804 /nfs/dbraw/zinc/18/18/04/1131181804.db2.gz ORDKRJZXFDGCTD-UHFFFAOYSA-N 0 3 282.412 3.655 20 30 CHEDHN C=CCN(Cc1cnc(F)c(OC)c1)C1CCCCC1 ZINC001238463203 1131204058 /nfs/dbraw/zinc/20/40/58/1131204058.db2.gz PXVRGSKPXJKPIN-UHFFFAOYSA-N 0 3 278.371 3.550 20 30 CHEDHN C=CCN(Cc1cncc(OC(C)C)c1)C(C)(C)C ZINC001238466302 1131204607 /nfs/dbraw/zinc/20/46/07/1131204607.db2.gz VFUGUVUBKHJINF-UHFFFAOYSA-N 0 3 262.397 3.655 20 30 CHEDHN Cc1cc(OC(C)C)cc(C)c1CN1CCC(C#N)CC1 ZINC001238666980 1131228055 /nfs/dbraw/zinc/22/80/55/1131228055.db2.gz LXWPSHWAUAYHHV-UHFFFAOYSA-N 0 3 286.419 3.826 20 30 CHEDHN C#C[C@@H](C)N(C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000829283543 1131416936 /nfs/dbraw/zinc/41/69/36/1131416936.db2.gz RPVRDXQIIOOLQN-NEPJUHHUSA-N 0 3 269.310 3.806 20 30 CHEDHN Cc1csc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000824751277 1131484165 /nfs/dbraw/zinc/48/41/65/1131484165.db2.gz SZOJJGCEWPSWPH-ZDUSSCGKSA-N 0 3 286.400 3.637 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1ncccc1OC ZINC000825249469 1131504473 /nfs/dbraw/zinc/50/44/73/1131504473.db2.gz IJZCTPKQIIWCMR-CQSZACIVSA-N 0 3 262.397 3.705 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC001138627853 1131528818 /nfs/dbraw/zinc/52/88/18/1131528818.db2.gz HCDCCBSLLDKBOC-WMLDXEAASA-N 0 3 271.404 3.885 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC001138627853 1131528821 /nfs/dbraw/zinc/52/88/21/1131528821.db2.gz HCDCCBSLLDKBOC-WMLDXEAASA-N 0 3 271.404 3.885 20 30 CHEDHN CCCCCCCCN(C)Cc1cccnc1NC ZINC001138692353 1131538619 /nfs/dbraw/zinc/53/86/19/1131538619.db2.gz HOOYKNFEJKTUOV-UHFFFAOYSA-N 0 3 263.429 3.916 20 30 CHEDHN CCCCCCCN(CC)Cc1cnc(SC)nc1 ZINC001138705367 1131539571 /nfs/dbraw/zinc/53/95/71/1131539571.db2.gz NJSMHRHCSDYIMW-UHFFFAOYSA-N 0 3 281.469 3.991 20 30 CHEDHN CCCCOc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC001138953983 1131563482 /nfs/dbraw/zinc/56/34/82/1131563482.db2.gz OGTKHHNVBQPNFV-MRXNPFEDSA-N 0 3 286.419 3.991 20 30 CHEDHN C=CCOc1ccccc1CN1CCC2(CC(F)C2)CC1 ZINC001139028946 1131573967 /nfs/dbraw/zinc/57/39/67/1131573967.db2.gz KBXYSVSDAKOQIG-UHFFFAOYSA-N 0 3 289.394 3.966 20 30 CHEDHN C=CCOc1ccccc1CN1CC[C@H]2CCC[C@H]2C1 ZINC001139029161 1131575086 /nfs/dbraw/zinc/57/50/86/1131575086.db2.gz QBLZGPSGZIFIOM-CVEARBPZSA-N 0 3 271.404 3.873 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2ccn(C)c2c1 ZINC001139205585 1131595725 /nfs/dbraw/zinc/59/57/25/1131595725.db2.gz NHIJNJUHJKLUAD-UHFFFAOYSA-N 0 3 289.382 3.682 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139519145 1131612701 /nfs/dbraw/zinc/61/27/01/1131612701.db2.gz NJIHDWPDJWZEMO-MRXNPFEDSA-N 0 3 291.398 3.874 20 30 CHEDHN CCOc1ccc(CN2CCC[C@@H](C#N)CC2)cc1CC ZINC001139624233 1131624283 /nfs/dbraw/zinc/62/42/83/1131624283.db2.gz VYGMDVUFSVKNBK-OAHLLOKOSA-N 0 3 286.419 3.773 20 30 CHEDHN CCC1(CN(CCC#N)C2CCCCCCC2)COC1 ZINC001202958574 1131628232 /nfs/dbraw/zinc/62/82/32/1131628232.db2.gz RLSYTFDDCYCHCE-UHFFFAOYSA-N 0 3 278.440 3.742 20 30 CHEDHN N#CCc1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC001202964267 1131632139 /nfs/dbraw/zinc/63/21/39/1131632139.db2.gz KHPSBDYCFMEDHM-UHFFFAOYSA-N 0 3 288.753 3.835 20 30 CHEDHN Cc1nc([C@@H](C)N[C@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171181359 1131633656 /nfs/dbraw/zinc/63/36/56/1131633656.db2.gz KCHKEKUFUCKCBG-VXGBXAGGSA-N 0 3 285.416 3.605 20 30 CHEDHN Cc1nc([C@@H](C)N[C@@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171181356 1131633735 /nfs/dbraw/zinc/63/37/35/1131633735.db2.gz KCHKEKUFUCKCBG-NWDGAFQWSA-N 0 3 285.416 3.605 20 30 CHEDHN C=CCn1cc(CN(CCCC)Cc2ccccc2)cn1 ZINC001139770073 1131635802 /nfs/dbraw/zinc/63/58/02/1131635802.db2.gz BSZYNRIRJKTKQX-UHFFFAOYSA-N 0 3 283.419 3.871 20 30 CHEDHN C=CCn1cc(CN(C)[C@H](CC)c2ccccc2)cn1 ZINC001139772871 1131636423 /nfs/dbraw/zinc/63/64/23/1131636423.db2.gz RPGKVTVRVLWJNN-QGZVFWFLSA-N 0 3 269.392 3.652 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(Cc1cccc3cc[nH]c31)C2 ZINC001144711392 1131686954 /nfs/dbraw/zinc/68/69/54/1131686954.db2.gz XHYODWPIZMLLAJ-UHFFFAOYSA-N 0 3 287.366 3.598 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(C(F)(F)F)CC1 ZINC001171210333 1131686969 /nfs/dbraw/zinc/68/69/69/1131686969.db2.gz SLZSVBNHNRIEFB-GFCCVEGCSA-N 0 3 296.336 3.764 20 30 CHEDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(C#N)c1 ZINC000834612463 1131687702 /nfs/dbraw/zinc/68/77/02/1131687702.db2.gz TYJMRSKRHUPJDN-BLLLJJGKSA-N 0 3 278.355 3.602 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834787009 1131705185 /nfs/dbraw/zinc/70/51/85/1131705185.db2.gz GBPFJEZJTSOPJY-SJORKVTESA-N 0 3 290.366 3.528 20 30 CHEDHN C#CCOc1ccc(CN[C@H](c2cccnc2)C(C)C)cc1 ZINC000834887986 1131719636 /nfs/dbraw/zinc/71/96/36/1131719636.db2.gz BGOMDKGIJGGWAR-IBGZPJMESA-N 0 3 294.398 3.581 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCc3c2ccc(OC)c3F)c1 ZINC000834901621 1131725116 /nfs/dbraw/zinc/72/51/16/1131725116.db2.gz AGZZWUPXQWAYAP-QGZVFWFLSA-N 0 3 295.357 3.593 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2sc(CC)nc2C)c1 ZINC000834902124 1131725744 /nfs/dbraw/zinc/72/57/44/1131725744.db2.gz FIWHJBFQUXXHBK-GFCCVEGCSA-N 0 3 284.428 3.846 20 30 CHEDHN C=CCN(CC=C)Cc1c[nH]c2cccc(Cl)c12 ZINC001140436890 1131736572 /nfs/dbraw/zinc/73/65/72/1131736572.db2.gz UNVCWVQETYDNSR-UHFFFAOYSA-N 0 3 260.768 3.995 20 30 CHEDHN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077686 1131769401 /nfs/dbraw/zinc/76/94/01/1131769401.db2.gz VSWICFMOZHRSAQ-FRRDWIJNSA-N 0 3 282.343 3.830 20 30 CHEDHN CC(C)CN(Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140540335 1131785055 /nfs/dbraw/zinc/78/50/55/1131785055.db2.gz RXGRPZMBNCYGAJ-UHFFFAOYSA-N 0 3 279.387 3.611 20 30 CHEDHN CCCCCCCCCC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC001147112377 1131810103 /nfs/dbraw/zinc/81/01/03/1131810103.db2.gz VKNVLXCGQQHDBH-MRXNPFEDSA-N 0 3 282.472 3.680 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CCc3ccccc3CC2)c1 ZINC001140601531 1131823065 /nfs/dbraw/zinc/82/30/65/1131823065.db2.gz RXTZWJQQGRDJMH-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN C[C@H](CC(C)(C)S)Oc1ccc2c(c1)CCN(C)C2 ZINC001228944539 1131983362 /nfs/dbraw/zinc/98/33/62/1131983362.db2.gz OMYAMSLODDCGIS-GFCCVEGCSA-N 0 3 279.449 3.540 20 30 CHEDHN C=CCOc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 ZINC000037150716 1132001109 /nfs/dbraw/zinc/00/11/09/1132001109.db2.gz GFKCWFUBWCCFGX-CQSZACIVSA-N 0 3 283.371 3.808 20 30 CHEDHN C[C@@H]1CCCCCN1Cc1sc(N)c(C#N)c1Cl ZINC001141112221 1132020981 /nfs/dbraw/zinc/02/09/81/1132020981.db2.gz UJQLQCOKIMICJH-SECBINFHSA-N 0 3 283.828 3.620 20 30 CHEDHN CN1CC[C@@H](Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229375254 1132059025 /nfs/dbraw/zinc/05/90/25/1132059025.db2.gz ZTTKWLAYJHMDKJ-QGZVFWFLSA-N 0 3 298.361 3.659 20 30 CHEDHN Cc1nc([C@H](C)N[C@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172295177 1132165683 /nfs/dbraw/zinc/16/56/83/1132165683.db2.gz PUCOYWQMSQXDFW-NEPJUHHUSA-N 0 3 285.416 3.605 20 30 CHEDHN CCCCCCC[C@H](CC)N[C@H](C(N)=O)c1ccccc1 ZINC001172347470 1132180791 /nfs/dbraw/zinc/18/07/91/1132180791.db2.gz VQRCBNNQSBSSCA-IRXDYDNUSA-N 0 3 290.451 3.942 20 30 CHEDHN CCCCCCC[C@H](CC)N1CCc2c(cnn2C)C1 ZINC001172362354 1132189029 /nfs/dbraw/zinc/18/90/29/1132189029.db2.gz WPRQFESRGDUELK-INIZCTEOSA-N 0 3 277.456 3.917 20 30 CHEDHN CC(C)COCC[C@H](C)N(CCC#N)C1CCCC1 ZINC001172472651 1132226074 /nfs/dbraw/zinc/22/60/74/1132226074.db2.gz ZPIUUKYQEIDIAR-HNNXBMFYSA-N 0 3 266.429 3.596 20 30 CHEDHN C[C@@]1(C#N)CCN([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172566929 1132272967 /nfs/dbraw/zinc/27/29/67/1132272967.db2.gz ALMPDEGMZGEOPV-ZACQAIPSSA-N 0 3 254.377 3.558 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)cc2)c(C)c1 ZINC000840714273 1132275894 /nfs/dbraw/zinc/27/58/94/1132275894.db2.gz SUWURKJFVAEUQP-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C[C@@]1(C#N)CCN([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172545439 1132279738 /nfs/dbraw/zinc/27/97/38/1132279738.db2.gz ABKHXRSYYNYWGX-SQNIBIBYSA-N 0 3 268.404 3.948 20 30 CHEDHN C=CCOc1cccc(CN2CCC[C@@H](C(F)F)C2)c1 ZINC001231625648 1132328488 /nfs/dbraw/zinc/32/84/88/1132328488.db2.gz YTDBLTXHSCBARX-CQSZACIVSA-N 0 3 281.346 3.729 20 30 CHEDHN C=CCOc1cccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001231625064 1132328856 /nfs/dbraw/zinc/32/88/56/1132328856.db2.gz KUAHVSPNGBRAHA-OSYLJGHBSA-N 0 3 282.387 3.518 20 30 CHEDHN C[C@H](Cc1c(F)cccc1Cl)NCc1ccc(C#N)o1 ZINC001172853308 1132340823 /nfs/dbraw/zinc/34/08/23/1132340823.db2.gz ZITGIBRHUREPOQ-SNVBAGLBSA-N 0 3 292.741 3.665 20 30 CHEDHN Cc1nc2ccc(Nc3ccc(C)c(C#N)c3)cc2[nH]1 ZINC001213074482 1132373160 /nfs/dbraw/zinc/37/31/60/1132373160.db2.gz WQHZKOISROFJNK-UHFFFAOYSA-N 0 3 262.316 3.795 20 30 CHEDHN COc1ccccc1CON=Cc1ccc(N(C)C)cc1C ZINC000841636310 1132378950 /nfs/dbraw/zinc/37/89/50/1132378950.db2.gz KBSGCCYCOQRVSY-UHFFFAOYSA-N 0 3 298.386 3.620 20 30 CHEDHN Cc1nc(F)ccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000841893289 1132401908 /nfs/dbraw/zinc/40/19/08/1132401908.db2.gz CRHGTHXQQCYOJE-KRWDZBQOSA-N 0 3 295.361 3.568 20 30 CHEDHN C=C[C@@H](N[C@H]1COc2cccc(OC)c2C1)c1ccccc1 ZINC001173161810 1132406656 /nfs/dbraw/zinc/40/66/56/1132406656.db2.gz SCPQJPVTASSTJA-NVXWUHKLSA-N 0 3 295.382 3.516 20 30 CHEDHN C=CCN(Cc1cc2c[nH]ccc-2n1)Cc1ccccc1 ZINC001232016004 1132411072 /nfs/dbraw/zinc/41/10/72/1132411072.db2.gz QENIVUJSLQEIGX-UHFFFAOYSA-N 0 3 277.371 3.751 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C#N)c(Cl)c1 ZINC001232109958 1132424197 /nfs/dbraw/zinc/42/41/97/1132424197.db2.gz IMKWUIXHSNXBML-VXGBXAGGSA-N 0 3 262.784 3.975 20 30 CHEDHN CCc1ccc(C[C@H](C)NCC2(C#N)CCCC2)cc1 ZINC001173240186 1132441443 /nfs/dbraw/zinc/44/14/43/1132441443.db2.gz WQACSMKZJZOJCR-HNNXBMFYSA-N 0 3 270.420 3.854 20 30 CHEDHN C=CCOC1CCC(N(C)Cc2cccc(F)c2F)CC1 ZINC001173323439 1132460791 /nfs/dbraw/zinc/46/07/91/1132460791.db2.gz YLOIYMMGFRQHQL-UHFFFAOYSA-N 0 3 295.373 3.910 20 30 CHEDHN COc1ccc(F)c(F)c1CNC1CCC(CC#N)CC1 ZINC001173329094 1132462569 /nfs/dbraw/zinc/46/25/69/1132462569.db2.gz AHLPMGXTHADAGS-UHFFFAOYSA-N 0 3 294.345 3.535 20 30 CHEDHN N#CCC1CCC(NCc2cc(-c3ccccc3)on2)CC1 ZINC001173329394 1132462714 /nfs/dbraw/zinc/46/27/14/1132462714.db2.gz GZYXVQUSXLSTDS-UHFFFAOYSA-N 0 3 295.386 3.904 20 30 CHEDHN N#Cc1cnc(CN[C@H]2CCCC3(CCCCC3)C2)s1 ZINC001173342155 1132469080 /nfs/dbraw/zinc/46/90/80/1132469080.db2.gz VRMBXFXGACGBOP-ZDUSSCGKSA-N 0 3 289.448 3.997 20 30 CHEDHN C#Cc1cccc(CN[C@H](CC(C)C)c2ccncc2)c1 ZINC000842875768 1132473324 /nfs/dbraw/zinc/47/33/24/1132473324.db2.gz OUFJHXZNDSSNMX-LJQANCHMSA-N 0 3 278.399 3.940 20 30 CHEDHN C[C@@H]1CN(Cc2c[nH]c3cc(C#N)ccc23)CCC1(F)F ZINC001142911816 1132476073 /nfs/dbraw/zinc/47/60/73/1132476073.db2.gz KSMQKCJOWFHQAH-LLVKDONJSA-N 0 3 289.329 3.517 20 30 CHEDHN C=CCN(Cc1cc(F)cnc1C)C1CCCCC1 ZINC001232992355 1132558396 /nfs/dbraw/zinc/55/83/96/1132558396.db2.gz JMBVDOVSNYYCHS-UHFFFAOYSA-N 0 3 262.372 3.850 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC2(CC(F)(F)C2)CC1 ZINC001233080596 1132568865 /nfs/dbraw/zinc/56/88/65/1132568865.db2.gz PGGTWAHBFTXEBB-UHFFFAOYSA-N 0 3 290.357 3.878 20 30 CHEDHN C=CCCN(Cc1cnn2ccccc12)Cc1ccccc1 ZINC001233236718 1132586639 /nfs/dbraw/zinc/58/66/39/1132586639.db2.gz AKPJRPYMFRIISQ-UHFFFAOYSA-N 0 3 291.398 3.913 20 30 CHEDHN Cc1ccc(Cl)cc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001233250213 1132589281 /nfs/dbraw/zinc/58/92/81/1132589281.db2.gz AKQOLBAFGJRUFB-DVSIDAKKSA-N 0 3 274.795 3.915 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc2c1CCO2 ZINC001233277325 1132592695 /nfs/dbraw/zinc/59/26/95/1132592695.db2.gz XHRBBKHJNPLXSI-UHFFFAOYSA-N 0 3 279.383 3.810 20 30 CHEDHN CN(Cc1cc2cccnc2s1)Cc1cccc(C#N)c1 ZINC001233349212 1132608779 /nfs/dbraw/zinc/60/87/79/1132608779.db2.gz IXRXSJXXBUUZOK-UHFFFAOYSA-N 0 3 293.395 3.800 20 30 CHEDHN Cc1oc(Nc2ccccc2CN(C)C)c(C#N)c1C ZINC001173929073 1132642474 /nfs/dbraw/zinc/64/24/74/1132642474.db2.gz KMENUHSRTXTPJL-UHFFFAOYSA-N 0 3 269.348 3.573 20 30 CHEDHN C=C(C)CNc1nc(N2CCCC2)cc2ccccc21 ZINC001155661954 1132663494 /nfs/dbraw/zinc/66/34/94/1132663494.db2.gz MRJFPIAEMNCSOA-UHFFFAOYSA-N 0 3 267.376 3.823 20 30 CHEDHN Cc1cc(Nc2oc(-c3ccccc3)cc2C#N)ccn1 ZINC001174653218 1132950395 /nfs/dbraw/zinc/95/03/95/1132950395.db2.gz CWFDEDRMUYDFDF-UHFFFAOYSA-N 0 3 275.311 3.687 20 30 CHEDHN C=CCN(CC=C)Cc1ccccc1-c1nccs1 ZINC000139898544 1133083078 /nfs/dbraw/zinc/08/30/78/1133083078.db2.gz MRGWWTZRMSVFBI-UHFFFAOYSA-N 0 3 270.401 3.984 20 30 CHEDHN Cc1cc(CN)nn1C#C[Si](C(C)C)(C(C)C)C(C)C ZINC001163981438 1133191457 /nfs/dbraw/zinc/19/14/57/1133191457.db2.gz LMFQKORYIZCQTK-UHFFFAOYSA-N 0 3 291.515 3.677 20 30 CHEDHN CC(C)(Nc1c[nH]cc2ccnc1-2)c1ccc(C#N)cc1 ZINC001165753247 1133250436 /nfs/dbraw/zinc/25/04/36/1133250436.db2.gz XWVVRMLUYXNXPP-UHFFFAOYSA-N 0 3 276.343 3.782 20 30 CHEDHN CC(C)(Nc1cncc2cc[nH]c21)c1ccc(C#N)cc1 ZINC001165753247 1133250441 /nfs/dbraw/zinc/25/04/41/1133250441.db2.gz XWVVRMLUYXNXPP-UHFFFAOYSA-N 0 3 276.343 3.782 20 30 CHEDHN Cc1ccccc1O[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001203903377 1133383716 /nfs/dbraw/zinc/38/37/16/1133383716.db2.gz CWDLEPIDBKDBHG-SFHVURJKSA-N 0 3 292.382 3.520 20 30 CHEDHN C=CC(C)(C)NCc1cc2ccccc2cc1OC ZINC001203987415 1133394607 /nfs/dbraw/zinc/39/46/07/1133394607.db2.gz SMCBWTIOTLXJND-UHFFFAOYSA-N 0 3 255.361 3.903 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccncc1 ZINC001204082765 1133406389 /nfs/dbraw/zinc/40/63/89/1133406389.db2.gz QEZKMGLAYWEYRX-UHFFFAOYSA-N 0 3 252.361 3.660 20 30 CHEDHN COc1cccc([C@@H]2CCN(Cc3ccccc3C#N)C2)c1 ZINC001204372445 1133441411 /nfs/dbraw/zinc/44/14/11/1133441411.db2.gz DZCDJFFRLAWEBI-GOSISDBHSA-N 0 3 292.382 3.556 20 30 CHEDHN C#CCCCCCCN(C)Cc1ccc(F)cc1F ZINC001205186393 1133543076 /nfs/dbraw/zinc/54/30/76/1133543076.db2.gz YAOKLFFXRFSTGU-UHFFFAOYSA-N 0 3 265.347 3.980 20 30 CHEDHN C#C[C@H](NCc1ccc(C(F)F)c(F)c1)C(C)C ZINC001205713629 1133604725 /nfs/dbraw/zinc/60/47/25/1133604725.db2.gz DZCBOQNUNAQUEA-ZDUSSCGKSA-N 0 3 255.283 3.511 20 30 CHEDHN C#C[C@@H](NCCCC)c1ccc(Br)cc1 ZINC001205990856 1133638326 /nfs/dbraw/zinc/63/83/26/1133638326.db2.gz WJXPUKDUACSPTI-CYBMUJFWSA-N 0 3 266.182 3.513 20 30 CHEDHN C=CCCCCCC[C@@H](C)OCCCN1CCN(C)CC1 ZINC001206597108 1133725966 /nfs/dbraw/zinc/72/59/66/1133725966.db2.gz VSKCKNCHSJUTDV-GOSISDBHSA-N 0 3 296.499 3.556 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cc(OC)c(OC)cc2Cl)C1 ZINC001206801725 1133751279 /nfs/dbraw/zinc/75/12/79/1133751279.db2.gz ZBDPCGFGHOSQSQ-GFCCVEGCSA-N 0 3 295.810 3.755 20 30 CHEDHN Cc1cc(C)cc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)c1 ZINC001207110643 1133769349 /nfs/dbraw/zinc/76/93/49/1133769349.db2.gz PSQRMUZHRHITIF-IBGZPJMESA-N 0 3 293.414 3.851 20 30 CHEDHN CCCN(CCC#N)CC[C@H](C)CCCC(C)(C)O ZINC001207671188 1133837901 /nfs/dbraw/zinc/83/79/01/1133837901.db2.gz TWVARHZZRRAKBV-OAHLLOKOSA-N 0 3 268.445 3.579 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN2CCC3SC(=O)C=C3C2)CC1 ZINC001208171490 1133897048 /nfs/dbraw/zinc/89/70/48/1133897048.db2.gz UXZRRLIFVMMELD-GDBMZVCRSA-N 0 3 289.444 3.563 20 30 CHEDHN COc1cc(C#N)ccc1Nc1ccnc(C2CC2)c1 ZINC001209325917 1134005384 /nfs/dbraw/zinc/00/53/84/1134005384.db2.gz MOFZKVAMLRYBQX-UHFFFAOYSA-N 0 3 265.316 3.583 20 30 CHEDHN C=CCCCCCCN(C)Cc1cnc2ccccn12 ZINC001209432077 1134018474 /nfs/dbraw/zinc/01/84/74/1134018474.db2.gz ZANWTDSIPUSSBB-UHFFFAOYSA-N 0 3 271.408 3.903 20 30 CHEDHN Cc1cccc2c(CN(C)Cc3cccc(C#N)c3)c[nH]c21 ZINC001209495586 1134029410 /nfs/dbraw/zinc/02/94/10/1134029410.db2.gz VDSIJQAFCBMMIJ-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN C=CCN(Cc1cn(C)c2ncccc12)Cc1ccccc1 ZINC001209750503 1134058944 /nfs/dbraw/zinc/05/89/44/1134058944.db2.gz OTMMANPHWWEXSU-UHFFFAOYSA-N 0 3 291.398 3.762 20 30 CHEDHN Cc1cc(NC2=CC(=O)C[C@@H](C)C2)c2ccsc2n1 ZINC001210772019 1134292112 /nfs/dbraw/zinc/29/21/12/1134292112.db2.gz VNNZNGXZRMWIPS-VIFPVBQESA-N 0 3 272.373 3.900 20 30 CHEDHN F[C@H]1CNCC[C@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001218066260 1135052972 /nfs/dbraw/zinc/05/29/72/1135052972.db2.gz KHDBLMGMPDHDEN-FUHWJXTLSA-N 0 3 298.361 3.516 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)s1 ZINC000309838654 1135118067 /nfs/dbraw/zinc/11/80/67/1135118067.db2.gz BZAHBMZNMBKTHN-OPRDCNLKSA-N 0 3 254.786 3.744 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)N[C@H](C)CCCC(C)C ZINC001220250032 1135148555 /nfs/dbraw/zinc/14/85/55/1135148555.db2.gz LFUIURQYLRGTBR-CVEARBPZSA-N 0 3 282.472 3.781 20 30 CHEDHN C#CCOc1ccccc1CN[C@H](c1ccccc1)C1CC1 ZINC000315368987 1135153660 /nfs/dbraw/zinc/15/36/60/1135153660.db2.gz CMRBQEKKZKFURQ-HXUWFJFHSA-N 0 3 291.394 3.940 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(F)c(C)c2)cc1 ZINC000096996349 185148965 /nfs/dbraw/zinc/14/89/65/185148965.db2.gz MSIBFPYIJMJUGO-UHFFFAOYSA-N 0 3 285.362 3.989 20 30 CHEDHN CC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000343631072 529638568 /nfs/dbraw/zinc/63/85/68/529638568.db2.gz MTISEVXDSMMPHE-AWEZNQCLSA-N 0 3 298.390 3.523 20 30 CHEDHN CC(C#N)C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000354761410 533107938 /nfs/dbraw/zinc/10/79/38/533107938.db2.gz MISQJFGBARZSFB-KBPBESRZSA-N 0 3 270.376 3.536 20 30 CHEDHN CC(C)(CCC#N)CN1CCC[C@H](C(F)(F)F)C1 ZINC000179625232 260059214 /nfs/dbraw/zinc/05/92/14/260059214.db2.gz YAQOPYIXRXVFID-NSHDSACASA-N 0 3 262.319 3.591 20 30 CHEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000336029338 533236282 /nfs/dbraw/zinc/23/62/82/533236282.db2.gz MGCYLQQDHYUWAZ-WDEREUQCSA-N 0 3 286.762 3.830 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3ccccc32)cc1 ZINC000020133662 171021851 /nfs/dbraw/zinc/02/18/51/171021851.db2.gz RHPYBEHNBBKHNL-GOSISDBHSA-N 0 3 262.356 3.725 20 30 CHEDHN C[C@H](NCc1cc(C#N)cs1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000344710335 225153977 /nfs/dbraw/zinc/15/39/77/225153977.db2.gz XAFPZFHNGWQCOM-PRXAMGSTSA-N 0 3 298.411 3.663 20 30 CHEDHN CC(C#N)C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000334791361 225322654 /nfs/dbraw/zinc/32/26/54/225322654.db2.gz QFMGFYPPPBVSCV-GDBMZVCRSA-N 0 3 282.387 3.680 20 30 CHEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000334779371 225317937 /nfs/dbraw/zinc/31/79/37/225317937.db2.gz ZQWUKXOCBBGWRL-ZBEGNZNMSA-N 0 3 268.385 3.958 20 30 CHEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000334831880 225325830 /nfs/dbraw/zinc/32/58/30/225325830.db2.gz IGKHVWVHAWQOCS-DYVFJYSZSA-N 0 3 278.355 3.663 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3occc31)CC2 ZINC000353429140 228100831 /nfs/dbraw/zinc/10/08/31/228100831.db2.gz SGZISUHIPPELQW-IAGOWNOFSA-N 0 3 278.355 3.806 20 30 CHEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000336183007 228208174 /nfs/dbraw/zinc/20/81/74/228208174.db2.gz QQABXEANIGYDSB-RISCZKNCSA-N 0 3 276.767 3.553 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000335954149 228169617 /nfs/dbraw/zinc/16/96/17/228169617.db2.gz UWOONCYMQAYPSI-SCLBCKFNSA-N 0 3 277.371 3.681 20 30 CHEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000186708273 260008259 /nfs/dbraw/zinc/00/82/59/260008259.db2.gz VODMDSSOXMYEOL-UKRRQHHQSA-N 0 3 271.360 3.534 20 30 CHEDHN Cc1cc(CNCc2ccc(C#N)cc2)ccc1Cl ZINC000180796938 260111121 /nfs/dbraw/zinc/11/11/21/260111121.db2.gz IJGAYLRGAFNBON-UHFFFAOYSA-N 0 3 270.763 3.810 20 30 CHEDHN CC(C)(C#N)CCN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000363468737 260274988 /nfs/dbraw/zinc/27/49/88/260274988.db2.gz MHYIJVZUGHCXGN-IRXDYDNUSA-N 0 3 286.419 3.514 20 30 CHEDHN C=CCN(Cc1cccc(Br)c1)C(C)C ZINC000517853470 260312105 /nfs/dbraw/zinc/31/21/05/260312105.db2.gz HZWFLQKCYFPMTF-UHFFFAOYSA-N 0 3 268.198 3.846 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cc2ccccc2o1 ZINC000090451151 260359971 /nfs/dbraw/zinc/35/99/71/260359971.db2.gz RBRNPBBILPSXCP-CYBMUJFWSA-N 0 3 259.349 3.676 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCCC(C)(C)CC1 ZINC000130474487 260396658 /nfs/dbraw/zinc/39/66/58/260396658.db2.gz WISKMAFGGOWUPP-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN C[C@@H]1SCCN(CCCCC#N)[C@@H]1c1ccccc1 ZINC000118423011 260688860 /nfs/dbraw/zinc/68/88/60/260688860.db2.gz QVKZAMWDTYYYHF-HOCLYGCPSA-N 0 3 274.433 3.859 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2cccs2)cc1 ZINC000156502061 260794338 /nfs/dbraw/zinc/79/43/38/260794338.db2.gz LULPDLAVPJCBQA-ZDUSSCGKSA-N 0 3 271.385 3.611 20 30 CHEDHN CN(Cc1ccc(F)c(C#N)c1)CC1(c2ccccc2)CC1 ZINC000444687401 261066567 /nfs/dbraw/zinc/06/65/67/261066567.db2.gz UYRPZDXMOGYESP-UHFFFAOYSA-N 0 3 294.373 3.861 20 30 CHEDHN COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000157928827 261155368 /nfs/dbraw/zinc/15/53/68/261155368.db2.gz MMQLOCWXKPYTIE-QGZVFWFLSA-N 0 3 292.382 3.556 20 30 CHEDHN C=CC[C@H]1N(Cc2ccc(C(=O)OC)o2)CCCC1(C)C ZINC000444787804 261179416 /nfs/dbraw/zinc/17/94/16/261179416.db2.gz SHRVMIOGSWFWGP-OAHLLOKOSA-N 0 3 291.391 3.633 20 30 CHEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccccn1 ZINC000179465395 261789465 /nfs/dbraw/zinc/78/94/65/261789465.db2.gz GCLCVUJLEJFYEO-AWEZNQCLSA-N 0 3 297.427 3.537 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(Br)c(F)c1 ZINC000336736315 261913922 /nfs/dbraw/zinc/91/39/22/261913922.db2.gz IRHHYYQHSMBYNU-VIFPVBQESA-N 0 3 285.160 3.543 20 30 CHEDHN C=C(C)CN(C)Cc1cc(C)c(C)cc1OC(F)F ZINC000497185419 262087692 /nfs/dbraw/zinc/08/76/92/262087692.db2.gz ZNGQTTNASPWXES-UHFFFAOYSA-N 0 3 269.335 3.913 20 30 CHEDHN N#CCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000193039311 262214985 /nfs/dbraw/zinc/21/49/85/262214985.db2.gz SCBYFEQLXFJBGK-UAGQMJEPSA-N 0 3 267.376 3.703 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC000193311162 262220545 /nfs/dbraw/zinc/22/05/45/262220545.db2.gz URCHXXQNJGXJCK-GXFFZTMASA-N 0 3 266.747 3.651 20 30 CHEDHN C=CCCOCCNCc1ccc(F)cc1C(F)(F)F ZINC000120872078 262239076 /nfs/dbraw/zinc/23/90/76/262239076.db2.gz ZNESQZZAHBYVEM-UHFFFAOYSA-N 0 3 291.288 3.527 20 30 CHEDHN C=CC[C@H](CO)NCc1cccc(Oc2ccccc2)c1 ZINC000184263063 262275038 /nfs/dbraw/zinc/27/50/38/262275038.db2.gz AHNSTSDWFMMQDW-MRXNPFEDSA-N 0 3 283.371 3.506 20 30 CHEDHN C[C@@H](NCc1cccc(C#N)c1F)C1CCCCC1 ZINC000221956274 262336765 /nfs/dbraw/zinc/33/67/65/262336765.db2.gz AZZVQAYPUHDVQE-GFCCVEGCSA-N 0 3 260.356 3.756 20 30 CHEDHN C=C(C)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000509036960 262374980 /nfs/dbraw/zinc/37/49/80/262374980.db2.gz ZGKFIBQHQLSCAS-UHFFFAOYSA-N 0 3 260.337 3.525 20 30 CHEDHN C=CCC[C@@H](NCc1cnc(OC)nc1C)c1ccccc1 ZINC000337180831 262429083 /nfs/dbraw/zinc/42/90/83/262429083.db2.gz MFWZFYUXUPFAMO-QGZVFWFLSA-N 0 3 297.402 3.591 20 30 CHEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000447317238 262662584 /nfs/dbraw/zinc/66/25/84/262662584.db2.gz CESSWPAAJFJASX-JQWIXIFHSA-N 0 3 288.218 3.971 20 30 CHEDHN CC[C@@H](NCCCC#N)c1ccc(Br)cc1 ZINC000271961152 263000538 /nfs/dbraw/zinc/00/05/38/263000538.db2.gz FWFPVKGKYOONOC-CYBMUJFWSA-N 0 3 281.197 3.794 20 30 CHEDHN COCCN(CCC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000272029318 263001324 /nfs/dbraw/zinc/00/13/24/263001324.db2.gz OTDDRIVTIJIDHT-HNNXBMFYSA-N 0 3 274.408 3.636 20 30 CHEDHN CC1(C#N)CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000272535960 263005888 /nfs/dbraw/zinc/00/58/88/263005888.db2.gz IYKIABIMYAHFEU-INIZCTEOSA-N 0 3 272.367 3.829 20 30 CHEDHN CC1(C#N)CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC000272536298 263005969 /nfs/dbraw/zinc/00/59/69/263005969.db2.gz OFRISQFACYPPPW-UHFFFAOYSA-N 0 3 291.398 3.874 20 30 CHEDHN C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(C)(C#N)CC1 ZINC000272633339 263007953 /nfs/dbraw/zinc/00/79/53/263007953.db2.gz WPKWSDUULYNOHF-LBPRGKRZSA-N 0 3 294.345 3.975 20 30 CHEDHN C[C@H]1COc2ccccc2CN1CC(C)(C)CCC#N ZINC000272935627 263010213 /nfs/dbraw/zinc/01/02/13/263010213.db2.gz LDCPLOJGXVYTQE-AWEZNQCLSA-N 0 3 272.392 3.599 20 30 CHEDHN Cc1ccc(OC(F)F)c([C@H](C)NCCCC#N)c1 ZINC000273170023 263013393 /nfs/dbraw/zinc/01/33/93/263013393.db2.gz BPQSJEMHYPWGLL-NSHDSACASA-N 0 3 268.307 3.551 20 30 CHEDHN C[C@H]1C[C@H](NCCCC#N)c2cccc(Br)c21 ZINC000273314790 263015226 /nfs/dbraw/zinc/01/52/26/263015226.db2.gz XTPJYCHGHCHZOZ-GWCFXTLKSA-N 0 3 293.208 3.891 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1cc(Br)ncc1F ZINC000273902241 263020392 /nfs/dbraw/zinc/02/03/92/263020392.db2.gz WAPTZJSFYFJCTE-IUCAKERBSA-N 0 3 287.176 3.598 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2C(F)(F)F)C1 ZINC000274176165 263021652 /nfs/dbraw/zinc/02/16/52/263021652.db2.gz DBHMTXICXDZCRB-AAEUAGOBSA-N 0 3 282.309 3.877 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2C(F)(F)F)C1 ZINC000274176172 263021662 /nfs/dbraw/zinc/02/16/62/263021662.db2.gz DBHMTXICXDZCRB-WCQYABFASA-N 0 3 282.309 3.877 20 30 CHEDHN CC(C)Oc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000274217525 263021998 /nfs/dbraw/zinc/02/19/98/263021998.db2.gz PDHFOMIBESTXQX-JKSUJKDBSA-N 0 3 272.392 3.646 20 30 CHEDHN C[C@@H](NCCCCC#N)c1nc(C(F)(F)F)cs1 ZINC000274557308 263026110 /nfs/dbraw/zinc/02/61/10/263026110.db2.gz FJKTVEPEFWLIJA-MRVPVSSYSA-N 0 3 277.315 3.506 20 30 CHEDHN Cc1csc(C2(NCCCC(C)(C)C#N)CCC2)n1 ZINC000275178684 263032847 /nfs/dbraw/zinc/03/28/47/263032847.db2.gz MPVQAWZAOMYNMV-UHFFFAOYSA-N 0 3 277.437 3.750 20 30 CHEDHN Cc1cccc(NC2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000276339029 263036426 /nfs/dbraw/zinc/03/64/26/263036426.db2.gz SUNCZGJHOYNOBG-HNNXBMFYSA-N 0 3 271.408 3.564 20 30 CHEDHN CC(C)(C#N)CCCCN1CCc2c(F)cccc2C1 ZINC000277601752 263042328 /nfs/dbraw/zinc/04/23/28/263042328.db2.gz FDOIZICDUFTDRT-UHFFFAOYSA-N 0 3 274.383 3.904 20 30 CHEDHN CO[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000278672738 263049695 /nfs/dbraw/zinc/04/96/95/263049695.db2.gz JGWKITJLQPZAJW-APHBMKBZSA-N 0 3 292.810 3.699 20 30 CHEDHN CN(Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278746277 263050315 /nfs/dbraw/zinc/05/03/15/263050315.db2.gz WTNOYPLTEWAVBF-GXTWGEPZSA-N 0 3 293.208 3.573 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2coc3ccccc23)C1 ZINC000278780748 263050913 /nfs/dbraw/zinc/05/09/13/263050913.db2.gz PSVQOHYCORINKA-GXTWGEPZSA-N 0 3 254.333 3.605 20 30 CHEDHN CCC[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000213540278 263063570 /nfs/dbraw/zinc/06/35/70/263063570.db2.gz ORFLTGGERJQHLT-OAHLLOKOSA-N 0 3 260.356 3.852 20 30 CHEDHN N#CC1CCC(CNCc2cc(Cl)ccc2F)CC1 ZINC000281674353 263071226 /nfs/dbraw/zinc/07/12/26/263071226.db2.gz LUVNHZBBPIDHKU-UHFFFAOYSA-N 0 3 280.774 3.899 20 30 CHEDHN C[C@H](NCC1CCC(C#N)CC1)c1cc(F)ccc1F ZINC000282483729 263077079 /nfs/dbraw/zinc/07/70/79/263077079.db2.gz TULGZSMTBZAVOF-HIFPTAJRSA-N 0 3 278.346 3.945 20 30 CHEDHN CN(Cc1cc2ccccc2o1)[C@@H]1CC[C@H](C#N)C1 ZINC000292833111 263135463 /nfs/dbraw/zinc/13/54/63/263135463.db2.gz OYMAZXUAMMXXFR-GXTWGEPZSA-N 0 3 254.333 3.557 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3sc(Cl)cc32)C1 ZINC000353576034 263182835 /nfs/dbraw/zinc/18/28/35/263182835.db2.gz MJZCNEGBNWKEBS-FXPVBKGRSA-N 0 3 266.797 3.671 20 30 CHEDHN CC(C)[C@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000298074444 263214773 /nfs/dbraw/zinc/21/47/73/263214773.db2.gz AWFOFBYQBREMBV-AWEZNQCLSA-N 0 3 250.773 3.930 20 30 CHEDHN Cc1nc2ccccc2n1C1CCN([C@H](C)CCC#N)CC1 ZINC000298581016 263222322 /nfs/dbraw/zinc/22/23/22/263222322.db2.gz QYMGXIRKQKECRE-CQSZACIVSA-N 0 3 296.418 3.674 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000299714811 263252910 /nfs/dbraw/zinc/25/29/10/263252910.db2.gz RDANPWQWZGOZFH-QWRGUYRKSA-N 0 3 268.307 3.631 20 30 CHEDHN N#Cc1csc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000342420805 263425768 /nfs/dbraw/zinc/42/57/68/263425768.db2.gz OFPDXLITBTVGFZ-WBVHZDCISA-N 0 3 298.411 3.630 20 30 CHEDHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000331350733 264206650 /nfs/dbraw/zinc/20/66/50/264206650.db2.gz NXCDECHUUGCJRQ-CIRFHOKZSA-N 0 3 298.430 3.700 20 30 CHEDHN CC(C)Oc1ccc([C@@H]2CCC[C@H]2NCCC#N)cc1 ZINC000425967354 264238558 /nfs/dbraw/zinc/23/85/58/264238558.db2.gz NROGJILBEAVNCJ-DLBZAZTESA-N 0 3 272.392 3.613 20 30 CHEDHN C[C@H](C1CC1)N(Cc1ccccc1)CC1(C#N)CC1 ZINC000343261830 264254368 /nfs/dbraw/zinc/25/43/68/264254368.db2.gz TUYRADFOXCBXSH-CQSZACIVSA-N 0 3 254.377 3.591 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC000189514093 264303586 /nfs/dbraw/zinc/30/35/86/264303586.db2.gz VLXLRNNYHCYVEU-HZPDHXFCSA-N 0 3 280.371 3.652 20 30 CHEDHN C=C[C@H](C)N[C@H]1CCCc2ccc(Br)cc21 ZINC000128833957 264307852 /nfs/dbraw/zinc/30/78/52/264307852.db2.gz QTASPUCRSMRLJQ-HZMBPMFUSA-N 0 3 280.209 3.991 20 30 CHEDHN CC(C)Cc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000189582322 264310506 /nfs/dbraw/zinc/31/05/06/264310506.db2.gz NGPSUTDJMHMOLH-HNNXBMFYSA-N 0 3 295.430 3.946 20 30 CHEDHN C=C(C)[C@H](NC[C@H](OC)C1CC1)c1ccc(F)c(F)c1 ZINC000425436080 264319518 /nfs/dbraw/zinc/31/95/18/264319518.db2.gz VCBGRMRATQXCOB-HOTGVXAUSA-N 0 3 281.346 3.597 20 30 CHEDHN C[C@H](NCC(C)(C)CCC#N)c1cccc(F)c1F ZINC000348209464 265147687 /nfs/dbraw/zinc/14/76/87/265147687.db2.gz YMPXIYBTFSXVSP-NSHDSACASA-N 0 3 266.335 3.945 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000349846484 265210647 /nfs/dbraw/zinc/21/06/47/265210647.db2.gz BRJQYLKTXZIKDJ-JOYOIKCWSA-N 0 3 286.272 3.626 20 30 CHEDHN CC1(C2CC2)CCN(Cc2cc(C#N)cs2)CC1 ZINC000356302068 266091617 /nfs/dbraw/zinc/09/16/17/266091617.db2.gz VBEFMGAOYVDBBC-UHFFFAOYSA-N 0 3 260.406 3.632 20 30 CHEDHN CCC[C@H](Cc1ccccc1)NCC1(C#N)CCC1 ZINC000418140456 267361828 /nfs/dbraw/zinc/36/18/28/267361828.db2.gz JLWITRHVKVBBNT-MRXNPFEDSA-N 0 3 256.393 3.681 20 30 CHEDHN N#CC1(CNCCCc2c(F)cccc2Cl)CCC1 ZINC000418144903 267366504 /nfs/dbraw/zinc/36/65/04/267366504.db2.gz VPRDRNGLTOKGJR-UHFFFAOYSA-N 0 3 280.774 3.695 20 30 CHEDHN Cc1ccccc1C1CC(NCC2(C#N)CCC2)C1 ZINC000418136522 267368954 /nfs/dbraw/zinc/36/89/54/267368954.db2.gz CKQRDRLFWVNMRB-UHFFFAOYSA-N 0 3 254.377 3.525 20 30 CHEDHN C=CCOCCN[C@H](CC)c1cccc(Cl)c1 ZINC000305502740 267946853 /nfs/dbraw/zinc/94/68/53/267946853.db2.gz AFSKPHSPJGAQJR-CQSZACIVSA-N 0 3 253.773 3.583 20 30 CHEDHN C=CC[C@H](CO)N[C@@H](C)c1oc2ccccc2c1CC ZINC000186692690 327700126 /nfs/dbraw/zinc/70/01/26/327700126.db2.gz KGDROBDZPLLLOA-QWHCGFSZSA-N 0 3 273.376 3.583 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000186714806 327701305 /nfs/dbraw/zinc/70/13/05/327701305.db2.gz DETVITAYDNMURG-ONGXEEELSA-N 0 3 274.191 3.581 20 30 CHEDHN CC(C)CC[C@H]1CCC[C@H]1NCc1ccc(C#N)o1 ZINC000236628330 328001913 /nfs/dbraw/zinc/00/19/13/328001913.db2.gz JCZFTGBCCTZQCS-CZUORRHYSA-N 0 3 260.381 3.846 20 30 CHEDHN CCC(CC)N(Cc1ccc(C#N)cc1OC)C1CC1 ZINC000534309697 328044940 /nfs/dbraw/zinc/04/49/40/328044940.db2.gz SNRSYHRUVHIBOS-UHFFFAOYSA-N 0 3 272.392 3.720 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000563334317 328055831 /nfs/dbraw/zinc/05/58/31/328055831.db2.gz JIBICFAQYADXOU-ZDUSSCGKSA-N 0 3 263.381 3.629 20 30 CHEDHN CN(CCCOc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000160809758 328087035 /nfs/dbraw/zinc/08/70/35/328087035.db2.gz QYTSYDHAYFQAKT-UHFFFAOYSA-N 0 3 298.361 3.598 20 30 CHEDHN CC(C)Oc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000274636397 328212194 /nfs/dbraw/zinc/21/21/94/328212194.db2.gz QAQZRPXAHYXLDW-DZKIICNBSA-N 0 3 272.392 3.817 20 30 CHEDHN C[C@H](NCC1CCC(C#N)CC1)c1nc2ccccc2n1C ZINC000282235841 328241841 /nfs/dbraw/zinc/24/18/41/328241841.db2.gz ITDZVZIMKYIHSM-NFOMZHRRSA-N 0 3 296.418 3.554 20 30 CHEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cnn(C)c1 ZINC000340430918 328276717 /nfs/dbraw/zinc/27/67/17/328276717.db2.gz AHJXASMVCQSYSS-RHSMWYFYSA-N 0 3 282.391 3.506 20 30 CHEDHN CN(Cc1cc(Br)cs1)[C@H]1CC[C@H](C#N)C1 ZINC000293601900 328276983 /nfs/dbraw/zinc/27/69/83/328276983.db2.gz VCLRVWMKNCVEFL-ONGXEEELSA-N 0 3 299.237 3.635 20 30 CHEDHN N#CCC[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000295787727 328287160 /nfs/dbraw/zinc/28/71/60/328287160.db2.gz RWHARSZXQGULAC-IAGOWNOFSA-N 0 3 284.403 3.723 20 30 CHEDHN N#CCC[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000295787737 328287246 /nfs/dbraw/zinc/28/72/46/328287246.db2.gz RWHARSZXQGULAC-SJORKVTESA-N 0 3 284.403 3.723 20 30 CHEDHN N#CC[C@@H]1CC[C@H](N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000296498111 328291012 /nfs/dbraw/zinc/29/10/12/328291012.db2.gz OYWLUQLUQMDNLO-ZIBATOQPSA-N 0 3 276.330 3.624 20 30 CHEDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)CCC#N ZINC000298626410 328296797 /nfs/dbraw/zinc/29/67/97/328296797.db2.gz VKSUUGVSWNYPMU-AWEZNQCLSA-N 0 3 260.381 3.687 20 30 CHEDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CCC#N ZINC000298626410 328296799 /nfs/dbraw/zinc/29/67/99/328296799.db2.gz VKSUUGVSWNYPMU-AWEZNQCLSA-N 0 3 260.381 3.687 20 30 CHEDHN CC(C)(C)c1cnc(CNCC(C)(C)CCC#N)s1 ZINC000342276620 328418566 /nfs/dbraw/zinc/41/85/66/328418566.db2.gz KLTYJJUYYHREOL-UHFFFAOYSA-N 0 3 279.453 3.860 20 30 CHEDHN C=CC[C@H](CO)CN[C@@H](C)c1oc2ccccc2c1CC ZINC000563721313 328495709 /nfs/dbraw/zinc/49/57/09/328495709.db2.gz DJNOYEHKFVFVDC-KBPBESRZSA-N 0 3 287.403 3.830 20 30 CHEDHN CC[C@H](CNCc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000530764070 326890261 /nfs/dbraw/zinc/89/02/61/326890261.db2.gz ZYSFUZCKCLQSQM-QGZVFWFLSA-N 0 3 298.361 3.645 20 30 CHEDHN N#CCC1CCN(CCc2cccc(Cl)c2)CC1 ZINC000556785846 326964430 /nfs/dbraw/zinc/96/44/30/326964430.db2.gz SFAYTQMLDUEZFV-UHFFFAOYSA-N 0 3 262.784 3.508 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(Cl)cc1)CC2 ZINC000558504446 327099425 /nfs/dbraw/zinc/09/94/25/327099425.db2.gz UCQMIMXQODMOSO-QGZVFWFLSA-N 0 3 282.774 3.989 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1OCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000558503771 327099463 /nfs/dbraw/zinc/09/94/63/327099463.db2.gz CFMFZGKENOTLSV-CCKFTAQKSA-N 0 3 298.430 3.730 20 30 CHEDHN C=CCOCCN1CCC[C@H]1c1ccccc1Cl ZINC000559049721 327139087 /nfs/dbraw/zinc/13/90/87/327139087.db2.gz VZHWZBXRGUTKFU-HNNXBMFYSA-N 0 3 265.784 3.680 20 30 CHEDHN CCO[C@@H]1C[C@H](NCc2ccccc2C#N)C12CCCCC2 ZINC000559326835 327160074 /nfs/dbraw/zinc/16/00/74/327160074.db2.gz CSDQAUFHALKNNI-ZWKOTPCHSA-N 0 3 298.430 3.776 20 30 CHEDHN COc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1Cl ZINC000569418931 327174265 /nfs/dbraw/zinc/17/42/65/327174265.db2.gz SAZKHOHYVXIUSL-LLVKDONJSA-N 0 3 278.783 3.693 20 30 CHEDHN CC(C)(C#N)CCCN1CCC=C(c2ccccn2)C1 ZINC000555879017 327249930 /nfs/dbraw/zinc/24/99/30/327249930.db2.gz UFSFFEZGAJXIOF-UHFFFAOYSA-N 0 3 269.392 3.501 20 30 CHEDHN C=C(C)CN1CCC(N[C@H](C)c2cc(F)ccc2F)CC1 ZINC000152951104 327300845 /nfs/dbraw/zinc/30/08/45/327300845.db2.gz HIWNLWMEEQPCKE-CYBMUJFWSA-N 0 3 294.389 3.656 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NC/C=C\c1ccccc1)CC2 ZINC000564497177 327336440 /nfs/dbraw/zinc/33/64/40/327336440.db2.gz NPPATYMSBAZAMJ-BQHGXPCASA-N 0 3 274.367 3.849 20 30 CHEDHN C/C=C\COc1ccc(CC[C@@H](C)NCC2(C#N)CC2)cc1 ZINC000583418195 327354374 /nfs/dbraw/zinc/35/43/74/327354374.db2.gz VAZYCWUXCKKBON-MJSXRHKHSA-N 0 3 298.430 3.856 20 30 CHEDHN CC(C)(C#N)CCN1CCC(F)(c2ccccc2)CC1 ZINC000561886665 327428288 /nfs/dbraw/zinc/42/82/88/327428288.db2.gz HBAKZSMFMUFFND-UHFFFAOYSA-N 0 3 274.383 3.887 20 30 CHEDHN C[C@H](NCc1cccc(C#N)c1)c1cc2c(s1)CCC2 ZINC000151383615 327468297 /nfs/dbraw/zinc/46/82/97/327468297.db2.gz KJDNQHJFHVWPBX-LBPRGKRZSA-N 0 3 282.412 3.959 20 30 CHEDHN C[C@@H](NC1(C2CC2)CC1)c1ccc(C#N)cc1Cl ZINC000562425730 327480349 /nfs/dbraw/zinc/48/03/49/327480349.db2.gz NTSCGHNRTUQHKX-SNVBAGLBSA-N 0 3 260.768 3.805 20 30 CHEDHN C=CCNC/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000582203435 328637673 /nfs/dbraw/zinc/63/76/73/328637673.db2.gz DMJMVLMREFCWLH-FLIBITNWSA-N 0 3 255.283 3.884 20 30 CHEDHN Cc1cc(C)nc(NCc2cccc(OCCCC#N)c2)c1 ZINC000122375434 329001865 /nfs/dbraw/zinc/00/18/65/329001865.db2.gz OWTHKNURKYVWNG-UHFFFAOYSA-N 0 3 295.386 3.993 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000378140594 329041187 /nfs/dbraw/zinc/04/11/87/329041187.db2.gz NUWWNLXUARSJNV-KSSFIOAISA-N 0 3 296.414 3.742 20 30 CHEDHN C[C@H]1c2ccccc2CCN1Cc1cccc(C#N)c1 ZINC000170954638 329072800 /nfs/dbraw/zinc/07/28/00/329072800.db2.gz UIELDCLEZLCOOU-AWEZNQCLSA-N 0 3 262.356 3.678 20 30 CHEDHN C=CCOc1ccccc1CNCc1cc(C)cs1 ZINC000394229764 329107969 /nfs/dbraw/zinc/10/79/69/329107969.db2.gz LYOSIQTZIOBADJ-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN N#Cc1ccc(CN2CCC(OCC3CCCC3)CC2)cc1 ZINC000177501419 329184891 /nfs/dbraw/zinc/18/48/91/329184891.db2.gz RZZFSUUSLHOEDR-UHFFFAOYSA-N 0 3 298.430 3.729 20 30 CHEDHN N#CCCCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000177719527 329189657 /nfs/dbraw/zinc/18/96/57/329189657.db2.gz DYTZUPXSOXGTJG-UHFFFAOYSA-N 0 3 280.371 3.999 20 30 CHEDHN Cc1scc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000180731732 329222700 /nfs/dbraw/zinc/22/27/00/329222700.db2.gz PCWAUZLSKVIXFG-NSHDSACASA-N 0 3 295.367 3.731 20 30 CHEDHN N#Cc1c(NC2CCN(C3CC3)CC2)cccc1C(F)F ZINC000582856961 329281677 /nfs/dbraw/zinc/28/16/77/329281677.db2.gz VDPSGKNBDLOTBN-UHFFFAOYSA-N 0 3 291.345 3.535 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)CCc1ccccc1)c1ccco1 ZINC000583016254 329302946 /nfs/dbraw/zinc/30/29/46/329302946.db2.gz PQEOVDDORSFFQI-ROUUACIJSA-N 0 3 299.414 3.870 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000185794917 329332020 /nfs/dbraw/zinc/33/20/20/329332020.db2.gz KZEBNSZANQZIGX-YWPYICTPSA-N 0 3 290.794 3.836 20 30 CHEDHN C=CCCCN(C)Cc1nc2ccc(OC)cc2s1 ZINC000187060744 329351900 /nfs/dbraw/zinc/35/19/00/329351900.db2.gz HVKLARRYAJRJGO-UHFFFAOYSA-N 0 3 276.405 3.703 20 30 CHEDHN CN(CC1(C#N)CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459696209 329363476 /nfs/dbraw/zinc/36/34/76/329363476.db2.gz JVOKQBFHSMMTLQ-JKSUJKDBSA-N 0 3 254.377 3.558 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCC23CCCC3)c(F)c1 ZINC000189115106 329377869 /nfs/dbraw/zinc/37/78/69/329377869.db2.gz RZOSGVPSDFQVNF-OAHLLOKOSA-N 0 3 258.340 3.510 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OC2CCC2)CC1 ZINC000419290418 329715053 /nfs/dbraw/zinc/71/50/53/329715053.db2.gz VMBYATVDAJBZLV-CQSZACIVSA-N 0 3 284.403 3.653 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000248816542 329899721 /nfs/dbraw/zinc/89/97/21/329899721.db2.gz KZEBNSZANQZIGX-LALPHHSUSA-N 0 3 290.794 3.836 20 30 CHEDHN CCc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000571693994 329906095 /nfs/dbraw/zinc/90/60/95/329906095.db2.gz FIFDGCCGBMFHSS-QGZVFWFLSA-N 0 3 282.412 3.959 20 30 CHEDHN C=CCC[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ccco1 ZINC000572298096 329970487 /nfs/dbraw/zinc/97/04/87/329970487.db2.gz KNBONZUXZQIZQS-UONOGXRCSA-N 0 3 263.381 3.834 20 30 CHEDHN C#CCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000268717446 330066204 /nfs/dbraw/zinc/06/62/04/330066204.db2.gz NUAXQSMPXBVORM-UHFFFAOYSA-N 0 3 288.778 3.684 20 30 CHEDHN C#CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000270259583 330073984 /nfs/dbraw/zinc/07/39/84/330073984.db2.gz VSYWYFAVUGISEG-LJQANCHMSA-N 0 3 278.399 3.607 20 30 CHEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000270350988 330075069 /nfs/dbraw/zinc/07/50/69/330075069.db2.gz PUYWPUKTAIORRL-ZIAGYGMSSA-N 0 3 296.480 3.895 20 30 CHEDHN C#CCCCN(Cc1ccco1)Cc1cccs1 ZINC000271067116 330077649 /nfs/dbraw/zinc/07/76/49/330077649.db2.gz UPHZUOSVGARART-UHFFFAOYSA-N 0 3 259.374 3.757 20 30 CHEDHN C=CCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000271668276 330081780 /nfs/dbraw/zinc/08/17/80/330081780.db2.gz MEKLBVKYWITJCK-GFCCVEGCSA-N 0 3 261.262 3.985 20 30 CHEDHN C=CCC[C@H](NC[C@](C)(O)c1cccs1)c1ccco1 ZINC000276391727 330113002 /nfs/dbraw/zinc/11/30/02/330113002.db2.gz BUAFUIXCWUQIPY-BBRMVZONSA-N 0 3 291.416 3.846 20 30 CHEDHN C=CC[C@@H]1N(Cc2nc(C)c(C)o2)CCCC1(C)C ZINC000277927808 330118528 /nfs/dbraw/zinc/11/85/28/330118528.db2.gz YMZDDBJXOYTPDC-AWEZNQCLSA-N 0 3 262.397 3.858 20 30 CHEDHN C=CCC[C@H](NC[C@H](N)c1ccccc1)c1ccco1 ZINC000423250073 330182661 /nfs/dbraw/zinc/18/26/61/330182661.db2.gz UMPWQXXFQZJRNL-HOTGVXAUSA-N 0 3 270.376 3.577 20 30 CHEDHN C=CCC[C@@H](NC[C@H]1NCCc2ccccc21)c1ccco1 ZINC000423445485 330202163 /nfs/dbraw/zinc/20/21/63/330202163.db2.gz YHDOPOSPPQEXCB-QZTJIDSGSA-N 0 3 296.414 3.764 20 30 CHEDHN CC(C)C[C@@H]1CCCN1Cc1cc(F)ccc1C#N ZINC000396769486 330225945 /nfs/dbraw/zinc/22/59/45/330225945.db2.gz CUCUGFVFTRQRHI-INIZCTEOSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H](C1CCC1)N(C)Cc1ccc(C#N)cc1Cl ZINC000325636184 330232638 /nfs/dbraw/zinc/23/26/38/330232638.db2.gz YRZOHBQPZSVYHO-LLVKDONJSA-N 0 3 262.784 3.832 20 30 CHEDHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1Cl ZINC000399742111 330246251 /nfs/dbraw/zinc/24/62/51/330246251.db2.gz JHTAMDPOSGSWBH-RISCZKNCSA-N 0 3 262.784 3.832 20 30 CHEDHN C=CC[C@@H](CC)NCc1cc(OCC)c(OC)cc1F ZINC000527703085 330275344 /nfs/dbraw/zinc/27/53/44/330275344.db2.gz KEQKRPPUUSBWLX-CYBMUJFWSA-N 0 3 281.371 3.677 20 30 CHEDHN COc1ccc(C(C)(C)NCc2ccc(C#N)cc2)cc1F ZINC000527780233 330282992 /nfs/dbraw/zinc/28/29/92/330282992.db2.gz FJFWRRHANGPBAZ-UHFFFAOYSA-N 0 3 298.361 3.731 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527870756 330286143 /nfs/dbraw/zinc/28/61/43/330286143.db2.gz RXTJWOHLYAHULH-KBPBESRZSA-N 0 3 269.392 3.702 20 30 CHEDHN N#C[C@H]1CC[C@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000527992271 330299285 /nfs/dbraw/zinc/29/92/85/330299285.db2.gz HHHUVISEVJDCJE-VZJVUDMVSA-N 0 3 260.768 3.609 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(Cl)c1Cl ZINC000424173413 330313710 /nfs/dbraw/zinc/31/37/10/330313710.db2.gz NESMFKHSJUDVEQ-GWCFXTLKSA-N 0 3 286.202 3.674 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccncc3)cc2F)C1 ZINC000424192555 330323761 /nfs/dbraw/zinc/32/37/61/330323761.db2.gz JDWQNWLIRLQNMH-SUMWQHHRSA-N 0 3 295.361 3.670 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc(OC)c(C#N)c1 ZINC000533079652 330330926 /nfs/dbraw/zinc/33/09/26/330330926.db2.gz AEJXQTAUPWMECJ-UHFFFAOYSA-N 0 3 272.392 3.745 20 30 CHEDHN COc1ccc([C@@H](C)NCC(C)(C)CC#N)c(Cl)c1 ZINC000424277474 330333557 /nfs/dbraw/zinc/33/35/57/330333557.db2.gz AMYYGCMYGTYONW-LLVKDONJSA-N 0 3 280.799 3.939 20 30 CHEDHN CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000424325463 330341239 /nfs/dbraw/zinc/34/12/39/330341239.db2.gz KXMQNCMRHHUYLU-JGGQBBKZSA-N 0 3 287.363 3.718 20 30 CHEDHN CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000424329201 330341941 /nfs/dbraw/zinc/34/19/41/330341941.db2.gz PKBLPDDBSWLCGR-NORZTCDRSA-N 0 3 278.346 3.944 20 30 CHEDHN COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC000424329134 330341998 /nfs/dbraw/zinc/34/19/98/330341998.db2.gz PDLSWOBKBGAREE-GRYCIOLGSA-N 0 3 278.783 3.691 20 30 CHEDHN CC1(C)Cc2occc2[C@H](N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000424331693 330342517 /nfs/dbraw/zinc/34/25/17/330342517.db2.gz SFPWRMMKABBGRY-OUCADQQQSA-N 0 3 258.365 3.575 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000108364529 330353638 /nfs/dbraw/zinc/35/36/38/330353638.db2.gz RKFSLVDQFKWGCI-UHFFFAOYSA-N 0 3 260.356 3.850 20 30 CHEDHN N#Cc1ccc(CNCCc2cc3ccccc3[nH]2)c(F)c1 ZINC000533309206 330356999 /nfs/dbraw/zinc/35/69/99/330356999.db2.gz PAHIZSVLNWJBIX-UHFFFAOYSA-N 0 3 293.345 3.511 20 30 CHEDHN CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000533325044 330357541 /nfs/dbraw/zinc/35/75/41/330357541.db2.gz OEBAZFBMKSVICA-UHFFFAOYSA-N 0 3 285.309 3.667 20 30 CHEDHN N#Cc1cc(CN2CC[C@H](c3ccccc3)C2)ccc1F ZINC000119302775 330372598 /nfs/dbraw/zinc/37/25/98/330372598.db2.gz GFDZBQSDSUDSCS-INIZCTEOSA-N 0 3 280.346 3.687 20 30 CHEDHN C=CCN[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000537052268 330395054 /nfs/dbraw/zinc/39/50/54/330395054.db2.gz ZENVMBXFTRBEOL-ZDUSSCGKSA-N 0 3 275.392 3.853 20 30 CHEDHN C=CCN[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000537052267 330395116 /nfs/dbraw/zinc/39/51/16/330395116.db2.gz ZENVMBXFTRBEOL-CYBMUJFWSA-N 0 3 275.392 3.853 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCCc3sccc32)c1 ZINC000093688002 330424361 /nfs/dbraw/zinc/42/43/61/330424361.db2.gz MVZCUYWLXSVLFD-CYBMUJFWSA-N 0 3 274.414 3.848 20 30 CHEDHN C=CCCCCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000515366731 330476109 /nfs/dbraw/zinc/47/61/09/330476109.db2.gz PERRCRGHSLIHLZ-KRWDZBQOSA-N 0 3 287.382 3.595 20 30 CHEDHN C[C@H](NC[C@H]1OCCc2ccccc21)c1ccc(C#N)cc1 ZINC000315570985 330477968 /nfs/dbraw/zinc/47/79/68/330477968.db2.gz KGRMHORKODSEPS-IFXJQAMLSA-N 0 3 292.382 3.523 20 30 CHEDHN C=CCCCCNCc1nc2ccc(F)cc2s1 ZINC000428865013 330533331 /nfs/dbraw/zinc/53/33/31/330533331.db2.gz FMTYTNAGKJWDSM-UHFFFAOYSA-N 0 3 264.369 3.881 20 30 CHEDHN CC(C)(NCCOc1cccc(C#N)c1)c1ccccc1F ZINC000429264644 330541240 /nfs/dbraw/zinc/54/12/40/330541240.db2.gz NGYMLHODDIKRKZ-UHFFFAOYSA-N 0 3 298.361 3.601 20 30 CHEDHN C[C@@H](Nc1cccc(F)c1C#N)[C@H](c1ccccc1)N(C)C ZINC000439126444 330734270 /nfs/dbraw/zinc/73/42/70/330734270.db2.gz ATHVFMFRYNGISV-FZKQIMNGSA-N 0 3 297.377 3.801 20 30 CHEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OC(C)C)c1 ZINC000442763141 330781518 /nfs/dbraw/zinc/78/15/18/330781518.db2.gz AOOHVHQYFFKMTC-ZBFHGGJFSA-N 0 3 272.392 3.564 20 30 CHEDHN CC[C@@H](NCCOc1ccccc1)c1ccc(C#N)cc1 ZINC000447513517 330867434 /nfs/dbraw/zinc/86/74/34/330867434.db2.gz WYMYFOCZCCPKOJ-GOSISDBHSA-N 0 3 280.371 3.678 20 30 CHEDHN C=CC[C@H](C)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000447581231 330871094 /nfs/dbraw/zinc/87/10/94/330871094.db2.gz SLEQMSHLXFFRQX-AAEUAGOBSA-N 0 3 291.391 3.696 20 30 CHEDHN CC[C@H](CC#N)NC1CCC(OC2CCCC2)CC1 ZINC000449241652 330908976 /nfs/dbraw/zinc/90/89/76/330908976.db2.gz BUCYVLTZERWDPU-VQCLRJIVSA-N 0 3 264.413 3.539 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCc3c(F)cccc32)C1 ZINC000449351722 330917617 /nfs/dbraw/zinc/91/76/17/330917617.db2.gz QYURASZBWZAAKE-IGCXYCKISA-N 0 3 272.367 3.875 20 30 CHEDHN C=C(C)CCNCc1ccccc1OCc1ccccn1 ZINC000449472970 330928574 /nfs/dbraw/zinc/92/85/74/330928574.db2.gz GTBLMFOFPODOKT-UHFFFAOYSA-N 0 3 282.387 3.716 20 30 CHEDHN C=C(CC)CNCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000449730654 330946103 /nfs/dbraw/zinc/94/61/03/330946103.db2.gz FVYGRMQLJNHIGZ-UHFFFAOYSA-N 0 3 287.382 3.684 20 30 CHEDHN C=C[C@@H]1CCCCN1CCCC(=O)c1ccccc1 ZINC000450884701 331004722 /nfs/dbraw/zinc/00/47/22/331004722.db2.gz SRRXLCDTGJXAJZ-MRXNPFEDSA-N 0 3 257.377 3.690 20 30 CHEDHN C=CCCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451015339 331011842 /nfs/dbraw/zinc/01/18/42/331011842.db2.gz JMYSNRLBOSONTM-AWEZNQCLSA-N 0 3 275.783 3.929 20 30 CHEDHN C=C(CC)CN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451303807 331023795 /nfs/dbraw/zinc/02/37/95/331023795.db2.gz HFCAYPVOYQUMPV-CQSZACIVSA-N 0 3 287.325 3.685 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000163515631 331049597 /nfs/dbraw/zinc/04/95/97/331049597.db2.gz SMNATLXIKNQWIU-INIZCTEOSA-N 0 3 291.435 3.965 20 30 CHEDHN C=C(C)COCCN[C@H]1CCSc2c(F)cccc21 ZINC000163513006 331049635 /nfs/dbraw/zinc/04/96/35/331049635.db2.gz HKDRKOLAXVYCNC-AWEZNQCLSA-N 0 3 281.396 3.545 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453317281 331115785 /nfs/dbraw/zinc/11/57/85/331115785.db2.gz LDCWDBWQVQEOPW-AWEZNQCLSA-N 0 3 269.392 3.704 20 30 CHEDHN CC[C@@H](NCc1cnccc1C)c1ccc(C#N)cc1 ZINC000453326812 331117206 /nfs/dbraw/zinc/11/72/06/331117206.db2.gz NXMOJTKUASZPSF-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1ccc(F)cc1F ZINC000453340638 331119052 /nfs/dbraw/zinc/11/90/52/331119052.db2.gz HVZLPYOUVACNKW-OAGGEKHMSA-N 0 3 281.346 3.739 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1nccc2ccccc21 ZINC000453356400 331121772 /nfs/dbraw/zinc/12/17/72/331121772.db2.gz OEHLOGCVSGKRMQ-XKQJLSEDSA-N 0 3 282.387 3.619 20 30 CHEDHN COCC1(CN[C@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000453373895 331124470 /nfs/dbraw/zinc/12/44/70/331124470.db2.gz HGMFRJQGWKZDMM-CYBMUJFWSA-N 0 3 290.382 3.555 20 30 CHEDHN C=C(CC)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000453373323 331124508 /nfs/dbraw/zinc/12/45/08/331124508.db2.gz SLWSQLPESCRNDG-CYBMUJFWSA-N 0 3 251.370 3.918 20 30 CHEDHN C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000453392024 331127477 /nfs/dbraw/zinc/12/74/77/331127477.db2.gz UCVYXGGDXBDUKE-SGTLLEGYSA-N 0 3 280.346 3.720 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(OC)c1 ZINC000453395138 331127826 /nfs/dbraw/zinc/12/78/26/331127826.db2.gz XDLBEVMOWLFXGW-GOSISDBHSA-N 0 3 298.361 3.947 20 30 CHEDHN CC[C@@H]1CC[C@H](C)N(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000456816045 331205548 /nfs/dbraw/zinc/20/55/48/331205548.db2.gz FTHWIUCJFSKZJK-JZXOWHBKSA-N 0 3 298.430 3.796 20 30 CHEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458260809 331246597 /nfs/dbraw/zinc/24/65/97/331246597.db2.gz IJIJOKQTYNETOP-QGZVFWFLSA-N 0 3 274.408 3.597 20 30 CHEDHN C=CC[C@@H](CC)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459531470 331286132 /nfs/dbraw/zinc/28/61/32/331286132.db2.gz MONOVOHECIIEBK-GFCCVEGCSA-N 0 3 283.799 3.889 20 30 CHEDHN C=CCC[C@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000459628119 331291050 /nfs/dbraw/zinc/29/10/50/331291050.db2.gz CORNVZJOLUSNGI-WDEREUQCSA-N 0 3 250.411 3.637 20 30 CHEDHN C=CCC[C@@H](NC[C@@](C)(OC)C1CC1)c1ccco1 ZINC000462815409 331330627 /nfs/dbraw/zinc/33/06/27/331330627.db2.gz CZALBZXBIPQABK-GDBMZVCRSA-N 0 3 263.381 3.692 20 30 CHEDHN C=C(C)[C@H](NCC1(COC)CCC1)c1ccc(F)c(F)c1 ZINC000463204573 331342253 /nfs/dbraw/zinc/34/22/53/331342253.db2.gz RGTUJDLHZUVITM-INIZCTEOSA-N 0 3 295.373 3.988 20 30 CHEDHN CC1(C)C[C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000471581779 331511087 /nfs/dbraw/zinc/51/10/87/331511087.db2.gz KTWYCUZGIKKVFL-XEZPLFJOSA-N 0 3 254.377 3.691 20 30 CHEDHN C=CCC[C@H](O)CN1CCC(=Cc2ccccc2F)CC1 ZINC000472955308 331545575 /nfs/dbraw/zinc/54/55/75/331545575.db2.gz QFYQULBWSYSHFV-KRWDZBQOSA-N 0 3 289.394 3.632 20 30 CHEDHN Cc1cc(CNC(C)(C)c2ccccc2)ccc1C#N ZINC000487865560 331982444 /nfs/dbraw/zinc/98/24/44/331982444.db2.gz ZXWGNEHGGKOMGG-UHFFFAOYSA-N 0 3 264.372 3.892 20 30 CHEDHN Cc1cc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)ccc1C#N ZINC000488979840 332036442 /nfs/dbraw/zinc/03/64/42/332036442.db2.gz LCNRRGNZVZSRHI-UHFFFAOYSA-N 0 3 296.418 3.519 20 30 CHEDHN CC(C)C[C@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000489570737 332059690 /nfs/dbraw/zinc/05/96/90/332059690.db2.gz XMCXFBQBZJOUQY-MRXNPFEDSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1cc(C(C#N)C(=O)c2cccc(Cl)c2C)nc(C)n1 ZINC000489882321 332071699 /nfs/dbraw/zinc/07/16/99/332071699.db2.gz HBXUUQDWOQBCTK-CYBMUJFWSA-N 0 3 299.761 3.545 20 30 CHEDHN CC(C)N(CC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000491195051 332163654 /nfs/dbraw/zinc/16/36/54/332163654.db2.gz GWFDEYBNHFNPFI-UHFFFAOYSA-N 0 3 299.418 3.540 20 30 CHEDHN C#C[C@@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000491819409 332369368 /nfs/dbraw/zinc/36/93/68/332369368.db2.gz NVIXWOJYHQJOOE-GUYJKWIASA-N 0 3 277.795 3.560 20 30 CHEDHN CC#CCCNCc1cccc(OC2CCCC2)c1 ZINC000499208969 332582526 /nfs/dbraw/zinc/58/25/26/332582526.db2.gz DASJETHKYOFLGG-UHFFFAOYSA-N 0 3 257.377 3.511 20 30 CHEDHN C=CCCCCCN[C@H](CO)c1cccc(Cl)c1F ZINC000499936512 332596038 /nfs/dbraw/zinc/59/60/38/332596038.db2.gz ACBJZIGDIISARB-CQSZACIVSA-N 0 3 285.790 3.849 20 30 CHEDHN C=CCN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500159033 332600919 /nfs/dbraw/zinc/60/09/19/332600919.db2.gz ZPWKXJGSRMXSFG-UHFFFAOYSA-N 0 3 253.748 3.787 20 30 CHEDHN Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000248708576 334314466 /nfs/dbraw/zinc/31/44/66/334314466.db2.gz AZTUWXRPDJUIJQ-GUTXKFCHSA-N 0 3 287.363 3.636 20 30 CHEDHN C=CC[C@H](CC)N[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000500815944 332619543 /nfs/dbraw/zinc/61/95/43/332619543.db2.gz NDLWMGYIDQBAGD-DLBZAZTESA-N 0 3 288.435 3.540 20 30 CHEDHN C=C(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512370897 332965096 /nfs/dbraw/zinc/96/50/96/332965096.db2.gz ZDQWUJUKVNPWCB-UHFFFAOYSA-N 0 3 288.372 3.989 20 30 CHEDHN C[C@H](NCCC1CCCC1)c1ccc(C#N)cc1F ZINC000512613008 332975825 /nfs/dbraw/zinc/97/58/25/332975825.db2.gz QUHNLAKFPBBWDC-LBPRGKRZSA-N 0 3 260.356 3.928 20 30 CHEDHN CC(C)CC[C@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305826410 333000451 /nfs/dbraw/zinc/00/04/51/333000451.db2.gz RDTPRJGKRCTERT-GUYCJALGSA-N 0 3 292.398 3.535 20 30 CHEDHN CO[C@H](C)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000513253007 333011123 /nfs/dbraw/zinc/01/11/23/333011123.db2.gz RTYMESUCXNOZEQ-OAHLLOKOSA-N 0 3 294.398 3.692 20 30 CHEDHN C=CCCCCCN[C@H](C)c1c(F)cncc1F ZINC000513267055 333011575 /nfs/dbraw/zinc/01/15/75/333011575.db2.gz NXXGSSAWOROEAG-LLVKDONJSA-N 0 3 254.324 3.757 20 30 CHEDHN C=CCCCC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000175099602 333014714 /nfs/dbraw/zinc/01/47/14/333014714.db2.gz UNPBCEQSFKCPMF-KRWDZBQOSA-N 0 3 288.435 3.542 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccsc1 ZINC000404669239 333020732 /nfs/dbraw/zinc/02/07/32/333020732.db2.gz BSIGWTVWQZGULJ-HNNXBMFYSA-N 0 3 274.364 4.000 20 30 CHEDHN N#Cc1cccc(CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000513461064 333020906 /nfs/dbraw/zinc/02/09/06/333020906.db2.gz KCHNHMRZUAVAGN-KRWDZBQOSA-N 0 3 280.346 3.687 20 30 CHEDHN CCOc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000404865738 333030966 /nfs/dbraw/zinc/03/09/66/333030966.db2.gz ZTWJJTIXSAVWBG-CYBMUJFWSA-N 0 3 298.361 3.947 20 30 CHEDHN C=CCC[C@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccco1 ZINC000513707397 333034035 /nfs/dbraw/zinc/03/40/35/333034035.db2.gz CDQCHAYKBDFPMA-KBPBESRZSA-N 0 3 293.407 3.997 20 30 CHEDHN C=CCOCCN[C@@H](C)c1oc2ccccc2c1C ZINC000311989109 333075429 /nfs/dbraw/zinc/07/54/29/333075429.db2.gz VFLKYPDWOFFAJZ-ZDUSSCGKSA-N 0 3 259.349 3.594 20 30 CHEDHN C[C@H](NCC1(C#N)CC1)C1CCC(C(F)(F)F)CC1 ZINC000517272734 333096539 /nfs/dbraw/zinc/09/65/39/333096539.db2.gz YJKCRBCFXXTETB-UNXYVOJBSA-N 0 3 274.330 3.637 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1ccc(C#N)cn1 ZINC000517387278 333098568 /nfs/dbraw/zinc/09/85/68/333098568.db2.gz BEBDDPXIJJESNB-CRAIPNDOSA-N 0 3 291.398 3.721 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)cn1 ZINC000517387281 333098600 /nfs/dbraw/zinc/09/86/00/333098600.db2.gz BEBDDPXIJJESNB-YJBOKZPZSA-N 0 3 291.398 3.721 20 30 CHEDHN CC(C)(C)OCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000521144250 333112550 /nfs/dbraw/zinc/11/25/50/333112550.db2.gz XKQSFUMGFZGBRF-KRWDZBQOSA-N 0 3 286.419 3.730 20 30 CHEDHN Cc1cccc2c1ncc(C)c2N1CCC(C#N)CC1 ZINC000185284599 333138085 /nfs/dbraw/zinc/13/80/85/333138085.db2.gz MPNSTGNKUHWQAF-UHFFFAOYSA-N 0 3 265.360 3.592 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2nccs2)C1 ZINC000187669609 333173711 /nfs/dbraw/zinc/17/37/11/333173711.db2.gz QHXLMGOATICDMG-CJNGLKHVSA-N 0 3 297.427 3.955 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(F)cc1 ZINC000194972704 333280470 /nfs/dbraw/zinc/28/04/70/333280470.db2.gz LZDLQHPQSBHLKY-CYBMUJFWSA-N 0 3 268.335 3.890 20 30 CHEDHN N#Cc1ccc(CNCCCC2CCCC2)c(F)c1 ZINC000227595561 333286642 /nfs/dbraw/zinc/28/66/42/333286642.db2.gz NWMGDGCGXZIFBT-UHFFFAOYSA-N 0 3 260.356 3.757 20 30 CHEDHN CC(C#N)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000522995843 333303910 /nfs/dbraw/zinc/30/39/10/333303910.db2.gz MTTNXVVIRYRVNB-OAHLLOKOSA-N 0 3 284.403 3.554 20 30 CHEDHN C=CCN(CCN1CCCCC1)Cc1ccc(Cl)s1 ZINC000523020622 333305090 /nfs/dbraw/zinc/30/50/90/333305090.db2.gz XREAADDFIKVBIC-UHFFFAOYSA-N 0 3 298.883 3.875 20 30 CHEDHN CC(C)C1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000229751077 333309278 /nfs/dbraw/zinc/30/92/78/333309278.db2.gz FGOLACKILMLQAH-UHFFFAOYSA-N 0 3 260.356 3.565 20 30 CHEDHN C=CC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000523606618 333333871 /nfs/dbraw/zinc/33/38/71/333333871.db2.gz IEYKKNRNKWYVHE-UHFFFAOYSA-N 0 3 286.350 3.879 20 30 CHEDHN CC(C)Cc1ccc([C@@H](NC(=O)C(C)C#N)C2CC2)cc1 ZINC000524071038 333352766 /nfs/dbraw/zinc/35/27/66/333352766.db2.gz XPEMEDYOYZRNJB-CXAGYDPISA-N 0 3 284.403 3.612 20 30 CHEDHN CCC(CC)(CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000524070618 333352784 /nfs/dbraw/zinc/35/27/84/333352784.db2.gz JNVKPCXDOYNCAO-LBPRGKRZSA-N 0 3 292.810 3.674 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000315615006 333382763 /nfs/dbraw/zinc/38/27/63/333382763.db2.gz VNJZTMOZPPERLV-OLZOCXBDSA-N 0 3 295.342 3.878 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(C#N)cc1F ZINC000524757308 333387176 /nfs/dbraw/zinc/38/71/76/333387176.db2.gz JSZJAAJQMZHZIO-MRRJBJDNSA-N 0 3 272.367 3.850 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000525122483 333399136 /nfs/dbraw/zinc/39/91/36/333399136.db2.gz HJCVALJTGHCWBG-CHWSQXEVSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCC1(NCc2ncccc2Cl)CCCC1 ZINC000528548214 333445765 /nfs/dbraw/zinc/44/57/65/333445765.db2.gz AWLJBTRIYKLUBV-UHFFFAOYSA-N 0 3 250.773 3.714 20 30 CHEDHN C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000173925100 335143716 /nfs/dbraw/zinc/14/37/16/335143716.db2.gz LOFIIFKBZXZSDZ-RLFYNMQTSA-N 0 3 286.419 3.804 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccccc1Cl ZINC000125613860 333568402 /nfs/dbraw/zinc/56/84/02/333568402.db2.gz LGYONWPLIKAWIC-LBPRGKRZSA-N 0 3 253.773 3.583 20 30 CHEDHN C[C@H](NCCOC1CCCCCC1)c1ccc(C#N)cc1 ZINC000174110435 335148343 /nfs/dbraw/zinc/14/83/43/335148343.db2.gz KTGXETCSJDWYFI-HNNXBMFYSA-N 0 3 286.419 3.948 20 30 CHEDHN CC#CCN[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000539253216 333663298 /nfs/dbraw/zinc/66/32/98/333663298.db2.gz CMUUPRPUOCAITH-CQSZACIVSA-N 0 3 287.403 3.691 20 30 CHEDHN CC(C)(C#N)CCN1CCC(c2ccccc2F)CC1 ZINC000539568514 333679198 /nfs/dbraw/zinc/67/91/98/333679198.db2.gz IQPZTHGYTCFHMI-UHFFFAOYSA-N 0 3 274.383 3.945 20 30 CHEDHN Cc1cccnc1[C@H](NCc1ccc(CC#N)cc1)C(C)C ZINC000543140282 333860250 /nfs/dbraw/zinc/86/02/50/333860250.db2.gz SMFJICYOFKCINO-GOSISDBHSA-N 0 3 293.414 3.943 20 30 CHEDHN C=CC[C@H](CC)NCc1cc2ccccc2nc1OC ZINC000545992778 334011088 /nfs/dbraw/zinc/01/10/88/334011088.db2.gz AUUAGFGPQRKHPO-HNNXBMFYSA-N 0 3 270.376 3.688 20 30 CHEDHN C=CCC[C@@H]([NH2+]Cc1ncccc1[O-])c1ccccc1 ZINC000564301208 334022007 /nfs/dbraw/zinc/02/20/07/334022007.db2.gz IPKRASWEZXTUMQ-OAHLLOKOSA-N 0 3 268.360 3.584 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](C)c1oc2ccc(C)cc2c1CC ZINC000546685957 334045476 /nfs/dbraw/zinc/04/54/76/334045476.db2.gz FTUGZTOHTHYVLU-KGLIPLIRSA-N 0 3 287.403 3.891 20 30 CHEDHN C=CCCN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133754636 334053746 /nfs/dbraw/zinc/05/37/46/334053746.db2.gz LFEFBMYFEIIYDS-INIZCTEOSA-N 0 3 272.779 3.990 20 30 CHEDHN CC[C@@H](CNCc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000236987003 334079026 /nfs/dbraw/zinc/07/90/26/334079026.db2.gz ZYSFUZCKCLQSQM-KRWDZBQOSA-N 0 3 298.361 3.645 20 30 CHEDHN C=C(C)COCCNCc1cnc(-c2cccs2)s1 ZINC000134506627 334092520 /nfs/dbraw/zinc/09/25/20/334092520.db2.gz RFJZQDCDHIWFNL-UHFFFAOYSA-N 0 3 294.445 3.554 20 30 CHEDHN C=CC[C@H](C)NCc1cc(Cl)ccc1OC(F)F ZINC000134747839 334102930 /nfs/dbraw/zinc/10/29/30/334102930.db2.gz XEBBQSOTWXUWBS-VIFPVBQESA-N 0 3 275.726 3.996 20 30 CHEDHN CCC(C)(C)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000548799173 334174757 /nfs/dbraw/zinc/17/47/57/334174757.db2.gz MKXXUEKBKBAQOS-UHFFFAOYSA-N 0 3 285.435 3.765 20 30 CHEDHN CO[C@H](CN1CCC(CC#N)CC1)c1ccc(Cl)cc1 ZINC000549133735 334185873 /nfs/dbraw/zinc/18/58/73/334185873.db2.gz LHMUBRVNXCPLFY-MRXNPFEDSA-N 0 3 292.810 3.653 20 30 CHEDHN C=CCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000549345759 334190628 /nfs/dbraw/zinc/19/06/28/334190628.db2.gz RPTUAIHETVLKAA-HNNXBMFYSA-N 0 3 274.408 3.610 20 30 CHEDHN C[C@H](C#N)CN[C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000549378227 334191736 /nfs/dbraw/zinc/19/17/36/334191736.db2.gz NZLMAQYCGVSNML-NEPJUHHUSA-N 0 3 284.325 3.776 20 30 CHEDHN COC1(CCN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCC1 ZINC000549464356 334194609 /nfs/dbraw/zinc/19/46/09/334194609.db2.gz WYDFWGIGSQXVQU-ROUUACIJSA-N 0 3 298.430 3.717 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CCCC2 ZINC000549552545 334197724 /nfs/dbraw/zinc/19/77/24/334197724.db2.gz BCRLIZVCVIXACX-HBUWYVDXSA-N 0 3 268.404 3.908 20 30 CHEDHN CC1(C)CN(CC#Cc2ccc(F)cc2)[C@H]2CCC[C@@H]21 ZINC000550433080 334222436 /nfs/dbraw/zinc/22/24/36/334222436.db2.gz DDSLQFWRMJJXTL-IRXDYDNUSA-N 0 3 271.379 3.688 20 30 CHEDHN CC1(C)CN(CC#Cc2ccc(F)cc2)[C@H]2CCC[C@H]21 ZINC000550433081 334222486 /nfs/dbraw/zinc/22/24/86/334222486.db2.gz DDSLQFWRMJJXTL-SJORKVTESA-N 0 3 271.379 3.688 20 30 CHEDHN N#Cc1cccc(C2(NC/C=C\c3ccccc3)CC2)c1 ZINC000551580677 334254940 /nfs/dbraw/zinc/25/49/40/334254940.db2.gz TYQIAWFDBCAZHT-UITAMQMPSA-N 0 3 274.367 3.850 20 30 CHEDHN C=CCC[C@H](NCc1ccn(Cc2ccccc2)n1)C1CC1 ZINC000551813546 334262896 /nfs/dbraw/zinc/26/28/96/334262896.db2.gz VWXRVVZCWPVIAJ-IBGZPJMESA-N 0 3 295.430 3.766 20 30 CHEDHN Cc1cc(Cl)cc(CN2CCC(CC#N)CC2)c1 ZINC000552161307 334297015 /nfs/dbraw/zinc/29/70/15/334297015.db2.gz DLEBTHWWYGTDEI-UHFFFAOYSA-N 0 3 262.784 3.774 20 30 CHEDHN COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000248733139 334315128 /nfs/dbraw/zinc/31/51/28/334315128.db2.gz MPYOABQGSQPGLO-WQVCFCJDSA-N 0 3 292.810 3.699 20 30 CHEDHN CC(C)CC[C@@H]1CCC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000249093591 334327283 /nfs/dbraw/zinc/32/72/83/334327283.db2.gz TTXJMFFZCNYEJV-PMPSAXMXSA-N 0 3 261.413 3.624 20 30 CHEDHN C=CCCCN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000552978176 334354255 /nfs/dbraw/zinc/35/42/55/334354255.db2.gz DJOZFLFSFLFBTN-AWEZNQCLSA-N 0 3 287.325 3.949 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cc(Cl)ccc1OC ZINC000090883617 334368992 /nfs/dbraw/zinc/36/89/92/334368992.db2.gz QMFDAIPWXZVEQX-GFCCVEGCSA-N 0 3 283.799 3.592 20 30 CHEDHN C[C@H](NC/C=C\c1ccccc1)c1cccc(C#N)c1 ZINC000254978012 334497365 /nfs/dbraw/zinc/49/73/65/334497365.db2.gz YWNCCHLHWULXPH-MLBQELRYSA-N 0 3 262.356 3.922 20 30 CHEDHN C=CCOc1ccc(CNC[C@@]2(C)CCCO2)cc1Cl ZINC000152893039 334522299 /nfs/dbraw/zinc/52/22/99/334522299.db2.gz VWNQIBHNMZEUGM-MRXNPFEDSA-N 0 3 295.810 3.564 20 30 CHEDHN C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000271426773 334743604 /nfs/dbraw/zinc/74/36/04/334743604.db2.gz CVEFAZHLJSDQMO-KUHUBIRLSA-N 0 3 292.382 3.927 20 30 CHEDHN C=CCC[C@H](CCC)N[C@H](COC)c1ccco1 ZINC000156729670 334748512 /nfs/dbraw/zinc/74/85/12/334748512.db2.gz HNOLYXTYFMIGIW-UONOGXRCSA-N 0 3 251.370 3.692 20 30 CHEDHN C=CCC(C)(C)CN[C@H](C)c1cn2ccccc2n1 ZINC000568238196 334807317 /nfs/dbraw/zinc/80/73/17/334807317.db2.gz PDERZACMPGLKIU-CYBMUJFWSA-N 0 3 257.381 3.587 20 30 CHEDHN C=CCC1(NC(=O)Nc2ccc3c(c2)CNC3)CCCCC1 ZINC000576567731 335219578 /nfs/dbraw/zinc/21/95/78/335219578.db2.gz MUPQJPSGCNTJBS-UHFFFAOYSA-N 0 3 299.418 3.690 20 30 CHEDHN C=CCC[C@H](NCCOCC1CCC1)c1ccco1 ZINC000580543202 335269935 /nfs/dbraw/zinc/26/99/35/335269935.db2.gz QMAALPVWVFQGCK-HNNXBMFYSA-N 0 3 263.381 3.693 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000580691335 335327987 /nfs/dbraw/zinc/32/79/87/335327987.db2.gz BCLYUHOVSQPYHH-GJZGRUSLSA-N 0 3 274.795 3.869 20 30 CHEDHN CC[C@H](CNCc1ccc(C#N)cc1)Oc1ccccc1F ZINC000176990604 335352127 /nfs/dbraw/zinc/35/21/27/335352127.db2.gz DMENZTWXUXWJPG-MRXNPFEDSA-N 0 3 298.361 3.645 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000577815973 335404242 /nfs/dbraw/zinc/40/42/42/335404242.db2.gz DXCKUVAQYIQLLO-UXIGCNINSA-N 0 3 262.784 3.725 20 30 CHEDHN C[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)cc1 ZINC000179395028 335491562 /nfs/dbraw/zinc/49/15/62/335491562.db2.gz XCOCRGSVJBWHCS-LIRRHRJNSA-N 0 3 276.383 3.971 20 30 CHEDHN COc1cccc(F)c1[C@@H](C)NCCCC(C)(C)C#N ZINC000179898394 335530123 /nfs/dbraw/zinc/53/01/23/335530123.db2.gz BCIJHOBSZGUMKI-GFCCVEGCSA-N 0 3 278.371 3.815 20 30 CHEDHN N#CCSCCCNC1(c2ccc(F)cc2F)CCC1 ZINC000179994298 335539115 /nfs/dbraw/zinc/53/91/15/335539115.db2.gz YVAGQNFVTFBEJL-UHFFFAOYSA-N 0 3 296.386 3.580 20 30 CHEDHN COc1cc(CNCc2c(C)cc(C)cc2C)ccc1C#N ZINC000580803760 335968300 /nfs/dbraw/zinc/96/83/00/335968300.db2.gz QAVKMHKVCIRKHP-UHFFFAOYSA-N 0 3 294.398 3.782 20 30 CHEDHN CCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000581220992 336026298 /nfs/dbraw/zinc/02/62/98/336026298.db2.gz NJRXIKILWWSEMC-LJQANCHMSA-N 0 3 292.382 3.734 20 30 CHEDHN C=CCCCCN[C@@H](C)c1ccc(OC)cc1F ZINC000381141135 336051792 /nfs/dbraw/zinc/05/17/92/336051792.db2.gz DLRMIRKVDINWCL-LBPRGKRZSA-N 0 3 251.345 3.841 20 30 CHEDHN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(C#N)s1 ZINC000334831760 534063876 /nfs/dbraw/zinc/06/38/76/534063876.db2.gz RQKNMOCMAGZINH-HWPZZCPQSA-N 0 3 286.375 3.782 20 30 CHEDHN Cc1cc2cc(CNCc3cc(C#N)cs3)ccc2[nH]1 ZINC000353127639 534091368 /nfs/dbraw/zinc/09/13/68/534091368.db2.gz PQOQDZUAZPPTFQ-UHFFFAOYSA-N 0 3 281.384 3.699 20 30 CHEDHN N#C[C@H]1CC[C@H](N[C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000449353143 518196385 /nfs/dbraw/zinc/19/63/85/518196385.db2.gz YLULOCITTDLVGP-PKWAYOAASA-N 0 3 276.330 3.624 20 30 CHEDHN N#Cc1cccc(CNCc2cc(Cl)cs2)c1 ZINC000093094621 518196698 /nfs/dbraw/zinc/19/66/98/518196698.db2.gz DOGATZCRPJKOGF-UHFFFAOYSA-N 0 3 262.765 3.563 20 30 CHEDHN CCN(Cc1cccs1)Cc1cccc(C#N)c1 ZINC000042211403 521407490 /nfs/dbraw/zinc/40/74/90/521407490.db2.gz LZHUNWLJUJIGKF-UHFFFAOYSA-N 0 3 256.374 3.642 20 30 CHEDHN CCN(Cc1ccncc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000130284836 521422277 /nfs/dbraw/zinc/42/22/77/521422277.db2.gz BJDBJGUQXZEKBW-AWEZNQCLSA-N 0 3 265.360 3.536 20 30 CHEDHN N#CCCCNCc1ccc(F)c(-c2cccs2)c1 ZINC000344363014 534613027 /nfs/dbraw/zinc/61/30/27/534613027.db2.gz SIEOMRMXXFBLLF-UHFFFAOYSA-N 0 3 274.364 3.948 20 30 CHEDHN CC[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278175731 522647952 /nfs/dbraw/zinc/64/79/52/522647952.db2.gz CXODGYJBMSOWIM-IBGZPJMESA-N 0 3 293.414 3.865 20 30 CHEDHN CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1[O-] ZINC000274786599 522810049 /nfs/dbraw/zinc/81/00/49/522810049.db2.gz QKFMLLGYNUONMW-QGZVFWFLSA-N 0 3 292.382 3.994 20 30 CHEDHN CC[C@@H](NCc1ccc(COC)cc1)c1ccc(C#N)cc1 ZINC000278336816 522875926 /nfs/dbraw/zinc/87/59/26/522875926.db2.gz XCBRRSKHQJGVKW-LJQANCHMSA-N 0 3 294.398 3.946 20 30 CHEDHN CN(Cc1ccc(C#N)o1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000289983072 523212723 /nfs/dbraw/zinc/21/27/23/523212723.db2.gz BSSKMILQPPGECH-PHIMTYICSA-N 0 3 286.297 3.704 20 30 CHEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000338563981 523540137 /nfs/dbraw/zinc/54/01/37/523540137.db2.gz OVEJJEUCTFTXFS-UGSOOPFHSA-N 0 3 298.361 3.736 20 30 CHEDHN Cc1csc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000344620972 534820101 /nfs/dbraw/zinc/82/01/01/534820101.db2.gz ZPQWNIDHJWLYTO-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN N#Cc1csc(CNCCc2ccc3ccccc3n2)c1 ZINC000343938708 534829071 /nfs/dbraw/zinc/82/90/71/534829071.db2.gz ZHCPUBABNGPQTC-UHFFFAOYSA-N 0 3 293.395 3.500 20 30 CHEDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000036991902 525162021 /nfs/dbraw/zinc/16/20/21/525162021.db2.gz IUJIAHWLPOAMPE-ZIAGYGMSSA-N 0 3 280.371 3.979 20 30 CHEDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000036991945 525362066 /nfs/dbraw/zinc/36/20/66/525362066.db2.gz QABSILZTXCHSQM-UONOGXRCSA-N 0 3 280.371 3.984 20 30 CHEDHN C[C@H](N[C@H]1CCc2c1cccc2O)c1cccc(C#N)c1 ZINC000135043728 525630598 /nfs/dbraw/zinc/63/05/98/525630598.db2.gz YYCVRKNYCUNRKF-SJCJKPOMSA-N 0 3 278.355 3.602 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OC(C)(C)C)CC1 ZINC000275071993 526068543 /nfs/dbraw/zinc/06/85/43/526068543.db2.gz KQWLZQAGVCXSPN-AWEZNQCLSA-N 0 3 286.419 3.899 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](OCC2CC2)C1 ZINC000364779458 526074947 /nfs/dbraw/zinc/07/49/47/526074947.db2.gz OBXYEWZAVMUQTQ-KDOFPFPSSA-N 0 3 284.403 3.510 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cccc(C)n1 ZINC000347374494 526313360 /nfs/dbraw/zinc/31/33/60/526313360.db2.gz AAAKMXZCNWCROB-UHFFFAOYSA-N 0 3 266.388 3.621 20 30 CHEDHN N#Cc1ccc(CNC[C@@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000292942424 526623779 /nfs/dbraw/zinc/62/37/79/526623779.db2.gz HYYXOEGNZTZBFQ-IRXDYDNUSA-N 0 3 280.346 3.591 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000280420887 526625160 /nfs/dbraw/zinc/62/51/60/526625160.db2.gz ZCRDTORBXGCVPE-DZGCQCFKSA-N 0 3 284.334 3.716 20 30 CHEDHN N#Cc1ccc(OC2CCN(CCCCCF)CC2)cc1 ZINC000284141409 526670955 /nfs/dbraw/zinc/67/09/55/526670955.db2.gz OVNWCAOOTWLXRV-UHFFFAOYSA-N 0 3 290.382 3.541 20 30 CHEDHN C=C(C)[C@@H](NC[C@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000479409951 526756377 /nfs/dbraw/zinc/75/63/77/526756377.db2.gz KUWNZDVHXHHFJY-MLGOLLRUSA-N 0 3 281.346 3.598 20 30 CHEDHN C=C(CC)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352818535 526860629 /nfs/dbraw/zinc/86/06/29/526860629.db2.gz UQVQGIDUPHSFDG-AWEZNQCLSA-N 0 3 288.218 3.973 20 30 CHEDHN C=CCOc1cccc(CN2CCS[C@@H](C)[C@H]2C)c1 ZINC000353841641 526900890 /nfs/dbraw/zinc/90/08/90/526900890.db2.gz FGJCYWXBZKFHRT-KGLIPLIRSA-N 0 3 277.433 3.577 20 30 CHEDHN C=CCc1cc(CN2CCC[C@H]2CC)cc(OC)c1O ZINC000352647653 527237189 /nfs/dbraw/zinc/23/71/89/527237189.db2.gz ZPKKHINVZSDDMF-OAHLLOKOSA-N 0 3 275.392 3.504 20 30 CHEDHN C=CCCC[C@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000347635655 527296523 /nfs/dbraw/zinc/29/65/23/527296523.db2.gz LHLYUHQVMIKURC-GXTWGEPZSA-N 0 3 251.370 3.610 20 30 CHEDHN C=C[C@@H](C)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000352755673 527414537 /nfs/dbraw/zinc/41/45/37/527414537.db2.gz NEQAOPKJTNSXDE-LLVKDONJSA-N 0 3 295.308 3.555 20 30 CHEDHN C=CCC[C@@H](NCCc1csc(C)n1)c1ccco1 ZINC000353456146 527447873 /nfs/dbraw/zinc/44/78/73/527447873.db2.gz UMEMNLJDMOTJIF-CQSZACIVSA-N 0 3 276.405 3.884 20 30 CHEDHN C=CCC[C@H](NCC[C@H](OC)C(F)(F)F)c1ccco1 ZINC000353680751 527483590 /nfs/dbraw/zinc/48/35/90/527483590.db2.gz KZZDEKXODAHMQR-AAEUAGOBSA-N 0 3 291.313 3.844 20 30 CHEDHN C=CCC[C@H](NCCc1cccc(OC)n1)c1ccco1 ZINC000353536828 527484372 /nfs/dbraw/zinc/48/43/72/527484372.db2.gz YIRWQSYSXJKFQK-HNNXBMFYSA-N 0 3 286.375 3.523 20 30 CHEDHN C=CCC[C@H](NC[C@H]1CCCS1)c1ccco1 ZINC000353395648 527485111 /nfs/dbraw/zinc/48/51/11/527485111.db2.gz QMIRRUGXASJVRC-OLZOCXBDSA-N 0 3 251.395 3.772 20 30 CHEDHN C/C(=C/c1ccccc1OC(F)F)CNCCCC#N ZINC000352829282 527509382 /nfs/dbraw/zinc/50/93/82/527509382.db2.gz AEGHELRKVAJFOU-BENRWUELSA-N 0 3 280.318 3.585 20 30 CHEDHN CC1(C)C[C@H](N[C@H]2CCC[C@H](C#N)C2)c2cc(N)ccc2O1 ZINC000332205685 527747756 /nfs/dbraw/zinc/74/77/56/527747756.db2.gz HCWBROHVPAEZGA-NOLJZWGESA-N 0 3 299.418 3.543 20 30 CHEDHN CC(C)CC[C@H]1CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000352825505 527858747 /nfs/dbraw/zinc/85/87/47/527858747.db2.gz UGWKQRMRWBXQGB-OCCSQVGLSA-N 0 3 277.437 3.709 20 30 CHEDHN CCCN(Cc1ccc(C#N)o1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000353749570 528135620 /nfs/dbraw/zinc/13/56/20/528135620.db2.gz VNVKNHJWZXLURD-CVEARBPZSA-N 0 3 290.407 3.567 20 30 CHEDHN CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccncc1 ZINC000353271454 529203791 /nfs/dbraw/zinc/20/37/91/529203791.db2.gz YMWDHWPMXRBPOO-QZTJIDSGSA-N 0 3 277.371 3.681 20 30 CHEDHN CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccncc1 ZINC000353271453 529207886 /nfs/dbraw/zinc/20/78/86/529207886.db2.gz YMWDHWPMXRBPOO-MSOLQXFVSA-N 0 3 277.371 3.681 20 30 CHEDHN N#Cc1cc(CN[C@@H](c2cccs2)C2CC2)cs1 ZINC000921511928 1118147623 /nfs/dbraw/zinc/14/76/23/1118147623.db2.gz GAVFPGSUOPVSHV-CQSZACIVSA-N 0 3 274.414 3.922 20 30 CHEDHN Cc1cccnc1[C@H](NCc1cccc(C#N)c1)C(C)C ZINC000112637835 1125487917 /nfs/dbraw/zinc/48/79/17/1125487917.db2.gz GXYQPTHCBJRRDE-QGZVFWFLSA-N 0 3 279.387 3.749 20 30 CHEDHN C=C(Cl)CN[C@@H](C)Cc1ccc(Br)cc1 ZINC000235136764 1119291490 /nfs/dbraw/zinc/29/14/90/1119291490.db2.gz QODFBHMCUKMWPZ-JTQLQIEISA-N 0 3 288.616 3.722 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1ccccc1OC(F)F ZINC000414159384 1119920677 /nfs/dbraw/zinc/92/06/77/1119920677.db2.gz BHZHNLDMWMRYAH-NSHDSACASA-N 0 3 282.334 3.878 20 30 CHEDHN Cc1ccccc1CN(C)Cc1ccc(C#N)c(C)c1 ZINC000486789802 1125505072 /nfs/dbraw/zinc/50/50/72/1125505072.db2.gz CNKCKERISKGJOI-UHFFFAOYSA-N 0 3 264.372 3.807 20 30 CHEDHN CCN(Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000303207935 1120172974 /nfs/dbraw/zinc/17/29/74/1120172974.db2.gz QINDJMIFEVAINE-UHFFFAOYSA-N 0 3 260.356 3.852 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CNC(C)(C)/C=C/Cl)cc1 ZINC000922649820 1120572025 /nfs/dbraw/zinc/57/20/25/1120572025.db2.gz YTOCTRDGZKOHIY-IDVQTMNDSA-N 0 3 278.783 3.598 20 30 CHEDHN CCC#C[C@@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC001168757454 1121299350 /nfs/dbraw/zinc/29/93/50/1121299350.db2.gz FJOARUUVBOORGN-DYVFJYSZSA-N 0 3 259.368 3.977 20 30 CHEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCC(C)(C)C#N ZINC000611553995 1121655532 /nfs/dbraw/zinc/65/55/32/1121655532.db2.gz AOTVFDKQSOBGAX-MNOVXSKESA-N 0 3 262.319 3.589 20 30 CHEDHN CC1(C)CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC000438379295 1122695955 /nfs/dbraw/zinc/69/59/55/1122695955.db2.gz VSFQRLYEISJRLI-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@@H](O)C1CCCCC1 ZINC000473741821 1122883341 /nfs/dbraw/zinc/88/33/41/1122883341.db2.gz SEIUOLJFAWVJQT-MRXNPFEDSA-N 0 3 279.449 3.677 20 30 CHEDHN CCCCCCCCCCN1CCc2nn(C)cc2C1 ZINC001201874626 1123157051 /nfs/dbraw/zinc/15/70/51/1123157051.db2.gz AVHQSJGCGPLMGP-UHFFFAOYSA-N 0 3 277.456 3.919 20 30 CHEDHN CC1(C)CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000446062358 1124108861 /nfs/dbraw/zinc/10/88/61/1124108861.db2.gz TXTRMPKPXRCGAS-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN CC(C)CC[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000876886860 1124986591 /nfs/dbraw/zinc/98/65/91/1124986591.db2.gz BWRABTKLPDWMNG-LLVKDONJSA-N 0 3 265.788 3.521 20 30 CHEDHN N#Cc1cc(F)ccc1CN(C1CC1)C1CCCC1 ZINC000103465915 1125364028 /nfs/dbraw/zinc/36/40/28/1125364028.db2.gz QMKHKGRJRPNKPM-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN CC(C)CC1(CNCc2nc(C#N)cs2)CCCC1 ZINC000352842746 1125399467 /nfs/dbraw/zinc/39/94/67/1125399467.db2.gz VNEYXANDMFYHRI-UHFFFAOYSA-N 0 3 277.437 3.711 20 30 CHEDHN CN(Cc1cccc(Cl)c1C#N)CC1CCCC1 ZINC001139691935 1131630301 /nfs/dbraw/zinc/63/03/01/1131630301.db2.gz KGYSPEQUIQSCBD-UHFFFAOYSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCCCCCCCCCN1CC(CC(=O)OC)C1 ZINC001207899216 1133859906 /nfs/dbraw/zinc/85/99/06/1133859906.db2.gz QAKCBVGBUUTONM-UHFFFAOYSA-N 0 3 281.440 3.788 20 30 CHEDHN CCCc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000729685281 1125552518 /nfs/dbraw/zinc/55/25/18/1125552518.db2.gz CUHRZGJJBOHJNJ-UHFFFAOYSA-N 0 3 294.398 3.831 20 30 CHEDHN CC(=NN[C@@H](C)c1ccccc1)c1c(C)cc(N)cc1C ZINC000884421250 1125563859 /nfs/dbraw/zinc/56/38/59/1125563859.db2.gz PNJXEPKUSNQELA-AWEZNQCLSA-N 0 3 281.403 3.960 20 30 CHEDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(C#N)cc1 ZINC000295771414 1125626177 /nfs/dbraw/zinc/62/61/77/1125626177.db2.gz AGXOLZNSWYLPTQ-WBMJQRKESA-N 0 3 278.355 3.602 20 30 CHEDHN CSc1ccc([C@H](C)NCC2(CC#N)CC2)cc1F ZINC000348356878 1125626821 /nfs/dbraw/zinc/62/68/21/1125626821.db2.gz NQVKCVGEFQBQMN-NSHDSACASA-N 0 3 278.396 3.892 20 30 CHEDHN CC(C)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000037505896 1125716936 /nfs/dbraw/zinc/71/69/36/1125716936.db2.gz WGSDYZAZBXAXGT-UHFFFAOYSA-N 0 3 264.372 3.971 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1C#N ZINC000886928550 1125726450 /nfs/dbraw/zinc/72/64/50/1125726450.db2.gz CNYJQTMXUKPVBK-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN C#CC1CCN(Cc2cc(Cl)ccc2SC)CC1 ZINC001238679536 1131231410 /nfs/dbraw/zinc/23/14/10/1131231410.db2.gz DLSGKRWKAFSFIL-UHFFFAOYSA-N 0 3 279.836 3.907 20 30 CHEDHN C=CCC(C)(C)CNCc1csc(-c2ccccn2)n1 ZINC000292930604 1129210500 /nfs/dbraw/zinc/21/05/00/1129210500.db2.gz IYCRYVXELLTLCP-UHFFFAOYSA-N 0 3 287.432 3.897 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000138870123 1126747211 /nfs/dbraw/zinc/74/72/11/1126747211.db2.gz QBTBRRROUUTVQP-GOSISDBHSA-N 0 3 278.355 3.601 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC)cc2)cc1 ZINC000150997044 1126749084 /nfs/dbraw/zinc/74/90/84/1126749084.db2.gz VNQLJZXXLYUHHJ-OAHLLOKOSA-N 0 3 295.382 3.558 20 30 CHEDHN COCc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000174430762 1126769703 /nfs/dbraw/zinc/76/97/03/1126769703.db2.gz IPCNGSBGFSJDOY-AWEZNQCLSA-N 0 3 280.371 3.555 20 30 CHEDHN CC(C)(C)c1csc(CNCC(C)(C)CCC#N)n1 ZINC000174359175 1126769028 /nfs/dbraw/zinc/76/90/28/1126769028.db2.gz SAYVXOBNLRBMEY-UHFFFAOYSA-N 0 3 279.453 3.860 20 30 CHEDHN C#CCN(CCCC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000174835056 1126774009 /nfs/dbraw/zinc/77/40/09/1126774009.db2.gz STYFXDZRBNPRFR-UHFFFAOYSA-N 0 3 272.367 3.591 20 30 CHEDHN Cn1cccc1[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000175122201 1126777669 /nfs/dbraw/zinc/77/76/69/1126777669.db2.gz MOKHDGXTCXLYHR-SFHVURJKSA-N 0 3 279.387 3.624 20 30 CHEDHN CN(CC#Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000483539639 1126792858 /nfs/dbraw/zinc/79/28/58/1126792858.db2.gz BNPDJWINKKZJID-LJQANCHMSA-N 0 3 261.368 3.657 20 30 CHEDHN C[C@@]1(c2ccccc2)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000483923114 1126805947 /nfs/dbraw/zinc/80/59/47/1126805947.db2.gz KQSZGBPIBPIOMG-LJQANCHMSA-N 0 3 294.373 3.861 20 30 CHEDHN CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000181806701 1126861467 /nfs/dbraw/zinc/86/14/67/1126861467.db2.gz DYGWXVRIPWUGGN-CXAGYDPISA-N 0 3 265.360 3.755 20 30 CHEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000181806407 1126862169 /nfs/dbraw/zinc/86/21/69/1126862169.db2.gz ZUWRDMRULVVRTD-GUYCJALGSA-N 0 3 265.360 3.755 20 30 CHEDHN CC1/C(=C/c2cccc(C3CCCC3)c2)C(=O)c2ncnn21 ZINC000905085063 1126889501 /nfs/dbraw/zinc/88/95/01/1126889501.db2.gz LUAZWEVTOZYFDC-YUSFRKCESA-N 0 3 293.370 3.777 20 30 CHEDHN Cc1c2ccccc2oc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185833567 1126903943 /nfs/dbraw/zinc/90/39/43/1126903943.db2.gz VQOCBIMXTLSCJB-KGLIPLIRSA-N 0 3 268.360 3.913 20 30 CHEDHN C=CCCN[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185957411 1126904774 /nfs/dbraw/zinc/90/47/74/1126904774.db2.gz CLVOWPSRJMPRCE-MRVPVSSYSA-N 0 3 264.316 3.779 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000185879571 1126905346 /nfs/dbraw/zinc/90/53/46/1126905346.db2.gz UFENXRGTXUQQKT-BJJXKVORSA-N 0 3 288.366 3.711 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000186453224 1126906588 /nfs/dbraw/zinc/90/65/88/1126906588.db2.gz VIOCRRAMJVMORM-RISCZKNCSA-N 0 3 269.360 3.677 20 30 CHEDHN C=C(C)[C@H](N[C@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000186453250 1126906877 /nfs/dbraw/zinc/90/68/77/1126906877.db2.gz VIOCRRAMJVMORM-FZMZJTMJSA-N 0 3 269.360 3.677 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cncc(C)c1 ZINC000189785331 1126934785 /nfs/dbraw/zinc/93/47/85/1126934785.db2.gz IFDJIIGTDXPHMJ-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN Cc1ccc(CN(Cc2cc(C#N)n(C)c2)C(C)C)s1 ZINC000191273495 1126949864 /nfs/dbraw/zinc/94/98/64/1126949864.db2.gz ZLIFRWJEXAJVOI-UHFFFAOYSA-N 0 3 287.432 3.677 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)cc1C#N ZINC000267579488 1127002365 /nfs/dbraw/zinc/00/23/65/1127002365.db2.gz FZBCGFMVESJKHG-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN Cc1cc(F)ccc1CN(C)CCOc1ccc(C#N)cc1 ZINC000487950528 1127049476 /nfs/dbraw/zinc/04/94/76/1127049476.db2.gz ANUSOPJFNCCKLL-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN C=CCCCCCN1CCc2c(ccc(OC)c2OC)C1 ZINC000488111853 1127057493 /nfs/dbraw/zinc/05/74/93/1127057493.db2.gz GXIXNTXXVMLFCD-UHFFFAOYSA-N 0 3 289.419 3.808 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000271170540 1127071206 /nfs/dbraw/zinc/07/12/06/1127071206.db2.gz QFGIPOQLTGHJAD-ZDUSSCGKSA-N 0 3 286.375 3.748 20 30 CHEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000912345529 1127097005 /nfs/dbraw/zinc/09/70/05/1127097005.db2.gz WFWCPFLYOCPACR-WFASDCNBSA-N 0 3 294.826 3.543 20 30 CHEDHN C[C@H](CSC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000151148415 1127122933 /nfs/dbraw/zinc/12/29/33/1127122933.db2.gz JSIAMIPMLQKULS-LLVKDONJSA-N 0 3 280.412 3.707 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000349296372 1127146342 /nfs/dbraw/zinc/14/63/42/1127146342.db2.gz FMHMXJIUINVDAF-TYNCELHUSA-N 0 3 290.794 3.836 20 30 CHEDHN CN(C/C=C/c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000571721369 1127166268 /nfs/dbraw/zinc/16/62/68/1127166268.db2.gz CQFHZKMLASHCGN-NSCUHMNNSA-N 0 3 298.336 3.982 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2c[nH]nc2c1 ZINC000351586355 1127196052 /nfs/dbraw/zinc/19/60/52/1127196052.db2.gz WNHZQBBKENGHQP-UHFFFAOYSA-N 0 3 277.371 3.751 20 30 CHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(C#N)c1 ZINC000589340432 1127217894 /nfs/dbraw/zinc/21/78/94/1127217894.db2.gz DSPZOLXBAFDMAP-ORAYPTAESA-N 0 3 287.366 3.768 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)c1ccccc1F)c1ccco1 ZINC000285916387 1127246895 /nfs/dbraw/zinc/24/68/95/1127246895.db2.gz DMTLMUYDWYRFDS-HZPDHXFCSA-N 0 3 289.350 3.749 20 30 CHEDHN C=CCSCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000285974974 1127249814 /nfs/dbraw/zinc/24/98/14/1127249814.db2.gz HILGMWZVTIGOPE-AWEZNQCLSA-N 0 3 279.453 3.540 20 30 CHEDHN Cc1n[nH]cc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000590257837 1127252870 /nfs/dbraw/zinc/25/28/70/1127252870.db2.gz KVNQRGHETDLQBM-CXAGYDPISA-N 0 3 282.391 3.804 20 30 CHEDHN Cc1n[nH]cc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000590257849 1127253076 /nfs/dbraw/zinc/25/30/76/1127253076.db2.gz KVNQRGHETDLQBM-SUMWQHHRSA-N 0 3 282.391 3.804 20 30 CHEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cs1 ZINC000590653804 1127267024 /nfs/dbraw/zinc/26/70/24/1127267024.db2.gz ZCRIJCDMVDIVGC-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000590778418 1127271107 /nfs/dbraw/zinc/27/11/07/1127271107.db2.gz AXRLWIQOPBDHAB-MSOLQXFVSA-N 0 3 277.371 3.681 20 30 CHEDHN N#CCCC[C@@H](NCc1cccnc1)c1ccccc1 ZINC000353910900 1127277905 /nfs/dbraw/zinc/27/79/05/1127277905.db2.gz AWMAVDBOLBZKSH-QGZVFWFLSA-N 0 3 265.360 3.606 20 30 CHEDHN Cc1cc(O)c(CN2CCC(C#N)CC2)cc1C(C)C ZINC000057824076 1127284469 /nfs/dbraw/zinc/28/44/69/1127284469.db2.gz FVGJCRUUNHOBOO-UHFFFAOYSA-N 0 3 272.392 3.560 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCC[C@H]1F ZINC000591252899 1127290065 /nfs/dbraw/zinc/29/00/65/1127290065.db2.gz FLQAJGHBNPJZRU-IXDOHACOSA-N 0 3 272.367 3.806 20 30 CHEDHN N#Cc1cnccc1CN[C@@H]1CCCCC12CCCC2 ZINC000592122289 1127335687 /nfs/dbraw/zinc/33/56/87/1127335687.db2.gz JZGHIDKMIGTIHT-MRXNPFEDSA-N 0 3 269.392 3.546 20 30 CHEDHN CC[C@H](NCc1ccncc1C#N)C(C)(C)c1ccccc1 ZINC000592097734 1127336086 /nfs/dbraw/zinc/33/60/86/1127336086.db2.gz JTSPVBMTWPPEDR-SFHVURJKSA-N 0 3 293.414 3.799 20 30 CHEDHN C=CCOc1ccccc1CNCCSC(F)(F)F ZINC000225637218 1127341474 /nfs/dbraw/zinc/34/14/74/1127341474.db2.gz ULKDTAZZLIBOOE-UHFFFAOYSA-N 0 3 291.338 3.594 20 30 CHEDHN C[C@H]1CCN(Cc2ccccc2C#N)CC12CCC2 ZINC000357018703 1127386904 /nfs/dbraw/zinc/38/69/04/1127386904.db2.gz BAZYIXVGLGWHAR-AWEZNQCLSA-N 0 3 254.377 3.570 20 30 CHEDHN C=CC[C@@H]1N(Cc2cnc([C@@H](C)O)s2)CCCC1(C)C ZINC000289850655 1127385046 /nfs/dbraw/zinc/38/50/46/1127385046.db2.gz VKTLJYCVBJKOLW-OCCSQVGLSA-N 0 3 294.464 3.763 20 30 CHEDHN C[C@@H]1[C@H](NCC2(C#N)CCCC2)C[C@H]1c1ccccc1 ZINC000593653276 1127392929 /nfs/dbraw/zinc/39/29/29/1127392929.db2.gz HFQMCQGTAXPGJX-USXIJHARSA-N 0 3 268.404 3.852 20 30 CHEDHN CC[C@H](Cc1cccs1)NCC1(C#N)CCCC1 ZINC000593653458 1127393418 /nfs/dbraw/zinc/39/34/18/1127393418.db2.gz LQROTIIEHAWCMA-CYBMUJFWSA-N 0 3 262.422 3.743 20 30 CHEDHN CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1F ZINC000593666828 1127394228 /nfs/dbraw/zinc/39/42/28/1127394228.db2.gz WGFQOKCYORUVSG-WWGRRREGSA-N 0 3 260.356 3.949 20 30 CHEDHN CC1(C)C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593674550 1127394752 /nfs/dbraw/zinc/39/47/52/1127394752.db2.gz XHYYDLCILAXTIA-LNSITVRQSA-N 0 3 288.366 3.710 20 30 CHEDHN CC(C)[C@@H](C#N)N1CCN(CCC2CCCCCC2)CC1 ZINC000593969071 1127404952 /nfs/dbraw/zinc/40/49/52/1127404952.db2.gz ZRZBOIUXGJABBY-GOSISDBHSA-N 0 3 291.483 3.513 20 30 CHEDHN C=CCCOCCN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000358364296 1127417796 /nfs/dbraw/zinc/41/77/96/1127417796.db2.gz IEJMNKZFHHVLEU-HNNXBMFYSA-N 0 3 295.810 3.736 20 30 CHEDHN C=C(CC)CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000358620873 1127428551 /nfs/dbraw/zinc/42/85/51/1127428551.db2.gz PTTMCHYOUDVEOB-CYBMUJFWSA-N 0 3 250.411 3.727 20 30 CHEDHN N#CC1(c2ccc(CNCc3cccc(F)c3)cc2)CC1 ZINC000594915027 1127434989 /nfs/dbraw/zinc/43/49/89/1127434989.db2.gz OPKAXAOCJJOBFO-UHFFFAOYSA-N 0 3 280.346 3.671 20 30 CHEDHN CCc1cccc2cc(CNCC3(CC#N)CC3)oc21 ZINC000594935350 1127438657 /nfs/dbraw/zinc/43/86/57/1127438657.db2.gz DCXNZAYYWYFGDR-UHFFFAOYSA-N 0 3 268.360 3.779 20 30 CHEDHN C=CCCSCCNCc1nc2ccc(F)cc2s1 ZINC000594959748 1127440543 /nfs/dbraw/zinc/44/05/43/1127440543.db2.gz BPTZAGKDIGPROO-UHFFFAOYSA-N 0 3 296.436 3.834 20 30 CHEDHN C[C@@H](CNCC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000594981700 1127443228 /nfs/dbraw/zinc/44/32/28/1127443228.db2.gz SVTYCBCUUBILNE-AWEZNQCLSA-N 0 3 274.383 3.993 20 30 CHEDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccccc2C#N)C12CCC2 ZINC000594990487 1127444353 /nfs/dbraw/zinc/44/43/53/1127444353.db2.gz ZDEPTEGAZWACJQ-IAGOWNOFSA-N 0 3 298.430 3.774 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(C(F)F)nc1 ZINC000595053607 1127451294 /nfs/dbraw/zinc/45/12/94/1127451294.db2.gz WSEQNTHJVRIJNN-SNVBAGLBSA-N 0 3 267.323 3.610 20 30 CHEDHN C[C@H]1CC[C@@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC000359311343 1127458158 /nfs/dbraw/zinc/45/81/58/1127458158.db2.gz SWGPAZWHJSBOEU-SWLSCSKDSA-N 0 3 260.406 3.632 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC000595622841 1127468500 /nfs/dbraw/zinc/46/85/00/1127468500.db2.gz DUVZQTRFKONPQM-AWEZNQCLSA-N 0 3 254.377 3.690 20 30 CHEDHN C[C@H]1CC[C@@]2(CCN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000359552284 1127466968 /nfs/dbraw/zinc/46/69/68/1127466968.db2.gz GAKFYKHYGAZWGG-SUMWQHHRSA-N 0 3 272.367 3.709 20 30 CHEDHN CCCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000595620408 1127468572 /nfs/dbraw/zinc/46/85/72/1127468572.db2.gz NHLQHEFSAAKLFB-OAHLLOKOSA-N 0 3 272.392 3.601 20 30 CHEDHN N#CC1(c2ccc(CN3CCC[C@@H]3c3ccc[nH]3)cc2)CC1 ZINC000596982969 1127523698 /nfs/dbraw/zinc/52/36/98/1127523698.db2.gz AKLICXGTGJEMKR-GOSISDBHSA-N 0 3 291.398 3.907 20 30 CHEDHN CCN(Cc1ccncc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597127228 1127528828 /nfs/dbraw/zinc/52/88/28/1127528828.db2.gz NSWTVFAMYOACHQ-UHFFFAOYSA-N 0 3 291.398 3.659 20 30 CHEDHN CCN(CCOc1ccccc1C#N)Cc1cccc(F)c1 ZINC000060465320 1127530101 /nfs/dbraw/zinc/53/01/01/1127530101.db2.gz GESQNJDBCOOVLM-UHFFFAOYSA-N 0 3 298.361 3.598 20 30 CHEDHN CC[C@H](Cc1ccc(Br)cc1)NC[C@@H](C)C#N ZINC000597082267 1127527082 /nfs/dbraw/zinc/52/70/82/1127527082.db2.gz IATLOUDKZPALIG-SMDDNHRTSA-N 0 3 295.224 3.519 20 30 CHEDHN CCOc1ccc(CN2CCC(C)(C#N)CC2)c(C)c1 ZINC000597085148 1127528049 /nfs/dbraw/zinc/52/80/49/1127528049.db2.gz SAJJCZAZEAXIGG-UHFFFAOYSA-N 0 3 272.392 3.519 20 30 CHEDHN C[C@@H](CN1CC(CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000597203112 1127534970 /nfs/dbraw/zinc/53/49/70/1127534970.db2.gz FKANOAKCCACCES-NSHDSACASA-N 0 3 282.309 3.654 20 30 CHEDHN N#CC1(CNC[C@H]2C[C@H]2c2ccccc2)CCCCC1 ZINC000597225197 1127536311 /nfs/dbraw/zinc/53/63/11/1127536311.db2.gz OZGCRFCMGQKBDM-SJORKVTESA-N 0 3 268.404 3.854 20 30 CHEDHN CC1(NCc2cccc(F)c2C#N)CCC(F)(F)CC1 ZINC000602014635 1127555994 /nfs/dbraw/zinc/55/59/94/1127555994.db2.gz FXMBTXKKTLMJPZ-UHFFFAOYSA-N 0 3 282.309 3.755 20 30 CHEDHN CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(Cl)cc1 ZINC000361509850 1127567935 /nfs/dbraw/zinc/56/79/35/1127567935.db2.gz FBMBVXXZCQCDKC-UHFFFAOYSA-N 0 3 287.794 3.572 20 30 CHEDHN N#Cc1cccc(CN2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000602476866 1127581988 /nfs/dbraw/zinc/58/19/88/1127581988.db2.gz XDGDINJBKVJWNY-AWEZNQCLSA-N 0 3 297.789 3.596 20 30 CHEDHN C[C@@H](CCC#N)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000602499169 1127586995 /nfs/dbraw/zinc/58/69/95/1127586995.db2.gz NRLRITPPRKTLRU-YJBOKZPZSA-N 0 3 279.387 3.700 20 30 CHEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)C2CCC2)n1 ZINC000602542396 1127589676 /nfs/dbraw/zinc/58/96/76/1127589676.db2.gz TWUQHYVLEYMVDQ-SFHVURJKSA-N 0 3 277.371 3.584 20 30 CHEDHN C[C@H](CCC#N)CN[C@H](c1cccc(F)c1)c1ccccn1 ZINC000602578345 1127595627 /nfs/dbraw/zinc/59/56/27/1127595627.db2.gz DGYSHQKCKQEKLA-RDTXWAMCSA-N 0 3 297.377 3.840 20 30 CHEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)[C@@H]1CC1(F)F ZINC000602581216 1127596962 /nfs/dbraw/zinc/59/69/62/1127596962.db2.gz ISTVUEKZHBGLRP-FPMFFAJLSA-N 0 3 264.319 3.665 20 30 CHEDHN COc1ccc2c(c1)C[C@H](C)N(CC1(CC#N)CC1)[C@H]2C ZINC000602807259 1127615437 /nfs/dbraw/zinc/61/54/37/1127615437.db2.gz WLZVHVDHSAHGEW-KBPBESRZSA-N 0 3 284.403 3.697 20 30 CHEDHN CC1(C)CN(CC2(CC#N)CC2)CC[C@H]1C(F)(F)F ZINC000602824807 1127616314 /nfs/dbraw/zinc/61/63/14/1127616314.db2.gz HRQANSKVMWZCLE-LLVKDONJSA-N 0 3 274.330 3.591 20 30 CHEDHN N#CCC1(CN2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000602783719 1127613656 /nfs/dbraw/zinc/61/36/56/1127613656.db2.gz KXJJXUCMZLRLMC-CQSZACIVSA-N 0 3 295.386 3.701 20 30 CHEDHN CCCc1ccc(CN2CCC[C@@H](CC#N)C2)s1 ZINC000598674197 1127632752 /nfs/dbraw/zinc/63/27/52/1127632752.db2.gz NHWUMSUDPPNZHD-ZDUSSCGKSA-N 0 3 262.422 3.826 20 30 CHEDHN CCC1(CC)CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000362506618 1127641249 /nfs/dbraw/zinc/64/12/49/1127641249.db2.gz BEPICQZEDHUHTA-UHFFFAOYSA-N 0 3 296.418 3.608 20 30 CHEDHN CC(C)(CCC#N)CNCc1nsc2ccccc21 ZINC000603429728 1127649300 /nfs/dbraw/zinc/64/93/00/1127649300.db2.gz QCMOVLLBXLBWQG-UHFFFAOYSA-N 0 3 273.405 3.716 20 30 CHEDHN N#CCC1(CNCc2csc(C(F)(F)F)c2)CC1 ZINC000598976501 1127649333 /nfs/dbraw/zinc/64/93/33/1127649333.db2.gz WJPOGLQJCMLCHU-UHFFFAOYSA-N 0 3 274.311 3.550 20 30 CHEDHN Cc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1C#N ZINC000599315675 1127667650 /nfs/dbraw/zinc/66/76/50/1127667650.db2.gz PJAWASSVHOIBFE-IBGZPJMESA-N 0 3 292.382 3.909 20 30 CHEDHN Cc1ccc(CN(C)[C@H](C)c2cccc(O)c2)cc1C#N ZINC000599325654 1127667740 /nfs/dbraw/zinc/66/77/40/1127667740.db2.gz GGHKUWNWIMYYFJ-CQSZACIVSA-N 0 3 280.371 3.765 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2ccsc2)cc1C#N ZINC000599400866 1127670925 /nfs/dbraw/zinc/67/09/25/1127670925.db2.gz GGEMICRTQRYUAF-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN Cc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1C#N ZINC000599514215 1127676750 /nfs/dbraw/zinc/67/67/50/1127676750.db2.gz FIKDGGRCNZUNKH-BETUJISGSA-N 0 3 278.346 3.590 20 30 CHEDHN Cc1ccsc1CN(C)Cc1cccc(C#N)c1 ZINC000061798682 1127718126 /nfs/dbraw/zinc/71/81/26/1127718126.db2.gz GVGYPEQASYFAPU-UHFFFAOYSA-N 0 3 256.374 3.560 20 30 CHEDHN N#CC(C(=O)C[C@@H]1CCCc2ccccc21)c1ccccn1 ZINC000171776748 1127728073 /nfs/dbraw/zinc/72/80/73/1127728073.db2.gz QLXXSUQOCYJWAB-RDJZCZTQSA-N 0 3 290.366 3.768 20 30 CHEDHN Cn1nccc1[C@@H]1CCCCN1CCCCC(C)(C)C#N ZINC000369712136 1127760025 /nfs/dbraw/zinc/76/00/25/1127760025.db2.gz KBMNLBLKFNXHKE-INIZCTEOSA-N 0 3 288.439 3.667 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](OC2CCC2)C1 ZINC000594027704 1127771802 /nfs/dbraw/zinc/77/18/02/1127771802.db2.gz YPFLTZFWUCXRQE-KBXCAEBGSA-N 0 3 284.403 3.653 20 30 CHEDHN C[C@H](CCC#N)N(C)Cc1ccc(Br)c(F)c1 ZINC000411638189 1127868009 /nfs/dbraw/zinc/86/80/09/1127868009.db2.gz ZPJUWOGBWBIEHW-SNVBAGLBSA-N 0 3 299.187 3.712 20 30 CHEDHN COc1cccc(C2(F)CCN([C@H](C)CCC#N)CC2)c1 ZINC000411674479 1127868814 /nfs/dbraw/zinc/86/88/14/1127868814.db2.gz UXXUVANBSLUXNV-CQSZACIVSA-N 0 3 290.382 3.648 20 30 CHEDHN COc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1C#N ZINC000174346293 1127890485 /nfs/dbraw/zinc/89/04/85/1127890485.db2.gz SOSZYOBTHQEJLA-UHFFFAOYSA-N 0 3 298.361 3.731 20 30 CHEDHN C=CCCCCCN(C)Cc1c[nH]nc1C(C)(C)C ZINC000539828477 1127945699 /nfs/dbraw/zinc/94/56/99/1127945699.db2.gz NXUPADRIAIDKQH-UHFFFAOYSA-N 0 3 263.429 3.885 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(C#N)o2)CC12CCCCC2 ZINC000463058679 1127970198 /nfs/dbraw/zinc/97/01/98/1127970198.db2.gz XVQSBUKRKJBWHX-AWEZNQCLSA-N 0 3 272.392 3.944 20 30 CHEDHN N#CCCN(C1CCCC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168436042 1127990297 /nfs/dbraw/zinc/99/02/97/1127990297.db2.gz BTSWRYDUPQGCHN-SFHVURJKSA-N 0 3 286.394 3.841 20 30 CHEDHN CN(Cc1cc(F)ccc1C#N)[C@@H]1CCc2ccccc2C1 ZINC000468800413 1128021930 /nfs/dbraw/zinc/02/19/30/1128021930.db2.gz BZVACRNRTNYCAF-LJQANCHMSA-N 0 3 294.373 3.687 20 30 CHEDHN CN(Cc1cc(F)ccc1C#N)[C@H]1CCc2ccccc2C1 ZINC000468800284 1128022328 /nfs/dbraw/zinc/02/23/28/1128022328.db2.gz BZVACRNRTNYCAF-IBGZPJMESA-N 0 3 294.373 3.687 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470944732 1128082510 /nfs/dbraw/zinc/08/25/10/1128082510.db2.gz JSUFXJDTHSMYPR-JTNHKYCSSA-N 0 3 282.309 3.892 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470953423 1128083976 /nfs/dbraw/zinc/08/39/76/1128083976.db2.gz ONAFVAZLNLPIET-UHIISALHSA-N 0 3 282.309 3.892 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470953422 1128084229 /nfs/dbraw/zinc/08/42/29/1128084229.db2.gz ONAFVAZLNLPIET-SUNKGSAMSA-N 0 3 282.309 3.892 20 30 CHEDHN CCC#C[C@@H](C)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943775 1128084834 /nfs/dbraw/zinc/08/48/34/1128084834.db2.gz AHMRJACAQPNWRM-OLZOCXBDSA-N 0 3 273.342 3.843 20 30 CHEDHN CSc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443974374 1128105770 /nfs/dbraw/zinc/10/57/70/1128105770.db2.gz UBVJYYGFGMYDEB-UHFFFAOYSA-N 0 3 282.412 3.878 20 30 CHEDHN Cc1cc(CN[C@H]2CCc3c2cccc3F)ccc1C#N ZINC000443979063 1128108282 /nfs/dbraw/zinc/10/82/82/1128108282.db2.gz MZHSYDIRDJWXBZ-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN N#CCCN[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000443071311 1128127712 /nfs/dbraw/zinc/12/77/12/1128127712.db2.gz PVDGKMSSKPNYBP-TZMCWYRMSA-N 0 3 282.309 3.845 20 30 CHEDHN CCCCCn1cc(CN[C@@H](C)CC(C)(C)C#N)c(C)n1 ZINC000925675052 1128136865 /nfs/dbraw/zinc/13/68/65/1128136865.db2.gz SZZGFCKSQTWHRY-AWEZNQCLSA-N 0 3 290.455 3.800 20 30 CHEDHN CN(CC#Cc1ccccc1)Cc1cccc2[nH]ccc21 ZINC000493999950 1128153583 /nfs/dbraw/zinc/15/35/83/1128153583.db2.gz NKSHYNDKRQEGQC-UHFFFAOYSA-N 0 3 274.367 3.651 20 30 CHEDHN C=CCCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001307635433 1128160655 /nfs/dbraw/zinc/16/06/55/1128160655.db2.gz MJVNUMWCYHRTTO-CABCVRRESA-N 0 3 296.455 3.672 20 30 CHEDHN C#C[C@H]1CC[C@H](N[C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000926841225 1128197818 /nfs/dbraw/zinc/19/78/18/1128197818.db2.gz XUHFSOLMWMFBFD-XNRPHZJLSA-N 0 3 289.806 3.693 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000926864768 1128199106 /nfs/dbraw/zinc/19/91/06/1128199106.db2.gz OMRMNTPFKDAOLF-WBVHZDCISA-N 0 3 296.418 3.542 20 30 CHEDHN COc1ccc([C@H](C)N[C@H](C)CC(C)(C)C#N)c(OC)c1 ZINC000926758556 1128192199 /nfs/dbraw/zinc/19/21/99/1128192199.db2.gz XNISIFXFOHMVGQ-OLZOCXBDSA-N 0 3 290.407 3.683 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1cc2cnccc2o1 ZINC000926811933 1128196382 /nfs/dbraw/zinc/19/63/82/1128196382.db2.gz ISKNAXZUGSOHJS-NEPJUHHUSA-N 0 3 271.364 3.807 20 30 CHEDHN Cc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)s1 ZINC000487878250 1128258823 /nfs/dbraw/zinc/25/88/23/1128258823.db2.gz OYOMGKPTLGUMFS-UHFFFAOYSA-N 0 3 270.401 3.869 20 30 CHEDHN C=C1CCC(CN[C@@H](c2ccccc2)c2ccncn2)CC1 ZINC000926925153 1128204152 /nfs/dbraw/zinc/20/41/52/1128204152.db2.gz IIUBUPCCVUGCBN-IBGZPJMESA-N 0 3 293.414 3.902 20 30 CHEDHN Cc1ccc([C@H](C)NCc2ccc(C)c(C#N)c2)c(C)n1 ZINC000926967642 1128207004 /nfs/dbraw/zinc/20/70/04/1128207004.db2.gz WEVKDLOPPQKUCU-AWEZNQCLSA-N 0 3 279.387 3.729 20 30 CHEDHN CCCNc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000193152011 1128225900 /nfs/dbraw/zinc/22/59/00/1128225900.db2.gz RYMXVJJLMRVTJO-UHFFFAOYSA-N 0 3 285.416 3.731 20 30 CHEDHN CCCN(Cc1cncc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000929383281 1128271723 /nfs/dbraw/zinc/27/17/23/1128271723.db2.gz QQYRORBXEPUUPY-IBGZPJMESA-N 0 3 291.398 3.853 20 30 CHEDHN C#CCCN1CCN([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000762294970 1128289464 /nfs/dbraw/zinc/28/94/64/1128289464.db2.gz UQXNWICKBJXBRU-KRWDZBQOSA-N 0 3 292.426 3.542 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H]1c1cccnc1 ZINC000930116468 1128301632 /nfs/dbraw/zinc/30/16/32/1128301632.db2.gz WYHGUEIZRRFMNC-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H]1c1ccncc1 ZINC000930111128 1128301235 /nfs/dbraw/zinc/30/12/35/1128301235.db2.gz VDKNDHVLANFVPQ-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN C=CCC[C@@H](NCc1[nH]c(C)nc1C)c1ccccc1 ZINC000930227335 1128308989 /nfs/dbraw/zinc/30/89/89/1128308989.db2.gz FQLDOTMPMGACRW-MRXNPFEDSA-N 0 3 269.392 3.824 20 30 CHEDHN CC(C)N(Cc1cncc(C#N)c1)[C@H](C)c1ccccc1 ZINC000930537681 1128324678 /nfs/dbraw/zinc/32/46/78/1128324678.db2.gz DFRUOMAVXHXBSC-OAHLLOKOSA-N 0 3 279.387 3.925 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1CC1(Cl)Cl ZINC000915680681 1128333858 /nfs/dbraw/zinc/33/38/58/1128333858.db2.gz YCEVJTKINIFVGI-CQSZACIVSA-N 0 3 297.229 3.964 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CC1(Cl)Cl ZINC000915680680 1128334636 /nfs/dbraw/zinc/33/46/36/1128334636.db2.gz YCEVJTKINIFVGI-AWEZNQCLSA-N 0 3 297.229 3.964 20 30 CHEDHN C[C@H](NCCCCC1(C#N)CCC1)c1cscn1 ZINC000930962918 1128341061 /nfs/dbraw/zinc/34/10/61/1128341061.db2.gz GMZSBNCOJJDSRN-LBPRGKRZSA-N 0 3 263.410 3.658 20 30 CHEDHN CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC000153745154 1128345614 /nfs/dbraw/zinc/34/56/14/1128345614.db2.gz SFPPOVKMCAKRAE-SJCJKPOMSA-N 0 3 296.418 3.711 20 30 CHEDHN N#Cc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000609234371 1128373851 /nfs/dbraw/zinc/37/38/51/1128373851.db2.gz QPPUPORANRPHNR-LJQANCHMSA-N 0 3 292.382 3.522 20 30 CHEDHN N#Cc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000609234369 1128374191 /nfs/dbraw/zinc/37/41/91/1128374191.db2.gz QPPUPORANRPHNR-IBGZPJMESA-N 0 3 292.382 3.522 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932214893 1128400731 /nfs/dbraw/zinc/40/07/31/1128400731.db2.gz SCFYLLSGLNBQCQ-DZGCQCFKSA-N 0 3 270.376 3.715 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(F)(C2CC2)CC1 ZINC000932627605 1128418107 /nfs/dbraw/zinc/41/81/07/1128418107.db2.gz WOQWWBAXODINAD-CYBMUJFWSA-N 0 3 272.367 3.833 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000562585511 1128412358 /nfs/dbraw/zinc/41/23/58/1128412358.db2.gz VRLYYCZTCNHWOC-CYBMUJFWSA-N 0 3 296.418 3.772 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CC=CCC1 ZINC000778168309 1128434707 /nfs/dbraw/zinc/43/47/07/1128434707.db2.gz AWOYXIDIMVAUKT-ZDUSSCGKSA-N 0 3 275.779 3.550 20 30 CHEDHN CN(CCCCC(F)(F)F)Cc1cc(C#N)cs1 ZINC000933774255 1128442616 /nfs/dbraw/zinc/44/26/16/1128442616.db2.gz MSFVEBTXQKAHGA-UHFFFAOYSA-N 0 3 276.327 3.784 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](c1ccncc1)C1CC1 ZINC000934699193 1128467209 /nfs/dbraw/zinc/46/72/09/1128467209.db2.gz VFAOZZFUMMSJAW-LJQANCHMSA-N 0 3 291.398 3.811 20 30 CHEDHN C=CCOc1cccc(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000127417057 1128477646 /nfs/dbraw/zinc/47/76/46/1128477646.db2.gz QERRHFIYLVZVFC-SFHVURJKSA-N 0 3 282.387 3.917 20 30 CHEDHN C=CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C(C)C ZINC000917481706 1128500690 /nfs/dbraw/zinc/50/06/90/1128500690.db2.gz WFIRLCXILVHUJB-UHFFFAOYSA-N 0 3 285.387 3.950 20 30 CHEDHN C=CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C(C)C ZINC000917481706 1128500692 /nfs/dbraw/zinc/50/06/92/1128500692.db2.gz WFIRLCXILVHUJB-UHFFFAOYSA-N 0 3 285.387 3.950 20 30 CHEDHN CCCCCCCCCC(=O)N[C@H]1CCCN(CC)C1 ZINC000918396399 1128543162 /nfs/dbraw/zinc/54/31/62/1128543162.db2.gz NQQXOKHIVUIXJG-INIZCTEOSA-N 0 3 282.472 3.728 20 30 CHEDHN CC(C)(C#N)CCN1Cc2ccccc2OC(C)(C)C1 ZINC000568678723 1128590106 /nfs/dbraw/zinc/59/01/06/1128590106.db2.gz UVRYXMACUFEDPE-UHFFFAOYSA-N 0 3 272.392 3.599 20 30 CHEDHN CC(C)(C)c1cc(NC2=CC[C@H](C#N)CC2)ccn1 ZINC001212857364 1128609814 /nfs/dbraw/zinc/60/98/14/1128609814.db2.gz HLBWMUIELXYPBY-LBPRGKRZSA-N 0 3 255.365 3.999 20 30 CHEDHN C[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 ZINC000570222504 1128618510 /nfs/dbraw/zinc/61/85/10/1128618510.db2.gz BLYRFFKNOJESTP-DNVCBOLYSA-N 0 3 291.398 3.926 20 30 CHEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1 ZINC000619746594 1128635199 /nfs/dbraw/zinc/63/51/99/1128635199.db2.gz BKOUGCAHVZUEMT-LBPRGKRZSA-N 0 3 295.773 3.934 20 30 CHEDHN N#CC(C(=O)CCc1ccccc1Cl)c1ccccn1 ZINC000046705963 1128664408 /nfs/dbraw/zinc/66/44/08/1128664408.db2.gz YCFAJVWFCVRAGP-CYBMUJFWSA-N 0 3 284.746 3.544 20 30 CHEDHN N#Cc1cc(CN[C@H]2CCCc3ccccc32)cs1 ZINC000921473363 1128710608 /nfs/dbraw/zinc/71/06/08/1128710608.db2.gz MRHYUGWYZMPBJS-INIZCTEOSA-N 0 3 268.385 3.787 20 30 CHEDHN C=CCCC[C@H](C)N[C@H]1CCCc2scnc21 ZINC000623928424 1117954523 /nfs/dbraw/zinc/95/45/23/1117954523.db2.gz PJDJAOGOFSFUPT-RYUDHWBXSA-N 0 3 250.411 3.855 20 30 CHEDHN C=CC(C)(C)CCN[C@@H](c1ccccc1)c1cncnc1 ZINC000624037177 1117973336 /nfs/dbraw/zinc/97/33/36/1117973336.db2.gz PEESLAHWFRAUKB-KRWDZBQOSA-N 0 3 281.403 3.758 20 30 CHEDHN C=CCC[C@@H](NCc1ccns1)c1ccccc1 ZINC000624047648 1117975329 /nfs/dbraw/zinc/97/53/29/1117975329.db2.gz JZHGZRRQVQWJBY-OAHLLOKOSA-N 0 3 258.390 3.940 20 30 CHEDHN C#C[C@H]1CCCN(CCc2ccc(Cl)cc2Cl)C1 ZINC001209081061 1117995358 /nfs/dbraw/zinc/99/53/58/1117995358.db2.gz JGCKOSFRTICYSH-LBPRGKRZSA-N 0 3 282.214 3.881 20 30 CHEDHN CCN(C[C@@H](C)C#N)[C@@H](C)CCc1cccc(F)c1 ZINC000183128030 1118037906 /nfs/dbraw/zinc/03/79/06/1118037906.db2.gz ZYPLQVGQCMUFQH-KBPBESRZSA-N 0 3 262.372 3.628 20 30 CHEDHN C=CCCCCCCCCN1CCn2cncc2C1 ZINC001209446308 1118063013 /nfs/dbraw/zinc/06/30/13/1118063013.db2.gz VOTTVBRBQGRAFE-UHFFFAOYSA-N 0 3 261.413 3.615 20 30 CHEDHN CCOc1ccc(C)c(CN2CCC[C@H](C#N)CC2)c1 ZINC001238706007 1118074950 /nfs/dbraw/zinc/07/49/50/1118074950.db2.gz DDEKFMWPINOUTP-HNNXBMFYSA-N 0 3 272.392 3.519 20 30 CHEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(F)nc1 ZINC000779154534 1128754569 /nfs/dbraw/zinc/75/45/69/1128754569.db2.gz WKXFAKBSTFHYHV-UHFFFAOYSA-N 0 3 297.377 3.751 20 30 CHEDHN COc1cc(C#N)ccc1CN[C@H](c1ccccc1)C1CC1 ZINC000179694117 1128754605 /nfs/dbraw/zinc/75/46/05/1128754605.db2.gz CNEQCMYJJCVLJN-LJQANCHMSA-N 0 3 292.382 3.808 20 30 CHEDHN C#CC[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000764683174 1118107456 /nfs/dbraw/zinc/10/74/56/1118107456.db2.gz QBNFJJNIOLKIJH-UHFFFAOYSA-N 0 3 277.367 3.657 20 30 CHEDHN C#CC[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000764683174 1118107457 /nfs/dbraw/zinc/10/74/57/1118107457.db2.gz QBNFJJNIOLKIJH-UHFFFAOYSA-N 0 3 277.367 3.657 20 30 CHEDHN CCc1nc(C)c([C@@H](C)NCc2ccc(C#N)cc2)s1 ZINC000765013048 1118129702 /nfs/dbraw/zinc/12/97/02/1118129702.db2.gz QTQAXTGFKPYWMZ-LLVKDONJSA-N 0 3 285.416 3.736 20 30 CHEDHN N#Cc1cc(CN[C@H](c2ccccc2)C2CC2)cs1 ZINC000921514281 1118154222 /nfs/dbraw/zinc/15/42/22/1118154222.db2.gz VDMWEYMBGFJDNP-MRXNPFEDSA-N 0 3 268.385 3.861 20 30 CHEDHN COCc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921541133 1118176450 /nfs/dbraw/zinc/17/64/50/1118176450.db2.gz JYZGCHWHHUJFDI-UHFFFAOYSA-N 0 3 294.398 3.611 20 30 CHEDHN Cc1cc(F)ccc1CN(C)Cc1cccc(C#N)c1 ZINC000130768795 1118196643 /nfs/dbraw/zinc/19/66/43/1118196643.db2.gz JLOZZPVSNDWCPK-UHFFFAOYSA-N 0 3 268.335 3.638 20 30 CHEDHN N#CCCN[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000449285773 1118270644 /nfs/dbraw/zinc/27/06/44/1118270644.db2.gz FVMHSODBIVTBJP-DZGCQCFKSA-N 0 3 262.784 3.554 20 30 CHEDHN C=CCC[C@H](NCCN1Cc2ccccc2C1)c1ccco1 ZINC000671744250 1118331331 /nfs/dbraw/zinc/33/13/31/1118331331.db2.gz BFCRZYDAJWKRRI-SFHVURJKSA-N 0 3 296.414 3.892 20 30 CHEDHN C[C@@H](CCC#N)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000616014526 1128773062 /nfs/dbraw/zinc/77/30/62/1128773062.db2.gz QGBDROJVLIWRIG-NSHDSACASA-N 0 3 270.298 3.829 20 30 CHEDHN CC[C@H](N[C@H](C)c1ccnc(OC)c1)c1ccc(C#N)cc1 ZINC000348642783 1118372973 /nfs/dbraw/zinc/37/29/73/1118372973.db2.gz NQZIYYFWVSCKCY-DYVFJYSZSA-N 0 3 295.386 3.764 20 30 CHEDHN C=CCCCCCN(C)Cc1cc(C(=O)OC)cs1 ZINC001657378113 1118455001 /nfs/dbraw/zinc/45/50/01/1118455001.db2.gz SGMGDIRDOZVYSA-UHFFFAOYSA-N 0 3 281.421 3.713 20 30 CHEDHN Cc1ncc(CN(C)CCCCC(C)(C)C#N)s1 ZINC000277670457 1118464837 /nfs/dbraw/zinc/46/48/37/1118464837.db2.gz JTLYKSKYDSDLJI-UHFFFAOYSA-N 0 3 265.426 3.603 20 30 CHEDHN C=CCCCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000580907444 1118519585 /nfs/dbraw/zinc/51/95/85/1118519585.db2.gz MEBKVKKPBAOUFV-SFHVURJKSA-N 0 3 271.404 3.923 20 30 CHEDHN C=CCCCNCc1c(Cl)cccc1OC(F)F ZINC000684110773 1118522133 /nfs/dbraw/zinc/52/21/33/1118522133.db2.gz AWMRCPPVJNGYJQ-UHFFFAOYSA-N 0 3 275.726 3.997 20 30 CHEDHN C#CCC1(NCc2sc(C)nc2C(F)(F)F)CCC1 ZINC000933296100 1118607191 /nfs/dbraw/zinc/60/71/91/1118607191.db2.gz BGRFZEKBADKAEC-UHFFFAOYSA-N 0 3 288.338 3.506 20 30 CHEDHN N#Cc1ccccc1CN1CC[C@@H]2CCCC[C@H]2C1 ZINC000250077291 1118628901 /nfs/dbraw/zinc/62/89/01/1118628901.db2.gz FSIMXDFYCROOJS-HOCLYGCPSA-N 0 3 254.377 3.570 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)c1cccc(C)c1)c1ccco1 ZINC000796835073 1118641855 /nfs/dbraw/zinc/64/18/55/1118641855.db2.gz KAYBBXRODONQTG-IRXDYDNUSA-N 0 3 285.387 3.919 20 30 CHEDHN C[C@@H]1CC[C@H](C)N(CC#Cc2cccc(Cl)c2)C1 ZINC001167483264 1118696985 /nfs/dbraw/zinc/69/69/85/1118696985.db2.gz VHSVABWROUAAES-KGLIPLIRSA-N 0 3 261.796 3.812 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccccc1OC(F)(F)F ZINC000430743562 1118765907 /nfs/dbraw/zinc/76/59/07/1118765907.db2.gz LEGYPSALLJOPEV-LLVKDONJSA-N 0 3 298.308 3.930 20 30 CHEDHN CN(CCSCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000430744031 1118765968 /nfs/dbraw/zinc/76/59/68/1118765968.db2.gz TTZWXMCVYISRER-UHFFFAOYSA-N 0 3 296.439 3.923 20 30 CHEDHN CC(C)[C@H](NCC1(CC#N)CC1)c1cc(F)ccc1F ZINC000430745774 1118767000 /nfs/dbraw/zinc/76/70/00/1118767000.db2.gz ZWUKKQWGWSTIRC-HNNXBMFYSA-N 0 3 278.346 3.945 20 30 CHEDHN CCn1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000616785487 1128799851 /nfs/dbraw/zinc/79/98/51/1128799851.db2.gz UXKURUMSBFEFBD-CQSZACIVSA-N 0 3 267.376 3.573 20 30 CHEDHN C=C(CN[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000610805487 1118893552 /nfs/dbraw/zinc/89/35/52/1118893552.db2.gz GYLHYEFFCMPPFC-CQSZACIVSA-N 0 3 282.343 3.959 20 30 CHEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000181050481 1118900709 /nfs/dbraw/zinc/90/07/09/1118900709.db2.gz SFDRWNQCGAXFRB-UHFFFAOYSA-N 0 3 275.783 3.738 20 30 CHEDHN C[C@H](Cc1ccsc1)N(C)Cc1cccc(C#N)c1F ZINC001167581933 1119106825 /nfs/dbraw/zinc/10/68/25/1119106825.db2.gz INMHABZPCDTTEV-GFCCVEGCSA-N 0 3 288.391 3.822 20 30 CHEDHN C[C@@H](C#N)CN[C@H](CCc1ccccc1)Cc1ccccc1 ZINC000133037472 1119127942 /nfs/dbraw/zinc/12/79/42/1119127942.db2.gz KJEJPNDMEWWGBQ-FXAWDEMLSA-N 0 3 292.426 3.980 20 30 CHEDHN C=CCC[C@H](NCc1cc(C)nn1C)c1ccccc1 ZINC000342808244 1119185474 /nfs/dbraw/zinc/18/54/74/1119185474.db2.gz AMFNDHGTRNNUHP-KRWDZBQOSA-N 0 3 269.392 3.526 20 30 CHEDHN C=CCCNCc1csc(-c2cccs2)n1 ZINC000657582859 1119195073 /nfs/dbraw/zinc/19/50/73/1119195073.db2.gz JSMNZTADVZPLQV-UHFFFAOYSA-N 0 3 250.392 3.537 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2)o1 ZINC000661117285 1119196112 /nfs/dbraw/zinc/19/61/12/1119196112.db2.gz PIEPLLKRMRQBLY-GDBMZVCRSA-N 0 3 297.402 3.961 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1cc(Br)ccc1F ZINC000157261347 1119389180 /nfs/dbraw/zinc/38/91/80/1119389180.db2.gz GQWVKFGSCLEOMN-IUCAKERBSA-N 0 3 272.161 3.813 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2ccc(C(C)(C)O)cc2)c1 ZINC000926549727 1119465043 /nfs/dbraw/zinc/46/50/43/1119465043.db2.gz HHMWMTSWEAJMLJ-OAHLLOKOSA-N 0 3 293.410 3.746 20 30 CHEDHN CC(C)(C#N)CCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000618287201 1119466126 /nfs/dbraw/zinc/46/61/26/1119466126.db2.gz YFBKSBSPSZOQDF-UHFFFAOYSA-N 0 3 296.418 3.682 20 30 CHEDHN C=CCCCCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000574893120 1119490396 /nfs/dbraw/zinc/49/03/96/1119490396.db2.gz LZATYDBUBXSGEH-CYBMUJFWSA-N 0 3 279.346 3.776 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H]3CCCC[C@H]32)c1F ZINC000300240614 1119493859 /nfs/dbraw/zinc/49/38/59/1119493859.db2.gz SGFIPONUHRUZBK-XJKSGUPXSA-N 0 3 272.367 3.852 20 30 CHEDHN CC1CCC(N(C)Cc2ccc(F)cc2C#N)CC1 ZINC000343735160 1119497773 /nfs/dbraw/zinc/49/77/73/1119497773.db2.gz PZJBIIKHEMTPLN-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000628405828 1128856034 /nfs/dbraw/zinc/85/60/34/1128856034.db2.gz VTBXOAIVVBOMJO-LBPRGKRZSA-N 0 3 295.810 3.755 20 30 CHEDHN COc1cc(CN(C)CCC(C)(C)C#N)ccc1SC ZINC000157844070 1119593007 /nfs/dbraw/zinc/59/30/07/1119593007.db2.gz KANSJBOHZWBSOZ-UHFFFAOYSA-N 0 3 292.448 3.789 20 30 CHEDHN C=C(C)COc1cc(CN2CCC2(C)C)ccc1OC ZINC000093460494 1119660581 /nfs/dbraw/zinc/66/05/81/1119660581.db2.gz ZDMGNTJQORNVNR-UHFFFAOYSA-N 0 3 275.392 3.634 20 30 CHEDHN CC(C)n1cccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647378629 1119709977 /nfs/dbraw/zinc/70/99/77/1119709977.db2.gz MJPMYYIKAIDAIG-LBPRGKRZSA-N 0 3 299.399 3.893 20 30 CHEDHN C[C@@H](CCc1ccccc1)CN1CCC[C@](C)(C#N)C1 ZINC000612406830 1119784042 /nfs/dbraw/zinc/78/40/42/1119784042.db2.gz VCZHBYXAADOGSQ-FUHWJXTLSA-N 0 3 270.420 3.881 20 30 CHEDHN C[C@H](Cc1cccc(C(F)(F)F)c1)NCC1(C#N)CC1 ZINC000545285279 1119865377 /nfs/dbraw/zinc/86/53/77/1119865377.db2.gz PTFZGMGVWUWBDW-LLVKDONJSA-N 0 3 282.309 3.530 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000414166353 1119923922 /nfs/dbraw/zinc/92/39/22/1119923922.db2.gz NKGGUXJSRHVDTK-CYBMUJFWSA-N 0 3 260.381 3.823 20 30 CHEDHN COc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)CCS2 ZINC000414169740 1119925335 /nfs/dbraw/zinc/92/53/35/1119925335.db2.gz RZMBAUFXVWWXIU-CQSZACIVSA-N 0 3 290.432 3.762 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1nccn1CC ZINC000414299298 1119972400 /nfs/dbraw/zinc/97/24/00/1119972400.db2.gz KNCYENIHJLDKIN-WBVHZDCISA-N 0 3 283.419 3.741 20 30 CHEDHN CCCCN(CCCC)Cc1ccc(OC)cc1C#N ZINC001137704874 1119977489 /nfs/dbraw/zinc/97/74/89/1119977489.db2.gz XTNQDFDNSXDOGG-UHFFFAOYSA-N 0 3 274.408 3.969 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2CCc1cccc(Cl)c1 ZINC001207425134 1120017548 /nfs/dbraw/zinc/01/75/48/1120017548.db2.gz BUUKKVOHQIJYCS-MKZZRHPPSA-N 0 3 274.795 3.649 20 30 CHEDHN C=CCC[C@H](NCC1(C#N)CCC1)[C@]1(C)CCCCO1 ZINC000903035111 1120063795 /nfs/dbraw/zinc/06/37/95/1120063795.db2.gz IHHHLSXCHVDIJH-HOTGVXAUSA-N 0 3 276.424 3.564 20 30 CHEDHN COC1(CN[C@H](C)c2ccc(C#N)cc2F)CCCCC1 ZINC000480701429 1120085048 /nfs/dbraw/zinc/08/50/48/1120085048.db2.gz TYCMWZFPFQMBLN-CYBMUJFWSA-N 0 3 290.382 3.697 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000542692490 1120119874 /nfs/dbraw/zinc/11/98/74/1120119874.db2.gz SZEBCTSFTMXVEY-DJIMGWMZSA-N 0 3 256.393 3.852 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000361865028 1120192610 /nfs/dbraw/zinc/19/26/10/1120192610.db2.gz IOHCYIYCSNZFJK-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN CC(C)OCc1ccccc1CNCc1ccc(C#N)cc1 ZINC000069673008 1128897740 /nfs/dbraw/zinc/89/77/40/1128897740.db2.gz CRRDWHKOCVXNDV-UHFFFAOYSA-N 0 3 294.398 3.773 20 30 CHEDHN C=CCCCCCN(C)Cc1cnn(CC(C)C)c1 ZINC000543094762 1120413862 /nfs/dbraw/zinc/41/38/62/1120413862.db2.gz MARDJZMFGJMDMQ-UHFFFAOYSA-N 0 3 263.429 3.717 20 30 CHEDHN CC(C)CCn1cccc1CNCc1cccc(C#N)c1 ZINC000161623905 1120421138 /nfs/dbraw/zinc/42/11/38/1120421138.db2.gz LVWDAKVKTGKTHR-UHFFFAOYSA-N 0 3 281.403 3.696 20 30 CHEDHN CCOc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1 ZINC000543139879 1120442217 /nfs/dbraw/zinc/44/22/17/1120442217.db2.gz HVUMNATZELHGGO-UHFFFAOYSA-N 0 3 294.398 3.783 20 30 CHEDHN CSCc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000922206185 1120466250 /nfs/dbraw/zinc/46/62/50/1120466250.db2.gz BGJLJLMJAHCUGM-UHFFFAOYSA-N 0 3 296.439 3.905 20 30 CHEDHN CCc1cccc2c1OCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000618571739 1128920531 /nfs/dbraw/zinc/92/05/31/1128920531.db2.gz UEEBWQHZXDHSDO-LXZKKBNFSA-N 0 3 284.403 3.745 20 30 CHEDHN COc1cc([C@@H](C)NCc2cccc(C#N)c2)ccc1F ZINC000154456491 1120546828 /nfs/dbraw/zinc/54/68/28/1120546828.db2.gz UUJHLFTTWUKBTI-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN C=CC[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccncc1 ZINC000766019956 1120663457 /nfs/dbraw/zinc/66/34/57/1120663457.db2.gz OAARFCFVZIZPJC-CJNGLKHVSA-N 0 3 296.370 3.778 20 30 CHEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162869522 1120694311 /nfs/dbraw/zinc/69/43/11/1120694311.db2.gz FUBWHLMAYAPLPW-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1noc2c1CCCC2 ZINC000661118070 1120720532 /nfs/dbraw/zinc/72/05/32/1120720532.db2.gz WCCYHNFGGKPMIB-UKRRQHHQSA-N 0 3 274.408 3.778 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651745739 1120733469 /nfs/dbraw/zinc/73/34/69/1120733469.db2.gz UVOJQBAWASSACM-MRXNPFEDSA-N 0 3 296.414 3.992 20 30 CHEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2nnc([C@@H](C)CC)[n-]2)C1 ZINC000651785507 1120745519 /nfs/dbraw/zinc/74/55/19/1120745519.db2.gz FWWXWQNPTJPSSZ-FQUUOJAGSA-N 0 3 276.428 3.714 20 30 CHEDHN C=CCCCCCN(C)Cc1c(C)onc1CC ZINC000119350046 1120777661 /nfs/dbraw/zinc/77/76/61/1120777661.db2.gz PWJJEBGJWBCABQ-UHFFFAOYSA-N 0 3 250.386 3.724 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ccc(F)cc21 ZINC000618803177 1128939974 /nfs/dbraw/zinc/93/99/74/1128939974.db2.gz GZSSXQULQBIEPG-RTBURBONSA-N 0 3 292.357 3.962 20 30 CHEDHN C=CCC[C@@H](C)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000662049600 1120865145 /nfs/dbraw/zinc/86/51/45/1120865145.db2.gz AHZOZJTZQWMFDK-ZWNOBZJWSA-N 0 3 288.218 3.971 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nc(-c2ccccc2)no1 ZINC000662080815 1120871746 /nfs/dbraw/zinc/87/17/46/1120871746.db2.gz MURMUZRLJSJREQ-BMFZPTHFSA-N 0 3 295.386 3.981 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1OC(F)F ZINC000662081736 1120871758 /nfs/dbraw/zinc/87/17/58/1120871758.db2.gz RRARCKSMAZHPQN-OKILXGFUSA-N 0 3 279.330 3.971 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000662078229 1120871946 /nfs/dbraw/zinc/87/19/46/1120871946.db2.gz CXSLEBQPQJWQFL-ZACQAIPSSA-N 0 3 298.430 3.813 20 30 CHEDHN C[C@H](CCC#N)CN1CCC[C@H]1c1nc2ccccc2n1C ZINC000618887219 1128948239 /nfs/dbraw/zinc/94/82/39/1128948239.db2.gz MHANKASQMQVERH-PBHICJAKSA-N 0 3 296.418 3.650 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(C#N)s1 ZINC000512046847 1121037360 /nfs/dbraw/zinc/03/73/60/1121037360.db2.gz VTHRYXJFYORWNG-UHFFFAOYSA-N 0 3 282.412 3.850 20 30 CHEDHN N#CCOc1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000070211838 1128957853 /nfs/dbraw/zinc/95/78/53/1128957853.db2.gz RJHSLYNLIYDRSX-UHFFFAOYSA-N 0 3 292.791 3.594 20 30 CHEDHN CCOc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000318079478 1121074550 /nfs/dbraw/zinc/07/45/50/1121074550.db2.gz GPXIVGBIBWMBQC-ZDUSSCGKSA-N 0 3 298.361 3.947 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(OCC)cn1 ZINC000674862405 1121189014 /nfs/dbraw/zinc/18/90/14/1121189014.db2.gz VEAKATWCQQDMNX-UHFFFAOYSA-N 0 3 296.414 3.711 20 30 CHEDHN C=CCN(CCCOC(C)(C)C)Cc1cccs1 ZINC000674903599 1121192660 /nfs/dbraw/zinc/19/26/60/1121192660.db2.gz ZVQYNDYJSGXGPP-UHFFFAOYSA-N 0 3 267.438 3.941 20 30 CHEDHN CCCCCCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC000773480386 1121259237 /nfs/dbraw/zinc/25/92/37/1121259237.db2.gz CAHJRHQODQQKKC-GOSISDBHSA-N 0 3 296.499 3.534 20 30 CHEDHN CC(C)(C#N)CCCCNC(C)(C)c1nccs1 ZINC000232532373 1121264330 /nfs/dbraw/zinc/26/43/30/1121264330.db2.gz SBZLTUOMGZXHRP-UHFFFAOYSA-N 0 3 265.426 3.688 20 30 CHEDHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000414185257 1121402395 /nfs/dbraw/zinc/40/23/95/1121402395.db2.gz PFAPPKBCBBHDSO-AXAPSJFSSA-N 0 3 260.356 3.783 20 30 CHEDHN C=CCCCCN(C)Cc1cccc(F)c1OC ZINC001143536995 1121426061 /nfs/dbraw/zinc/42/60/61/1121426061.db2.gz MPXSLSQDYSYUGR-UHFFFAOYSA-N 0 3 251.345 3.622 20 30 CHEDHN C=CCC[C@H](NCc1ccccn1)c1ccccc1 ZINC000676422060 1121432330 /nfs/dbraw/zinc/43/23/30/1121432330.db2.gz RKCBYOKFNDOLDQ-KRWDZBQOSA-N 0 3 252.361 3.879 20 30 CHEDHN C=CCCC[C@H](NC/C=C(\C)C(=O)OC)c1ccccc1 ZINC001175767180 1121459435 /nfs/dbraw/zinc/45/94/35/1121459435.db2.gz IKEUGQAHABGKJJ-VOGRQWBCSA-N 0 3 287.403 3.793 20 30 CHEDHN Clc1ccc(C#CCN2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625772154 1121492513 /nfs/dbraw/zinc/49/25/13/1121492513.db2.gz CIPIWHUEXUEHOF-CVEARBPZSA-N 0 3 291.847 3.661 20 30 CHEDHN CC(C)C[C@@H](CNCC(C)(C)C#N)c1ccccc1 ZINC000619428934 1128990903 /nfs/dbraw/zinc/99/09/03/1128990903.db2.gz OZZNQAONMWOYAT-INIZCTEOSA-N 0 3 258.409 3.956 20 30 CHEDHN C=CCC1(NCc2nc(-c3ccoc3)no2)CCCCC1 ZINC000625936846 1121554825 /nfs/dbraw/zinc/55/48/25/1121554825.db2.gz ZBZFEWOTPWIUTF-UHFFFAOYSA-N 0 3 287.363 3.698 20 30 CHEDHN C=C(C)[C@H](NCCc1cncs1)c1ccc(F)c(F)c1 ZINC000411555542 1121607261 /nfs/dbraw/zinc/60/72/61/1121607261.db2.gz NHXYHKVYWWXODG-HNNXBMFYSA-N 0 3 294.370 3.871 20 30 CHEDHN C[C@@H](c1ccncc1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245198 1121632017 /nfs/dbraw/zinc/63/20/17/1121632017.db2.gz FWFBRPUSPNILAP-HNNXBMFYSA-N 0 3 289.382 3.804 20 30 CHEDHN C#CCN(CCc1ccns1)[C@@H]1CCCc2ccccc21 ZINC001176453191 1121633471 /nfs/dbraw/zinc/63/34/71/1121633471.db2.gz PZDWQPOQQVBGQD-GOSISDBHSA-N 0 3 296.439 3.698 20 30 CHEDHN CC(C)Oc1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611379103 1121640133 /nfs/dbraw/zinc/64/01/33/1121640133.db2.gz ZDZONJNNUHSRPO-AWEZNQCLSA-N 0 3 295.386 3.591 20 30 CHEDHN Cc1ccc(F)cc1CN[C@H](C)c1cccc(C#N)c1 ZINC000611498418 1121652922 /nfs/dbraw/zinc/65/29/22/1121652922.db2.gz QGVXKNVUGRXHSP-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN C=CCC[C@H]1CCCN1Cc1ccnc(Cl)c1 ZINC001176767317 1121694676 /nfs/dbraw/zinc/69/46/76/1121694676.db2.gz FPJBTVROCZQQOW-ZDUSSCGKSA-N 0 3 250.773 3.666 20 30 CHEDHN C#C[C@@H]1CCCCN1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001176832753 1121697564 /nfs/dbraw/zinc/69/75/64/1121697564.db2.gz HJAZMENBQAJKBZ-PMPSAXMXSA-N 0 3 275.342 3.523 20 30 CHEDHN C=CCNCc1ccccc1OCc1ccc(F)cc1F ZINC001177148882 1121714838 /nfs/dbraw/zinc/71/48/38/1121714838.db2.gz QVJPHXGFDTZUFZ-UHFFFAOYSA-N 0 3 289.325 3.819 20 30 CHEDHN CCCCCCCCCCC(=O)N[C@@H]1CN(C)CC1(C)C ZINC001178708837 1121808589 /nfs/dbraw/zinc/80/85/89/1121808589.db2.gz HTKRJHLRJQQLGH-MRXNPFEDSA-N 0 3 296.499 3.974 20 30 CHEDHN N#CCC1(CNCc2cccc(OC3CCCC3)c2)CC1 ZINC000430015964 1121825674 /nfs/dbraw/zinc/82/56/74/1121825674.db2.gz CFXAEPGGPQSOBB-UHFFFAOYSA-N 0 3 284.403 3.791 20 30 CHEDHN N#CCC1(CNCc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000430020354 1121826618 /nfs/dbraw/zinc/82/66/18/1121826618.db2.gz OUIKGYIUDIDPIE-UHFFFAOYSA-N 0 3 286.272 3.628 20 30 CHEDHN CC(C)(NCc1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000731212693 1121853861 /nfs/dbraw/zinc/85/38/61/1121853861.db2.gz CBCNCDJTKCJRHC-UHFFFAOYSA-N 0 3 298.361 3.753 20 30 CHEDHN C=C(Cl)CN[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000280138909 1121865775 /nfs/dbraw/zinc/86/57/75/1121865775.db2.gz DOIVXRNXOXYEPL-VXGBXAGGSA-N 0 3 283.799 3.538 20 30 CHEDHN CSc1ccc(CNCc2ccc(F)cc2)cc1C#N ZINC001179584397 1121894399 /nfs/dbraw/zinc/89/43/99/1121894399.db2.gz PTFHALOTFBTQDZ-UHFFFAOYSA-N 0 3 286.375 3.709 20 30 CHEDHN C#CCC1(NCc2sc(C)cc2Br)CCC1 ZINC001179651197 1121895939 /nfs/dbraw/zinc/89/59/39/1121895939.db2.gz KBCWANQOPITJLZ-UHFFFAOYSA-N 0 3 298.249 3.855 20 30 CHEDHN C(#Cc1ccccc1)CN1CCC[C@H](Cc2ccccc2)C1 ZINC001180006714 1121937594 /nfs/dbraw/zinc/93/75/94/1121937594.db2.gz JXXCIZLKKPSYQC-OAQYLSRUSA-N 0 3 289.422 3.993 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2occc21 ZINC000618803971 1122006907 /nfs/dbraw/zinc/00/69/07/1122006907.db2.gz JJYBEUTZESECRL-SJORKVTESA-N 0 3 278.355 3.806 20 30 CHEDHN CCCCCCC[C@H](C)C(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001181122513 1122037840 /nfs/dbraw/zinc/03/78/40/1122037840.db2.gz UJQCCARVLPNNJR-YESZJQIVSA-N 0 3 294.483 3.536 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420939152 1122046679 /nfs/dbraw/zinc/04/66/79/1122046679.db2.gz BQDDCPXGUGPKJR-CQSZACIVSA-N 0 3 282.309 3.723 20 30 CHEDHN C[C@@H](NN=C1CCCNc2ccccc21)c1ccccc1 ZINC000774373999 1122158308 /nfs/dbraw/zinc/15/83/08/1122158308.db2.gz CWHMRHFBRKTPCC-CQSZACIVSA-N 0 3 279.387 3.947 20 30 CHEDHN C[C@@H]1c2sccc2CCN1Cc1ccc(CC#N)cc1 ZINC000711898595 1122364739 /nfs/dbraw/zinc/36/47/39/1122364739.db2.gz CUVPMVNVELZYHF-CYBMUJFWSA-N 0 3 282.412 3.933 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc(C(=O)OC)nc1 ZINC001237445571 1129053569 /nfs/dbraw/zinc/05/35/69/1129053569.db2.gz ONSPTBKCHZCZIO-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN C=CCOc1cccc(CN(C)Cc2ccccc2)c1 ZINC000435232648 1122446398 /nfs/dbraw/zinc/44/63/98/1122446398.db2.gz NQMXRHRRUVAHOY-UHFFFAOYSA-N 0 3 267.372 3.883 20 30 CHEDHN CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1[O-] ZINC000775413009 1122554817 /nfs/dbraw/zinc/55/48/17/1122554817.db2.gz UJYZEIANOWVHSV-INIZCTEOSA-N 0 3 284.334 3.644 20 30 CHEDHN CC[C@H](NCc1cc(C#N)ccc1F)c1ccccc1O ZINC000775413009 1122554820 /nfs/dbraw/zinc/55/48/20/1122554820.db2.gz UJYZEIANOWVHSV-INIZCTEOSA-N 0 3 284.334 3.644 20 30 CHEDHN C=C1CCN(C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC001190848020 1122557750 /nfs/dbraw/zinc/55/77/50/1122557750.db2.gz SYNMQRVQCXUHDL-ROUUACIJSA-N 0 3 271.404 3.949 20 30 CHEDHN CN(Cc1cc(F)ccc1C#N)C1CCC(F)(F)CC1 ZINC000287048273 1122563957 /nfs/dbraw/zinc/56/39/57/1122563957.db2.gz UCVUJYOFKMYLRC-UHFFFAOYSA-N 0 3 282.309 3.707 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000506063910 1122639510 /nfs/dbraw/zinc/63/95/10/1122639510.db2.gz MTRXVMNZWLBTPA-LJQANCHMSA-N 0 3 296.414 3.927 20 30 CHEDHN C#CCN(Cc1cccc(OC(C)(C)C)c1)CC1CC1 ZINC001192305556 1122639736 /nfs/dbraw/zinc/63/97/36/1122639736.db2.gz YAFQEWGBUFLGPX-UHFFFAOYSA-N 0 3 271.404 3.709 20 30 CHEDHN N#Cc1ccc(CN2CCCC3(CCCC3)C2)s1 ZINC000438358623 1122693021 /nfs/dbraw/zinc/69/30/21/1122693021.db2.gz VTUNDKDEILIPJU-UHFFFAOYSA-N 0 3 260.406 3.776 20 30 CHEDHN CC(C)N(C)c1ccccc1CNCc1cccc(C#N)c1 ZINC000438345297 1122693666 /nfs/dbraw/zinc/69/36/66/1122693666.db2.gz MAUYMEQQSNDMNW-UHFFFAOYSA-N 0 3 293.414 3.693 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1F ZINC000438497686 1122704813 /nfs/dbraw/zinc/70/48/13/1122704813.db2.gz WWCKOOCYVZLQQJ-ZDUSSCGKSA-N 0 3 288.288 3.764 20 30 CHEDHN Cc1cccc(C)c1OCCN(C)Cc1ccc(C#N)cc1 ZINC000506361172 1122724531 /nfs/dbraw/zinc/72/45/31/1122724531.db2.gz GZOZKDHSLYHPFH-UHFFFAOYSA-N 0 3 294.398 3.686 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c(OC(F)F)c1 ZINC000426457658 1122797682 /nfs/dbraw/zinc/79/76/82/1122797682.db2.gz YRDSCLKXDWBXSA-JSGCOSHPSA-N 0 3 292.329 3.534 20 30 CHEDHN COc1ccc([C@H](C)CN(CCC#N)CC(C)C)cc1 ZINC000775643969 1122854551 /nfs/dbraw/zinc/85/45/51/1122854551.db2.gz WRPBNTKGWZOKPY-OAHLLOKOSA-N 0 3 274.408 3.670 20 30 CHEDHN CCn1cc(CN[C@@H](CCCC#N)c2ccccc2)c(C)n1 ZINC000894607561 1122879575 /nfs/dbraw/zinc/87/95/75/1122879575.db2.gz USESNSZFGNJZKF-SFHVURJKSA-N 0 3 296.418 3.736 20 30 CHEDHN C=CCCC[C@H](C)N(C)Cc1cnc(C(C)C)nc1 ZINC000440479624 1122908355 /nfs/dbraw/zinc/90/83/55/1122908355.db2.gz RRGFLZFTPBLXCQ-AWEZNQCLSA-N 0 3 261.413 3.777 20 30 CHEDHN CC(C)CC1(NCc2ccc(Cl)cc2C#N)CC1 ZINC001196322206 1122916884 /nfs/dbraw/zinc/91/68/84/1122916884.db2.gz LOKWHHZNIAABGW-UHFFFAOYSA-N 0 3 262.784 3.880 20 30 CHEDHN N#CCC1(CN(Cc2cccc(F)c2)C2CCC2)CC1 ZINC001197959324 1122975923 /nfs/dbraw/zinc/97/59/23/1122975923.db2.gz PBRBSKAKPVMLHU-UHFFFAOYSA-N 0 3 272.367 3.874 20 30 CHEDHN C=CCCC[C@@H](C)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000775858474 1122995435 /nfs/dbraw/zinc/99/54/35/1122995435.db2.gz ZEZSNVNSORFCMR-LLVKDONJSA-N 0 3 277.330 3.575 20 30 CHEDHN N#CC1(CN2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000775976671 1123031011 /nfs/dbraw/zinc/03/10/11/1123031011.db2.gz WALMLDDXLUWBLS-ZWKOTPCHSA-N 0 3 298.430 3.658 20 30 CHEDHN C=CCC[C@H](O)CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000183763885 1129098587 /nfs/dbraw/zinc/09/85/87/1129098587.db2.gz VZWPIAWIYQCAML-QWRGUYRKSA-N 0 3 288.218 3.971 20 30 CHEDHN C=CCN(CCCOCC(F)(F)F)Cc1cccs1 ZINC000053702084 1123127080 /nfs/dbraw/zinc/12/70/80/1123127080.db2.gz UKSVNXXNUGXEKA-UHFFFAOYSA-N 0 3 293.354 3.705 20 30 CHEDHN N#CCCN(CCCc1ccccc1)C1CCCC1 ZINC001201665071 1123136709 /nfs/dbraw/zinc/13/67/09/1123136709.db2.gz XJPNQMSKTQPUFI-UHFFFAOYSA-N 0 3 256.393 3.777 20 30 CHEDHN CCCCCCCCN1CCN(c2ccccn2)CC1 ZINC001201804609 1123151412 /nfs/dbraw/zinc/15/14/12/1123151412.db2.gz PSJZDEHXKYTBBX-UHFFFAOYSA-N 0 3 275.440 3.564 20 30 CHEDHN CCCCCCCCCCN1C[C@@H](F)C[C@H]1CO ZINC001201852946 1123152008 /nfs/dbraw/zinc/15/20/08/1123152008.db2.gz TWQBBBSECMPCOI-GJZGRUSLSA-N 0 3 259.409 3.532 20 30 CHEDHN CCCCCCCCCN1CCc2ncncc2C1 ZINC001201845963 1123156001 /nfs/dbraw/zinc/15/60/01/1123156001.db2.gz BGVVRSFVINOCDI-UHFFFAOYSA-N 0 3 261.413 3.585 20 30 CHEDHN C=CCSCCNCc1c(Cl)ccc2cccnc21 ZINC001201939288 1123157934 /nfs/dbraw/zinc/15/79/34/1123157934.db2.gz OCDPWHUQIGUXBJ-UHFFFAOYSA-N 0 3 292.835 3.897 20 30 CHEDHN C=CCCCN(C)Cc1cnc(C2CCC2)s1 ZINC000093533674 1123175781 /nfs/dbraw/zinc/17/57/81/1123175781.db2.gz XMEUFAFAGOFZOS-UHFFFAOYSA-N 0 3 250.411 3.809 20 30 CHEDHN C[C@H](CC#N)NCC1CCC(c2ccccc2)CC1 ZINC000067407562 1123180010 /nfs/dbraw/zinc/18/00/10/1123180010.db2.gz SHTJKFQISYMEKQ-HPUBIQBYSA-N 0 3 256.393 3.852 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1coc(C2CC2)n1 ZINC000850341999 1123254592 /nfs/dbraw/zinc/25/45/92/1123254592.db2.gz PCLUKACVIAEBNE-IUODEOHRSA-N 0 3 260.381 3.777 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1nccc(OC)c1F ZINC000850536724 1123287048 /nfs/dbraw/zinc/28/70/48/1123287048.db2.gz MZLFWGKNMNYGDT-CYBMUJFWSA-N 0 3 280.387 3.844 20 30 CHEDHN C[C@@H](NCC1(C#N)CCCCC1)c1ccccc1O ZINC000850549035 1123289060 /nfs/dbraw/zinc/28/90/60/1123289060.db2.gz CRNKXGHTYWIMMQ-CYBMUJFWSA-N 0 3 258.365 3.517 20 30 CHEDHN CC[C@@H](NCC1(C#N)CCCCC1)c1ccccc1O ZINC000850550316 1123289273 /nfs/dbraw/zinc/28/92/73/1123289273.db2.gz OZIRGHIXFSILHN-OAHLLOKOSA-N 0 3 272.392 3.907 20 30 CHEDHN CC[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccccc1[O-] ZINC000850550316 1123289275 /nfs/dbraw/zinc/28/92/75/1123289275.db2.gz OZIRGHIXFSILHN-OAHLLOKOSA-N 0 3 272.392 3.907 20 30 CHEDHN CN(Cc1cccc(F)c1C#N)[C@@H]1CCc2ccccc2C1 ZINC000428240357 1123295022 /nfs/dbraw/zinc/29/50/22/1123295022.db2.gz BIUAWIQVTSVUQJ-QGZVFWFLSA-N 0 3 294.373 3.687 20 30 CHEDHN N#CC(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccccn1 ZINC000850757148 1123300727 /nfs/dbraw/zinc/30/07/27/1123300727.db2.gz WYTLGYJMNHFFCC-JYJNAYRXSA-N 0 3 282.387 3.864 20 30 CHEDHN C[C@H]1CCC[C@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000059422217 1123309388 /nfs/dbraw/zinc/30/93/88/1123309388.db2.gz HIFSEVNPLNWPDD-RYUDHWBXSA-N 0 3 262.784 3.975 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1OC(=O)C1CCN(C2CC2)CC1 ZINC000851143291 1123328353 /nfs/dbraw/zinc/32/83/53/1123328353.db2.gz KKTJLEIQDVWBDG-PBHICJAKSA-N 0 3 291.435 3.539 20 30 CHEDHN CC(C)COc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442710681 1123335427 /nfs/dbraw/zinc/33/54/27/1123335427.db2.gz CWJXNBWGKSNIJD-GDBMZVCRSA-N 0 3 272.392 3.503 20 30 CHEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OCC2CC2)c1 ZINC000442781110 1123337813 /nfs/dbraw/zinc/33/78/13/1123337813.db2.gz LYORQDVKQBCPCA-NVXWUHKLSA-N 0 3 284.403 3.566 20 30 CHEDHN Cc1c(CN[C@@H]2CC[C@H](C#N)C2)oc2ccc(F)cc12 ZINC000442785405 1123337940 /nfs/dbraw/zinc/33/79/40/1123337940.db2.gz XOJRWZFNQXWFTB-WCQYABFASA-N 0 3 272.323 3.662 20 30 CHEDHN C=C[C@](C)(CC)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000443058174 1123354928 /nfs/dbraw/zinc/35/49/28/1123354928.db2.gz MJUSYILKDKGDOD-QGZVFWFLSA-N 0 3 274.408 3.597 20 30 CHEDHN CN(C/C=C\c1ccc(F)cc1F)Cc1cccc(C#N)c1 ZINC000544609685 1123365736 /nfs/dbraw/zinc/36/57/36/1123365736.db2.gz QGEUUTKJHHDJMA-UTCJRWHESA-N 0 3 298.336 3.982 20 30 CHEDHN N#CCOc1ccc(CN2CCC(c3ccco3)CC2)cc1 ZINC000852323043 1123403509 /nfs/dbraw/zinc/40/35/09/1123403509.db2.gz DSLVNBIZLZSIRK-UHFFFAOYSA-N 0 3 296.370 3.562 20 30 CHEDHN C[C@H](c1ccccc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000335702453 1123412941 /nfs/dbraw/zinc/41/29/41/1123412941.db2.gz XFLMIJCTPUJTLM-MRXNPFEDSA-N 0 3 291.398 3.700 20 30 CHEDHN N#C[C@H]1CC[C@H](NC2(c3cccc(Cl)c3)CC2)C1 ZINC000335880804 1123457481 /nfs/dbraw/zinc/45/74/81/1123457481.db2.gz YNIAXHOMAKJIAD-FZMZJTMJSA-N 0 3 260.768 3.611 20 30 CHEDHN C=CCN1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854107946 1123469347 /nfs/dbraw/zinc/46/93/47/1123469347.db2.gz USJFGSJMHSDYMT-UHFFFAOYSA-N 0 3 297.377 3.648 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2csc(Br)c2)C1 ZINC000274213824 1129130791 /nfs/dbraw/zinc/13/07/91/1129130791.db2.gz ODOZEFAREVMLRI-ONGXEEELSA-N 0 3 299.237 3.683 20 30 CHEDHN CCCC(=O)Nc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185781866 1123611484 /nfs/dbraw/zinc/61/14/84/1123611484.db2.gz XIAUJRUZYZTQCA-GDBMZVCRSA-N 0 3 299.418 3.597 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/C2CCSCC2)c([O-])c1 ZINC000194640363 1129137224 /nfs/dbraw/zinc/13/72/24/1129137224.db2.gz BVTKEPTWESGARW-SFQUDFHCSA-N 0 3 292.448 3.553 20 30 CHEDHN CCc1ccc([C@H]2C[C@H](C)CCN2CCOCCC#N)o1 ZINC000339012649 1123669820 /nfs/dbraw/zinc/66/98/20/1123669820.db2.gz UIHRDFLFDHCIRD-GDBMZVCRSA-N 0 3 290.407 3.545 20 30 CHEDHN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000346201578 1123672117 /nfs/dbraw/zinc/67/21/17/1123672117.db2.gz RBHXKKSJWQIFKL-KPZWWZAWSA-N 0 3 295.361 3.894 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000859446129 1123698551 /nfs/dbraw/zinc/69/85/51/1123698551.db2.gz VAKOMMICIMDMQM-LBPRGKRZSA-N 0 3 297.320 3.830 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2ccc(Sc3ccccn3)o2)C1 ZINC000862444655 1123812025 /nfs/dbraw/zinc/81/20/25/1123812025.db2.gz FCKXPMYAPRBRTK-CQSZACIVSA-N 0 3 298.411 3.671 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2OC2CCC2)C1 ZINC000193001159 1123868935 /nfs/dbraw/zinc/86/89/35/1123868935.db2.gz XWJDHWJPZIGTGF-HOCLYGCPSA-N 0 3 284.403 3.790 20 30 CHEDHN CC[C@@H](NCc1cc(C#N)ccc1F)c1ccc(C)cc1O ZINC000794813429 1123957514 /nfs/dbraw/zinc/95/75/14/1123957514.db2.gz DLDYJVNUYDXZQC-QGZVFWFLSA-N 0 3 298.361 3.952 20 30 CHEDHN CC(C)(C)Oc1cccc(CNCC2(CC#N)CC2)c1 ZINC000865550615 1123994607 /nfs/dbraw/zinc/99/46/07/1123994607.db2.gz CLCBCKXHZINKKX-UHFFFAOYSA-N 0 3 272.392 3.647 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1F ZINC000865830834 1124018882 /nfs/dbraw/zinc/01/88/82/1124018882.db2.gz UQWBPKNCJINZOF-TZMCWYRMSA-N 0 3 298.283 3.684 20 30 CHEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cscc1Cl)C2 ZINC000865847644 1124020501 /nfs/dbraw/zinc/02/05/01/1124020501.db2.gz HAHKMGKBYAJBAI-CQSZACIVSA-N 0 3 288.803 3.530 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(C)c(F)c2)cc1C#N ZINC000120810149 1124026404 /nfs/dbraw/zinc/02/64/04/1124026404.db2.gz QLDUPEZLLFQNRR-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN C=CCN(C)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000428372768 1124045832 /nfs/dbraw/zinc/04/58/32/1124045832.db2.gz MCIHBUBJTOQIJL-UHFFFAOYSA-N 0 3 297.398 3.892 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866283683 1124047327 /nfs/dbraw/zinc/04/73/27/1124047327.db2.gz ZKBUVMMXZZXSDS-IUCAKERBSA-N 0 3 250.729 3.706 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCCC2(CCCC2)C1 ZINC000445872448 1124105819 /nfs/dbraw/zinc/10/58/19/1124105819.db2.gz VEOWKLDMNJZTKZ-UHFFFAOYSA-N 0 3 284.403 3.723 20 30 CHEDHN C=CC[C@@H]1N(Cc2ccc(C#N)o2)CCCC1(C)C ZINC000446828670 1124124514 /nfs/dbraw/zinc/12/45/14/1124124514.db2.gz XQWFMFAPYWJVMC-HNNXBMFYSA-N 0 3 258.365 3.718 20 30 CHEDHN CN(Cc1cccc(F)c1C#N)C1CCCCCC1 ZINC000428455517 1124125214 /nfs/dbraw/zinc/12/52/14/1124125214.db2.gz SMGCIGPSFXTMCF-UHFFFAOYSA-N 0 3 260.356 3.852 20 30 CHEDHN CCc1cc(CN(C)CCOc2ccccc2)ccc1C#N ZINC001238774587 1131244105 /nfs/dbraw/zinc/24/41/05/1131244105.db2.gz JSPARIBZWLWQSY-UHFFFAOYSA-N 0 3 294.398 3.631 20 30 CHEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000447564355 1124492880 /nfs/dbraw/zinc/49/28/80/1124492880.db2.gz WTNILEIACAWPIY-SFHVURJKSA-N 0 3 275.355 3.671 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000870162509 1124547895 /nfs/dbraw/zinc/54/78/95/1124547895.db2.gz IXYUMGOWDVJRQG-GRYCIOLGSA-N 0 3 282.343 3.686 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000819951978 1131271758 /nfs/dbraw/zinc/27/17/58/1131271758.db2.gz ITHSNMJQDPHLIQ-AGIUHOORSA-N 0 3 282.343 3.830 20 30 CHEDHN CCc1ccccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000123612836 1124615293 /nfs/dbraw/zinc/61/52/93/1124615293.db2.gz HIODYRQYMROOBA-OAHLLOKOSA-N 0 3 294.398 3.830 20 30 CHEDHN CCc1ccc([C@H](COC)NC2CCC(C)(C#N)CC2)o1 ZINC000449152527 1124656587 /nfs/dbraw/zinc/65/65/87/1124656587.db2.gz GFQMVTKONYAGIO-GULBITTBSA-N 0 3 290.407 3.592 20 30 CHEDHN CC(C)OC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000872116191 1124687107 /nfs/dbraw/zinc/68/71/07/1124687107.db2.gz OZKHDEKZRZYVQE-ZDUSSCGKSA-N 0 3 290.382 3.696 20 30 CHEDHN N#CCCN[C@@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000825720135 1124825566 /nfs/dbraw/zinc/82/55/66/1124825566.db2.gz ASMGKEPNSNSIAM-UKRRQHHQSA-N 0 3 262.784 3.869 20 30 CHEDHN CC[C@@H]1CCCC[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001123381537 1131313261 /nfs/dbraw/zinc/31/32/61/1131313261.db2.gz KIRZNLLGUGXNBY-RAIGVLPGSA-N 0 3 292.329 3.752 20 30 CHEDHN C=C(Br)CN[C@@H](CC)Cc1ccccc1 ZINC000125111359 1124849963 /nfs/dbraw/zinc/84/99/63/1124849963.db2.gz JGEHRPBVBTTYJI-ZDUSSCGKSA-N 0 3 268.198 3.506 20 30 CHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1SC(C)C ZINC000876675240 1124969254 /nfs/dbraw/zinc/96/92/54/1124969254.db2.gz GQMUBAPMGYMZTA-LLVKDONJSA-N 0 3 298.839 3.596 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000876682151 1124971212 /nfs/dbraw/zinc/97/12/12/1124971212.db2.gz FZZIJHIVSCTXGU-QGZVFWFLSA-N 0 3 291.398 3.723 20 30 CHEDHN C#CCCCCCCNCc1ccn(C2CCCC2)n1 ZINC000877099045 1125009599 /nfs/dbraw/zinc/00/95/99/1125009599.db2.gz BDRPJACSCWIXGH-UHFFFAOYSA-N 0 3 273.424 3.672 20 30 CHEDHN CC[C@@H](Cc1ccccc1)N(C)CC1(C#N)CCC1 ZINC000450441691 1125025502 /nfs/dbraw/zinc/02/55/02/1125025502.db2.gz RFNDRHCBKVXADR-INIZCTEOSA-N 0 3 256.393 3.633 20 30 CHEDHN CC[C@H](Cc1ccccc1)N(C)CC1(C#N)CCC1 ZINC000450441692 1125026709 /nfs/dbraw/zinc/02/67/09/1125026709.db2.gz RFNDRHCBKVXADR-MRXNPFEDSA-N 0 3 256.393 3.633 20 30 CHEDHN C#C[C@@H](N[C@@H](C)CCc1cccnc1)c1ccc(F)cc1 ZINC000877544271 1125043556 /nfs/dbraw/zinc/04/35/56/1125043556.db2.gz NQGHTIPMYIATKS-KBXCAEBGSA-N 0 3 282.362 3.506 20 30 CHEDHN CC(C)(C)N(Cc1ccccc1)CC1(C#N)CCC1 ZINC000450494713 1125045910 /nfs/dbraw/zinc/04/59/10/1125045910.db2.gz OHGCKBFGSPNPQU-UHFFFAOYSA-N 0 3 256.393 3.981 20 30 CHEDHN CN(CCc1cccc(C#N)c1)Cc1cnc(C2CC2)s1 ZINC000877704708 1125066323 /nfs/dbraw/zinc/06/63/23/1125066323.db2.gz SINDCIFJXRWNPM-UHFFFAOYSA-N 0 3 297.427 3.567 20 30 CHEDHN C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000877757146 1125075463 /nfs/dbraw/zinc/07/54/63/1125075463.db2.gz JCYJRAHBTYGUJC-HNNXBMFYSA-N 0 3 295.382 3.645 20 30 CHEDHN C=CC[C@H](C)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000878111373 1125120355 /nfs/dbraw/zinc/12/03/55/1125120355.db2.gz BSLFNWMSGCRBPA-QMMMGPOBSA-N 0 3 275.236 3.768 20 30 CHEDHN CC[C@H]1CCCCN1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877934064 1125104555 /nfs/dbraw/zinc/10/45/55/1125104555.db2.gz AMLSUHQNQBPRPR-OALUTQOASA-N 0 3 298.430 3.692 20 30 CHEDHN C[C@H](NC[C@@H]1CCCC(C)(C)O1)c1ccc(C#N)cc1F ZINC000878406635 1125150667 /nfs/dbraw/zinc/15/06/67/1125150667.db2.gz ADJJNCSFQJUYMN-JSGCOSHPSA-N 0 3 290.382 3.696 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000740 1125242990 /nfs/dbraw/zinc/24/29/90/1125242990.db2.gz KGLFGAVMPURHQQ-BXUZGUMPSA-N 0 3 282.309 3.894 20 30 CHEDHN C=CCCC[C@@H](NCc1cnn(C)c1)c1ccccc1 ZINC000880390316 1125272323 /nfs/dbraw/zinc/27/23/23/1125272323.db2.gz YABLTSJBKGTIBW-QGZVFWFLSA-N 0 3 269.392 3.607 20 30 CHEDHN C=CCC[C@H](Cc1ccccc1)NCc1coc(CC)n1 ZINC000883227178 1125380922 /nfs/dbraw/zinc/38/09/22/1125380922.db2.gz MITWMHHQRGQKFH-MRXNPFEDSA-N 0 3 284.403 3.904 20 30 CHEDHN C=CCCC[C@H](NCc1ccncc1N)c1ccccc1 ZINC000883324947 1125396934 /nfs/dbraw/zinc/39/69/34/1125396934.db2.gz JRXDXRIBFXIWPG-SFHVURJKSA-N 0 3 281.403 3.851 20 30 CHEDHN C=CCCC[C@@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000883326494 1125397371 /nfs/dbraw/zinc/39/73/71/1125397371.db2.gz CQYJONVECWNTNL-WMLDXEAASA-N 0 3 297.402 3.930 20 30 CHEDHN C=CCCCCCC[C@@H](O)CNCc1ccc(Cl)cn1 ZINC001253248944 1125421312 /nfs/dbraw/zinc/42/13/12/1125421312.db2.gz DJAXPDSXIMKGDL-MRXNPFEDSA-N 0 3 296.842 3.712 20 30 CHEDHN C#CCOc1ccccc1CNC/C(C)=C/c1ccccc1 ZINC000734159046 1129297100 /nfs/dbraw/zinc/29/71/00/1129297100.db2.gz DVKYZISWMDUJFS-SAPNQHFASA-N 0 3 291.394 3.892 20 30 CHEDHN C=C(Cl)CNCc1cc(-c2ccccc2)ccc1O ZINC000735925280 1129360988 /nfs/dbraw/zinc/36/09/88/1129360988.db2.gz AHSDOPWRCSKVEG-UHFFFAOYSA-N 0 3 273.763 3.901 20 30 CHEDHN C[C@@H]1CC[C@@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000247737491 1129380838 /nfs/dbraw/zinc/38/08/38/1129380838.db2.gz VRDYGTRXFSDEKN-UPJWGTAASA-N 0 3 282.343 3.830 20 30 CHEDHN C=C(Br)CN1CCCC[C@@H]1[C@@H](C)CC ZINC000740423356 1129413463 /nfs/dbraw/zinc/41/34/63/1129413463.db2.gz HSEDCUHSVHYIRS-CMPLNLGQSA-N 0 3 260.219 3.796 20 30 CHEDHN C=C(Cl)CN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000795800539 1129448903 /nfs/dbraw/zinc/44/89/03/1129448903.db2.gz FOMKOMNDEXMUFQ-JTQLQIEISA-N 0 3 277.717 3.979 20 30 CHEDHN COc1ccc(CN[C@H](c2cccs2)C2CC2)cc1C#N ZINC000742366838 1129472002 /nfs/dbraw/zinc/47/20/02/1129472002.db2.gz WIOLYPGAIQWDCE-KRWDZBQOSA-N 0 3 298.411 3.869 20 30 CHEDHN C=CCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000796776073 1129476401 /nfs/dbraw/zinc/47/64/01/1129476401.db2.gz SXQHXBNTGIMFEY-LLVKDONJSA-N 0 3 268.316 3.606 20 30 CHEDHN C#CCOc1ccccc1CNCC(=C)c1ccccc1 ZINC000742718162 1129498950 /nfs/dbraw/zinc/49/89/50/1129498950.db2.gz LJBNNZZNAZGEEA-UHFFFAOYSA-N 0 3 277.367 3.502 20 30 CHEDHN CCCCCCCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000302986096 1129515152 /nfs/dbraw/zinc/51/51/52/1129515152.db2.gz VEOQROQWCJVBAM-UHFFFAOYSA-N 0 3 294.483 3.824 20 30 CHEDHN N#Cc1ccc(F)c(CN(CCc2ccccc2)C2CC2)c1 ZINC000746119524 1129626362 /nfs/dbraw/zinc/62/63/62/1129626362.db2.gz YHURKXSNAYMTTL-UHFFFAOYSA-N 0 3 294.373 3.904 20 30 CHEDHN C[C@@H](N)c1ccn(-c2ccc(C3(C#N)CCCCC3)cc2)n1 ZINC001169232964 1129711628 /nfs/dbraw/zinc/71/16/28/1129711628.db2.gz KWDAJRXWJCAJQJ-CQSZACIVSA-N 0 3 294.402 3.617 20 30 CHEDHN C=C(Br)CN(C)[C@H]1CCCC[C@H]1CC ZINC001169331192 1129718304 /nfs/dbraw/zinc/71/83/04/1129718304.db2.gz HMXIMEPEOFUXIA-NEPJUHHUSA-N 0 3 260.219 3.796 20 30 CHEDHN C=CC[C@H]1CC[C@H](NCc2ncc(CC)s2)C1 ZINC000651726772 1129746389 /nfs/dbraw/zinc/74/63/89/1129746389.db2.gz ZCHMXKYIHUHNTJ-RYUDHWBXSA-N 0 3 250.411 3.540 20 30 CHEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2nnc([C@H](C)CC)[n-]2)C1 ZINC000651785509 1129748043 /nfs/dbraw/zinc/74/80/43/1129748043.db2.gz FWWXWQNPTJPSSZ-SYQHCUMBSA-N 0 3 276.428 3.714 20 30 CHEDHN C=CC(C)(C)CN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652205354 1129760219 /nfs/dbraw/zinc/76/02/19/1129760219.db2.gz VTHJVCACAZHEGY-SFHVURJKSA-N 0 3 296.414 3.981 20 30 CHEDHN C#CCCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000766896285 1129769050 /nfs/dbraw/zinc/76/90/50/1129769050.db2.gz YSAGGSNEVIDSKW-AWEZNQCLSA-N 0 3 270.401 3.847 20 30 CHEDHN C=CCN(CCc1ccco1)C[C@@]1(C)CC1(Cl)Cl ZINC000828742926 1131397521 /nfs/dbraw/zinc/39/75/21/1131397521.db2.gz HZPJNFTZXBRGAG-CYBMUJFWSA-N 0 3 288.218 3.894 20 30 CHEDHN C=CC[C@@H](N[C@H](C)c1cncc(C)c1)c1ccncc1 ZINC000768223172 1129843591 /nfs/dbraw/zinc/84/35/91/1129843591.db2.gz KAPOAMVQNAEHAH-RHSMWYFYSA-N 0 3 267.376 3.753 20 30 CHEDHN C=CC[C@@H](N[C@@H](C)c1cncc(C)c1)c1ccncc1 ZINC000768223173 1129844595 /nfs/dbraw/zinc/84/45/95/1129844595.db2.gz KAPOAMVQNAEHAH-WMLDXEAASA-N 0 3 267.376 3.753 20 30 CHEDHN C=CCN(Cc1cnc(-c2ccncc2)s1)C(C)C ZINC000768546339 1129863169 /nfs/dbraw/zinc/86/31/69/1129863169.db2.gz AIAPWXPRNMHJBK-UHFFFAOYSA-N 0 3 273.405 3.602 20 30 CHEDHN C=CCN(Cc1ccc(OC(F)F)c(F)c1)C(C)C ZINC000768547819 1129863446 /nfs/dbraw/zinc/86/34/46/1129863446.db2.gz QOIUXNZDMOJYIN-UHFFFAOYSA-N 0 3 273.298 3.824 20 30 CHEDHN CCCCCCCCN[C@H](C)c1cc(C)n(C)n1 ZINC000800480586 1129877872 /nfs/dbraw/zinc/87/78/72/1129877872.db2.gz VWGYYHVQVKLBQJ-CQSZACIVSA-N 0 3 251.418 3.740 20 30 CHEDHN COc1ccc(CN2CCC[C@H]3CCCC[C@@H]32)c(C#N)c1 ZINC001137704477 1131404222 /nfs/dbraw/zinc/40/42/22/1131404222.db2.gz HOJVVZOZTPQWGQ-KDOFPFPSSA-N 0 3 284.403 3.721 20 30 CHEDHN C=CCN(CC=C)Cc1c[nH]c2ccc(Cl)cc12 ZINC001137713153 1131406981 /nfs/dbraw/zinc/40/69/81/1131406981.db2.gz YKGFKQWMOYDCQG-UHFFFAOYSA-N 0 3 260.768 3.995 20 30 CHEDHN CC(C)[C@H](NCCO[C@@H](C)C#N)c1ccccc1Cl ZINC000801940068 1129962266 /nfs/dbraw/zinc/96/22/66/1129962266.db2.gz UZIUSMXCMSLGKF-WFASDCNBSA-N 0 3 280.799 3.555 20 30 CHEDHN CNc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000902601762 1130030259 /nfs/dbraw/zinc/03/02/59/1130030259.db2.gz RKUSZAQNPXPYJA-LJQANCHMSA-N 0 3 291.398 3.767 20 30 CHEDHN CC[C@@H](NCc1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000902721169 1130043681 /nfs/dbraw/zinc/04/36/81/1130043681.db2.gz VJXNMLMPOIMCFI-MRXNPFEDSA-N 0 3 294.354 3.528 20 30 CHEDHN C[C@@H](NCCc1ccc(Cl)s1)c1cc(C#N)ccn1 ZINC000902773368 1130055335 /nfs/dbraw/zinc/05/53/35/1130055335.db2.gz RAAQWKANNCUHGE-SNVBAGLBSA-N 0 3 291.807 3.561 20 30 CHEDHN C=CCC[C@H](NCc1ncc(C)s1)[C@]1(C)CCCCO1 ZINC000902821809 1130063755 /nfs/dbraw/zinc/06/37/55/1130063755.db2.gz LHGHBKJECWCUIA-HOCLYGCPSA-N 0 3 294.464 3.835 20 30 CHEDHN CC[C@H](N[C@H](COC)c1ccccc1)c1cccc(C#N)c1 ZINC000902867296 1130074765 /nfs/dbraw/zinc/07/47/65/1130074765.db2.gz ZHKQPZPWPLBDMO-RBUKOAKNSA-N 0 3 294.398 3.987 20 30 CHEDHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1cc(C#N)ccn1 ZINC000902873059 1130077048 /nfs/dbraw/zinc/07/70/48/1130077048.db2.gz UOZJWAFLRRSRQV-YLQAJVPDSA-N 0 3 269.392 3.573 20 30 CHEDHN CC[C@@H](NCc1ccc2c(c1)COC2)c1cccc(C#N)c1 ZINC000902881606 1130077562 /nfs/dbraw/zinc/07/75/62/1130077562.db2.gz KSUACEUAERKKFH-LJQANCHMSA-N 0 3 292.382 3.829 20 30 CHEDHN CC[C@H](N[C@@H](C)c1cnn(CC)c1)c1cccc(C#N)c1 ZINC000903011412 1130099868 /nfs/dbraw/zinc/09/98/68/1130099868.db2.gz DZSSNXVROXFRBT-GUYCJALGSA-N 0 3 282.391 3.577 20 30 CHEDHN CC(C)[C@H](COCc1ccccc1)NCC1(C#N)CCC1 ZINC000903030930 1130102090 /nfs/dbraw/zinc/10/20/90/1130102090.db2.gz AEWFINFSFBZWFX-KRWDZBQOSA-N 0 3 286.419 3.511 20 30 CHEDHN CC[C@@H](NCc1cccnc1C)c1cccc(C#N)c1 ZINC000903070331 1130107412 /nfs/dbraw/zinc/10/74/12/1130107412.db2.gz UEMRUIGWKYVTOU-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1cc(C#N)ccc1F ZINC000786858000 1130119828 /nfs/dbraw/zinc/11/98/28/1130119828.db2.gz BWMQSJZLZHQTIH-FZKQIMNGSA-N 0 3 298.361 3.563 20 30 CHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000787029971 1130127112 /nfs/dbraw/zinc/12/71/12/1130127112.db2.gz ZKXHKMDKDGLVNO-BZNIZROVSA-N 0 3 297.789 3.945 20 30 CHEDHN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000903427147 1130175178 /nfs/dbraw/zinc/17/51/78/1130175178.db2.gz FEIJTPKLKOHNLQ-XIKOKIGWSA-N 0 3 295.361 3.894 20 30 CHEDHN C=CCC[C@H](NCCOC1CCSCC1)c1ccco1 ZINC000903446144 1130177791 /nfs/dbraw/zinc/17/77/91/1130177791.db2.gz MQMYYFYQQSOXEU-HNNXBMFYSA-N 0 3 295.448 3.789 20 30 CHEDHN N#CCOc1ccccc1Nc1ccnc(C2CC2)c1 ZINC001212599511 1130210341 /nfs/dbraw/zinc/21/03/41/1130210341.db2.gz XKSMDZJZMILJCD-UHFFFAOYSA-N 0 3 265.316 3.605 20 30 CHEDHN C=CC[C@@H](CC)N[C@H]1COCc2cccc(Cl)c21 ZINC000788814288 1130215433 /nfs/dbraw/zinc/21/54/33/1130215433.db2.gz KXJCFMBAXXVFRK-OCCSQVGLSA-N 0 3 265.784 3.856 20 30 CHEDHN CC#CCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000676755973 1130270377 /nfs/dbraw/zinc/27/03/77/1130270377.db2.gz YJTZYNQFDINMHG-AWEZNQCLSA-N 0 3 266.344 3.548 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)c1ccc(C)cc1)c1ccco1 ZINC000789744025 1130275266 /nfs/dbraw/zinc/27/52/66/1130275266.db2.gz ONCITGKNLKKFOQ-IAGOWNOFSA-N 0 3 285.387 3.919 20 30 CHEDHN Cc1cnc(C2=CCCN(Cc3ccccc3)C2)cc1C#N ZINC001240386204 1130285394 /nfs/dbraw/zinc/28/53/94/1130285394.db2.gz FJOJCRXOBKIUNI-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN Cc1ccc(C2=CCCN(Cc3ccccc3)C2)c(C#N)n1 ZINC001240388127 1130286309 /nfs/dbraw/zinc/28/63/09/1130286309.db2.gz BYCUEYXPDNQLNG-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN C=CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000826915171 1130310068 /nfs/dbraw/zinc/31/00/68/1130310068.db2.gz FDXHJVKFMDWAOO-UHFFFAOYSA-N 0 3 275.135 3.567 20 30 CHEDHN C=CC[C@@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000826947671 1130316974 /nfs/dbraw/zinc/31/69/74/1130316974.db2.gz ROMNOEOYDYIHOH-CQSZACIVSA-N 0 3 275.392 3.579 20 30 CHEDHN C=CC[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000826947671 1130316980 /nfs/dbraw/zinc/31/69/80/1130316980.db2.gz ROMNOEOYDYIHOH-CQSZACIVSA-N 0 3 275.392 3.579 20 30 CHEDHN N#CC(C(=O)C=Cc1cccnc1)c1nccc2ccccc21 ZINC000792102915 1130429203 /nfs/dbraw/zinc/42/92/03/1130429203.db2.gz KAVKWFUYDMZKKK-QWPQOLDESA-N 0 3 299.333 3.519 20 30 CHEDHN C[C@@]1(CNC2(c3cccc(C#N)c3)CC2)CC1(Cl)Cl ZINC000828691386 1130431308 /nfs/dbraw/zinc/43/13/08/1130431308.db2.gz BWYVZVMZAFADRK-ZDUSSCGKSA-N 0 3 295.213 3.721 20 30 CHEDHN CC[C@H](CC#N)NCC1(Cc2ccc(C)cc2)CC1 ZINC001255160364 1130514984 /nfs/dbraw/zinc/51/49/84/1130514984.db2.gz IWEUCCAUFBNXSF-MRXNPFEDSA-N 0 3 256.393 3.600 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)Cc1c(O)cccc1OC ZINC000793227185 1130531782 /nfs/dbraw/zinc/53/17/82/1130531782.db2.gz PFFYPALJOVUUEI-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C=CCOCCNCc1ccc(-c2ccc(C)cc2)o1 ZINC000679486383 1130532704 /nfs/dbraw/zinc/53/27/04/1130532704.db2.gz JSOKYOGTBHJUSI-UHFFFAOYSA-N 0 3 271.360 3.547 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1nccn1C(F)F ZINC000793530008 1130571839 /nfs/dbraw/zinc/57/18/39/1130571839.db2.gz VQIPKDHCBOMDLJ-LBPRGKRZSA-N 0 3 271.355 3.893 20 30 CHEDHN C=C(C)C[C@H](Oc1cccc2c1CCN(C)C2)C(=C)C ZINC001234424475 1130642805 /nfs/dbraw/zinc/64/28/05/1130642805.db2.gz QTJMQRWVJMOYOY-SFHVURJKSA-N 0 3 271.404 3.964 20 30 CHEDHN C[C@H](NCCSC(F)(F)F)c1ccc(C#N)cc1F ZINC000781422319 1130716167 /nfs/dbraw/zinc/71/61/67/1130716167.db2.gz WKLDDWOBXUNGSB-QMMMGPOBSA-N 0 3 292.301 3.601 20 30 CHEDHN C#C[C@@H](N[C@@H](C)Cc1cccs1)c1ccc(F)cc1 ZINC000812793493 1130716814 /nfs/dbraw/zinc/71/68/14/1130716814.db2.gz WLDIJJPMPWYGPY-BLLLJJGKSA-N 0 3 273.376 3.782 20 30 CHEDHN C[C@@H]1Cc2ccccc2CN1Cc1ccccc1CC#N ZINC001235524801 1130750370 /nfs/dbraw/zinc/75/03/70/1130750370.db2.gz GUIKQYFCPMUCDK-OAHLLOKOSA-N 0 3 276.383 3.699 20 30 CHEDHN COc1ccccc1[C@H](C)N(C)Cc1ccccc1CC#N ZINC001235528077 1130751845 /nfs/dbraw/zinc/75/18/45/1130751845.db2.gz MBJRDCHRPASESK-HNNXBMFYSA-N 0 3 294.398 3.954 20 30 CHEDHN CC(C)CN(CCC#N)C[C@H](C)c1ccc(F)cc1 ZINC000783506092 1130831589 /nfs/dbraw/zinc/83/15/89/1130831589.db2.gz BKJFSSLAAMFPHC-AWEZNQCLSA-N 0 3 262.372 3.801 20 30 CHEDHN N#Cc1ccc(F)c(CNC2CC(c3cccc(F)c3)C2)c1 ZINC000783572624 1130838829 /nfs/dbraw/zinc/83/88/29/1130838829.db2.gz GWRMVKLRWAGAHD-UHFFFAOYSA-N 0 3 298.336 3.872 20 30 CHEDHN CCC[N@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1[O-] ZINC000784164871 1130885569 /nfs/dbraw/zinc/88/55/69/1130885569.db2.gz ZNPWGYSKGRVDCL-UHFFFAOYSA-N 0 3 294.398 3.870 20 30 CHEDHN CCC[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1[O-] ZINC000784164871 1130885576 /nfs/dbraw/zinc/88/55/76/1130885576.db2.gz ZNPWGYSKGRVDCL-UHFFFAOYSA-N 0 3 294.398 3.870 20 30 CHEDHN C=CCN(Cc1cc(F)cc2c1OCCC2)C(C)(C)C ZINC001236627530 1130984946 /nfs/dbraw/zinc/98/49/46/1130984946.db2.gz RBCMJHGWOBJTOE-UHFFFAOYSA-N 0 3 277.383 3.937 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)C(C)(F)F ZINC000815899723 1131031971 /nfs/dbraw/zinc/03/19/71/1131031971.db2.gz ZXWRIHCIKRSHLE-IUCAKERBSA-N 0 3 294.326 3.764 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cncc(-c3ccc(C)cc3)c2)C1 ZINC001237004032 1131035834 /nfs/dbraw/zinc/03/58/34/1131035834.db2.gz VOOQDQYLZDEHIV-KRWDZBQOSA-N 0 3 290.410 3.902 20 30 CHEDHN CC(C)(C)Oc1ccccc1CN1CCC(CC#N)CC1 ZINC001237030792 1131038069 /nfs/dbraw/zinc/03/80/69/1131038069.db2.gz HGWXLMMRCOWKDH-UHFFFAOYSA-N 0 3 286.419 3.990 20 30 CHEDHN CC(C)c1ccc(C[NH+]2CCC(C)(C#N)CC2)c([O-])c1 ZINC001237047959 1131041171 /nfs/dbraw/zinc/04/11/71/1131041171.db2.gz BCADVCOCJXKIQC-UHFFFAOYSA-N 0 3 272.392 3.641 20 30 CHEDHN O=C1C=C2CN(Cc3ccc(C4CCC4)cc3)CCC2S1 ZINC001237109426 1131053337 /nfs/dbraw/zinc/05/33/37/1131053337.db2.gz RHQLTTFCULEQCZ-QGZVFWFLSA-N 0 3 299.439 3.728 20 30 CHEDHN O=C1C=C2CN(Cc3ccc(C4CCC4)cc3)CC[C@H]2S1 ZINC001237109426 1131053343 /nfs/dbraw/zinc/05/33/43/1131053343.db2.gz RHQLTTFCULEQCZ-QGZVFWFLSA-N 0 3 299.439 3.728 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c2cccnc12 ZINC001237425275 1131097501 /nfs/dbraw/zinc/09/75/01/1131097501.db2.gz DICVMYLGHWBMMK-XMQYKBBCSA-N 0 3 295.361 3.640 20 30 CHEDHN C=CCN(CC=C)Cc1ccccc1C1CCOCC1 ZINC001237904437 1131149617 /nfs/dbraw/zinc/14/96/17/1131149617.db2.gz JQNTVQRFRIFGBD-UHFFFAOYSA-N 0 3 271.404 3.755 20 30 CHEDHN C=CCC[C@H](NCc1cc(C)n[nH]1)c1ccccc1 ZINC001116488290 1131149946 /nfs/dbraw/zinc/14/99/46/1131149946.db2.gz QQXGKEJRSWSTIW-INIZCTEOSA-N 0 3 255.365 3.515 20 30 CHEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC001116621473 1131158043 /nfs/dbraw/zinc/15/80/43/1131158043.db2.gz VUZXNOYBVWHUHW-UKRRQHHQSA-N 0 3 277.408 3.716 20 30 CHEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC001116621471 1131158360 /nfs/dbraw/zinc/15/83/60/1131158360.db2.gz VUZXNOYBVWHUHW-DZGCQCFKSA-N 0 3 277.408 3.716 20 30 CHEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001116642908 1131159214 /nfs/dbraw/zinc/15/92/14/1131159214.db2.gz DNDNDOVLAHYLJZ-GXSJLCMTSA-N 0 3 274.191 3.845 20 30 CHEDHN CCOc1cc(CN(C)Cc2cccc(C#N)c2)ccc1C ZINC001238073789 1131168168 /nfs/dbraw/zinc/16/81/68/1131168168.db2.gz FPGOLCZUAYAPMF-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN CN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CC1(C)C ZINC001238086481 1131169101 /nfs/dbraw/zinc/16/91/01/1131169101.db2.gz HFUJFZMWBUNTMB-ZDUSSCGKSA-N 0 3 262.784 3.690 20 30 CHEDHN C[C@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238189873 1131178092 /nfs/dbraw/zinc/17/80/92/1131178092.db2.gz YFSKTNKUAGMMEI-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN CC[C@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238192631 1131179901 /nfs/dbraw/zinc/17/99/01/1131179901.db2.gz UOGLEJRXIUUBNP-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCN(C)Cc1ccc(O)c(OCc2ccccc2)c1 ZINC001238251166 1131187507 /nfs/dbraw/zinc/18/75/07/1131187507.db2.gz FZMMQRMFZPONSK-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C=C[C@H](COC)NCc1ccc(C2CCCC2)cc1 ZINC001117657315 1131191817 /nfs/dbraw/zinc/19/18/17/1131191817.db2.gz SFMSXTKURLBIAQ-QGZVFWFLSA-N 0 3 259.393 3.635 20 30 CHEDHN N#Cc1ccccc1CN[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170898614 1131208069 /nfs/dbraw/zinc/20/80/69/1131208069.db2.gz WUGDYROCDHVZKQ-MRXNPFEDSA-N 0 3 296.801 3.859 20 30 CHEDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1[O-] ZINC000818357018 1131211768 /nfs/dbraw/zinc/21/17/68/1131211768.db2.gz UPOCANDTIICXFT-NTZNESFSSA-N 0 3 278.783 3.697 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238559363 1131215927 /nfs/dbraw/zinc/21/59/27/1131215927.db2.gz UVRRUIRTYLUPBD-OAHLLOKOSA-N 0 3 294.373 3.733 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc(O)c3ccccc23)CC1 ZINC001138061729 1131460172 /nfs/dbraw/zinc/46/01/72/1131460172.db2.gz SJLAWJLPIZRQTB-UHFFFAOYSA-N 0 3 280.371 3.671 20 30 CHEDHN C=C(C)CCNCc1cnn(Cc2ccccc2)c1Cl ZINC000824751509 1131483835 /nfs/dbraw/zinc/48/38/35/1131483835.db2.gz YSUDIPKOHULRJK-UHFFFAOYSA-N 0 3 289.810 3.641 20 30 CHEDHN C=C(C)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824750758 1131484240 /nfs/dbraw/zinc/48/42/40/1131484240.db2.gz NTNFYJTYBHPPGR-UHFFFAOYSA-N 0 3 289.162 3.957 20 30 CHEDHN C=CCN(CC=C)Cc1c[nH]c2c1cccc2CC ZINC001138361748 1131494932 /nfs/dbraw/zinc/49/49/32/1131494932.db2.gz RLLFKXYUMUFVOU-UHFFFAOYSA-N 0 3 254.377 3.904 20 30 CHEDHN CCc1cccc2c(CN3CCC(C)(C#N)CC3)c[nH]c21 ZINC001138366402 1131495046 /nfs/dbraw/zinc/49/50/46/1131495046.db2.gz XSPQVDABKBOWIY-UHFFFAOYSA-N 0 3 281.403 3.856 20 30 CHEDHN C=CCN(Cc1cc(F)c(OC)c(F)c1)C(C)(C)C ZINC001138426777 1131504031 /nfs/dbraw/zinc/50/40/31/1131504031.db2.gz IVBYLPNSXNKVMD-UHFFFAOYSA-N 0 3 269.335 3.760 20 30 CHEDHN CCCc1ccc(CN2CCC[C@@H](C#N)CC2)s1 ZINC001138525495 1131516005 /nfs/dbraw/zinc/51/60/05/1131516005.db2.gz DODHCUXMRVJNNI-CYBMUJFWSA-N 0 3 262.422 3.826 20 30 CHEDHN C#CCOc1ccc(CN2CCc3ccc(C)cc3C2)cc1 ZINC001138556188 1131521560 /nfs/dbraw/zinc/52/15/60/1131521560.db2.gz JMJPCLSAMDFGDL-UHFFFAOYSA-N 0 3 291.394 3.565 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)C[C@H]2CC2(C)C)c1[O-] ZINC001138627990 1131528024 /nfs/dbraw/zinc/52/80/24/1131528024.db2.gz LCEZZVIOIWBKTK-OAHLLOKOSA-N 0 3 259.393 3.599 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)C[C@H]2CC2(C)C)c1[O-] ZINC001138627990 1131528025 /nfs/dbraw/zinc/52/80/25/1131528025.db2.gz LCEZZVIOIWBKTK-OAHLLOKOSA-N 0 3 259.393 3.599 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1[O-] ZINC001138626091 1131528432 /nfs/dbraw/zinc/52/84/32/1131528432.db2.gz ZZYZTQPFPCVUPS-HOCLYGCPSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1[O-] ZINC001138626091 1131528436 /nfs/dbraw/zinc/52/84/36/1131528436.db2.gz ZZYZTQPFPCVUPS-HOCLYGCPSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(CN(Cc2ccco2)C2CC2)c1O ZINC001138629866 1131529551 /nfs/dbraw/zinc/52/95/51/1131529551.db2.gz JSPSWTDQYQGIFN-UHFFFAOYSA-N 0 3 283.371 3.878 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC3(CCCC3)C2)c1[O-] ZINC001138628881 1131529865 /nfs/dbraw/zinc/52/98/65/1131529865.db2.gz IKXNZMLRTUHZEW-UHFFFAOYSA-N 0 3 271.404 3.887 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC3(CCCC3)C2)c1[O-] ZINC001138628881 1131529867 /nfs/dbraw/zinc/52/98/67/1131529867.db2.gz IKXNZMLRTUHZEW-UHFFFAOYSA-N 0 3 271.404 3.887 20 30 CHEDHN N#CCC1CCN(Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001138836072 1131554707 /nfs/dbraw/zinc/55/47/07/1131554707.db2.gz YDFJAAAFKDDKJL-UHFFFAOYSA-N 0 3 287.794 3.947 20 30 CHEDHN C=CCOc1ccccc1CN1CCc2ccccc2CC1 ZINC001139029566 1131574663 /nfs/dbraw/zinc/57/46/63/1131574663.db2.gz DTNWUSBFUTUFPA-UHFFFAOYSA-N 0 3 293.410 3.852 20 30 CHEDHN CCc1cc(CN2CCC[C@@H](CC#N)C2)cc(CC)c1O ZINC001144148138 1131592175 /nfs/dbraw/zinc/59/21/75/1131592175.db2.gz MGQQYJHHGNPIDG-AWEZNQCLSA-N 0 3 286.419 3.643 20 30 CHEDHN C=CCN(CC=C)Cc1ccc2cc(O)ccc2c1 ZINC001139339350 1131602495 /nfs/dbraw/zinc/60/24/95/1131602495.db2.gz UZXOEHORZVWXRV-UHFFFAOYSA-N 0 3 253.345 3.719 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139519869 1131612779 /nfs/dbraw/zinc/61/27/79/1131612779.db2.gz YKFOBCDOVNINAU-MRXNPFEDSA-N 0 3 276.383 3.594 20 30 CHEDHN C[C@H]1CN(Cc2c[nH]c3c2cccc3C#N)CCC1(F)F ZINC001139701871 1131630106 /nfs/dbraw/zinc/63/01/06/1131630106.db2.gz RCEGIYCOUXCENT-NSHDSACASA-N 0 3 289.329 3.517 20 30 CHEDHN Cc1ccc(CN2CCC3(CCC(=O)CC3)CC2)cc1C#N ZINC001139726088 1131631944 /nfs/dbraw/zinc/63/19/44/1131631944.db2.gz QVVJYRCNLBIMDI-UHFFFAOYSA-N 0 3 296.414 3.592 20 30 CHEDHN CCN(Cc1ccc(OC)cc1)Cc1ccc(C)c(C#N)c1 ZINC001139725766 1131632295 /nfs/dbraw/zinc/63/22/95/1131632295.db2.gz BKIDHBMVMAHJOH-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN Cc1nc([C@H](C)N[C@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171181355 1131633194 /nfs/dbraw/zinc/63/31/94/1131633194.db2.gz KCHKEKUFUCKCBG-NEPJUHHUSA-N 0 3 285.416 3.605 20 30 CHEDHN CCCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000845446900 1131635368 /nfs/dbraw/zinc/63/53/68/1131635368.db2.gz WATRDAHFBOOBHJ-NSHDSACASA-N 0 3 270.332 3.830 20 30 CHEDHN CCCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000845446899 1131635374 /nfs/dbraw/zinc/63/53/74/1131635374.db2.gz WATRDAHFBOOBHJ-LLVKDONJSA-N 0 3 270.332 3.830 20 30 CHEDHN C=CCn1cc(CN2CCC[C@H]2c2cccc(C)c2)cn1 ZINC001139765474 1131635827 /nfs/dbraw/zinc/63/58/27/1131635827.db2.gz DCTLDLHEOKXLCL-SFHVURJKSA-N 0 3 281.403 3.715 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@H](C(F)F)C3)c2c1 ZINC001140115266 1131665234 /nfs/dbraw/zinc/66/52/34/1131665234.db2.gz SIPFRZDEYSTDGT-LBPRGKRZSA-N 0 3 289.329 3.517 20 30 CHEDHN C=CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccncc1 ZINC000834590350 1131685809 /nfs/dbraw/zinc/68/58/09/1131685809.db2.gz UHMITFREVVNWNS-HOTGVXAUSA-N 0 3 280.371 3.682 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N(C)Cc1ccccc1F ZINC001171221722 1131707264 /nfs/dbraw/zinc/70/72/64/1131707264.db2.gz TVGSAWRMKJMVPQ-CQSZACIVSA-N 0 3 282.362 3.760 20 30 CHEDHN CC1(C#N)CCN(Cc2ccccc2-c2nccs2)CC1 ZINC001140453307 1131744474 /nfs/dbraw/zinc/74/44/74/1131744474.db2.gz QKFSYZMMXRGTRZ-UHFFFAOYSA-N 0 3 297.427 3.936 20 30 CHEDHN C[C@@H]1C[C@@H](C)CN(Cc2cccc(C#N)c2Cl)C1 ZINC001140809940 1131932777 /nfs/dbraw/zinc/93/27/77/1131932777.db2.gz NSWCMZHMCIXFIO-VXGBXAGGSA-N 0 3 262.784 3.690 20 30 CHEDHN CC1=CCC[C@H](C)[C@H]1C=Nn1cnnc1-c1ccccc1 ZINC000773190428 1131982036 /nfs/dbraw/zinc/98/20/36/1131982036.db2.gz NUNWXZVEIUEKOP-HOCLYGCPSA-N 0 3 280.375 3.771 20 30 CHEDHN CC1=CCC[C@H](C)[C@@H]1C=Nn1cnnc1-c1ccccc1 ZINC000773190426 1131982425 /nfs/dbraw/zinc/98/24/25/1131982425.db2.gz NUNWXZVEIUEKOP-GOEBONIOSA-N 0 3 280.375 3.771 20 30 CHEDHN CC1=CCC[C@@H](C)[C@@H]1C=Nn1cnnc1-c1ccccc1 ZINC000773190424 1131982889 /nfs/dbraw/zinc/98/28/89/1131982889.db2.gz NUNWXZVEIUEKOP-GDBMZVCRSA-N 0 3 280.375 3.771 20 30 CHEDHN C=C[C@H](C#CC(C)(C)C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228943000 1131982925 /nfs/dbraw/zinc/98/29/25/1131982925.db2.gz CGAPQAREGIROED-QGZVFWFLSA-N 0 3 283.415 3.657 20 30 CHEDHN C=CCN(CC=C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076565 1132005859 /nfs/dbraw/zinc/00/58/59/1132005859.db2.gz UZTBGCCNFAXPHH-UHFFFAOYSA-N 0 3 282.431 3.559 20 30 CHEDHN N#Cc1c(N)sc(CN2CCC[C@@H]3CCC[C@H]32)c1Cl ZINC001141114051 1132022078 /nfs/dbraw/zinc/02/20/78/1132022078.db2.gz BYICMCJOYXSFGA-GXSJLCMTSA-N 0 3 295.839 3.620 20 30 CHEDHN CC(C)C[C@](C)(C#N)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171741439 1132097452 /nfs/dbraw/zinc/09/74/52/1132097452.db2.gz PNQZTMVZCLENJF-QXAKKESOSA-N 0 3 299.462 3.567 20 30 CHEDHN C[C@@H](CC(C)(C)S)Oc1ccccc1CN(C)C ZINC001229701245 1132108147 /nfs/dbraw/zinc/10/81/47/1132108147.db2.gz HFDSLEWFWVYPJY-LBPRGKRZSA-N 0 3 267.438 3.614 20 30 CHEDHN CCCN(CCC#N)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171928900 1132114501 /nfs/dbraw/zinc/11/45/01/1132114501.db2.gz ZNCDCEFKQPTPLT-UHFFFAOYSA-N 0 3 294.439 3.513 20 30 CHEDHN C=C(Br)CNC1CC(C)(c2ccccc2)C1 ZINC000838937578 1132161116 /nfs/dbraw/zinc/16/11/16/1132161116.db2.gz MUEYDVIIIYGFAG-UHFFFAOYSA-N 0 3 280.209 3.605 20 30 CHEDHN Cc1ccc(F)c(CN[C@@H](C)CCCC#N)c1Cl ZINC001172477955 1132227321 /nfs/dbraw/zinc/22/73/21/1132227321.db2.gz AJISHAKSCWETKH-NSHDSACASA-N 0 3 268.763 3.960 20 30 CHEDHN C[C@@H](CCCC#N)NCc1coc(-c2ccc(F)cc2)n1 ZINC001172492877 1132246596 /nfs/dbraw/zinc/24/65/96/1132246596.db2.gz PGXWRRJLQUQJOZ-LBPRGKRZSA-N 0 3 287.338 3.653 20 30 CHEDHN C[C@@H](CCCC#N)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001172494454 1132248912 /nfs/dbraw/zinc/24/89/12/1132248912.db2.gz UXJIKQOVBKGPII-QFBILLFUSA-N 0 3 293.414 3.975 20 30 CHEDHN CCCCCCCC[C@@H](CC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172505247 1132253708 /nfs/dbraw/zinc/25/37/08/1132253708.db2.gz KXZDIEZVJSVMJV-HZPDHXFCSA-N 0 3 295.471 3.617 20 30 CHEDHN CCCCCCCC[C@@H](CC)N1CC(N2CC(F)C2)C1 ZINC001172505737 1132254319 /nfs/dbraw/zinc/25/43/19/1132254319.db2.gz TXYOYXHKMHZOET-MRXNPFEDSA-N 0 3 284.463 3.854 20 30 CHEDHN N#C[C@@H]1CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172551473 1132264408 /nfs/dbraw/zinc/26/44/08/1132264408.db2.gz HKUNXOIDDAKZCA-USXIJHARSA-N 0 3 254.377 3.558 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)c(C)c1 ZINC000840714280 1132276180 /nfs/dbraw/zinc/27/61/80/1132276180.db2.gz SUWURKJFVAEUQP-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172540893 1132276986 /nfs/dbraw/zinc/27/69/86/1132276986.db2.gz RCDDDQRIYUPXAD-CVEARBPZSA-N 0 3 254.377 3.606 20 30 CHEDHN C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)c2c1c(F)ccc2[O-] ZINC000840787118 1132286340 /nfs/dbraw/zinc/28/63/40/1132286340.db2.gz IFRRZLOGVFRCRB-CMPLNLGQSA-N 0 3 276.355 3.609 20 30 CHEDHN C#CCN(C)Cc1c2ccccc2n(C)c1-c1ccccc1 ZINC001231573132 1132316371 /nfs/dbraw/zinc/31/63/71/1132316371.db2.gz OWBQVSJYOHPSNZ-UHFFFAOYSA-N 0 3 288.394 3.910 20 30 CHEDHN C#Cc1cccc(CN2CCCC[C@H]2c2cccnc2)c1 ZINC001231659368 1132339548 /nfs/dbraw/zinc/33/95/48/1132339548.db2.gz KGYMEOZPRVMJKG-IBGZPJMESA-N 0 3 276.383 3.790 20 30 CHEDHN C#Cc1cccc(CN(C)Cc2ccc(Cl)cc2)c1 ZINC001231659774 1132340178 /nfs/dbraw/zinc/34/01/78/1132340178.db2.gz UZKIEYRSEQNSQP-UHFFFAOYSA-N 0 3 269.775 3.953 20 30 CHEDHN C#Cc1cccc(CN(CC)Cc2ccc(F)cc2)c1 ZINC001231663367 1132341879 /nfs/dbraw/zinc/34/18/79/1132341879.db2.gz QWAFBJPAAAKLKB-UHFFFAOYSA-N 0 3 267.347 3.829 20 30 CHEDHN C=CCN1CCN(Cc2ccccc2-c2ccccc2)CC1 ZINC001142339374 1132370639 /nfs/dbraw/zinc/37/06/39/1132370639.db2.gz QQPRIEUDSGIZAP-UHFFFAOYSA-N 0 3 292.426 3.657 20 30 CHEDHN FC(F)CON=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841633374 1132380114 /nfs/dbraw/zinc/38/01/14/1132380114.db2.gz VORPOLGPNUPESB-OAHLLOKOSA-N 0 3 294.345 3.624 20 30 CHEDHN C=CCN(Cc1cccc(C(F)(F)F)n1)C(C)(C)C ZINC001232074943 1132418907 /nfs/dbraw/zinc/41/89/07/1132418907.db2.gz MEKZKNKUNSRMKP-UHFFFAOYSA-N 0 3 272.314 3.887 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)c(Cl)c2)C2(CC2)C1 ZINC001232117009 1132425561 /nfs/dbraw/zinc/42/55/61/1132425561.db2.gz TZARJTZOAUYCHE-NSHDSACASA-N 0 3 260.768 3.586 20 30 CHEDHN N#Cc1ccc2c(CN3CCc4ccsc4C3)c[nH]c2c1 ZINC001142921710 1132479341 /nfs/dbraw/zinc/47/93/41/1132479341.db2.gz UGEYXQBTDMKNHQ-UHFFFAOYSA-N 0 3 293.395 3.659 20 30 CHEDHN C=CCC1(NCc2snc(OC)c2Cl)CCCC1 ZINC001203136502 1132528852 /nfs/dbraw/zinc/52/88/52/1132528852.db2.gz PVCBTWMBHISRMS-UHFFFAOYSA-N 0 3 286.828 3.784 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2cnc(C(C)C)s2)C1 ZINC000843423304 1132530953 /nfs/dbraw/zinc/53/09/53/1132530953.db2.gz CAEQESXYLAGLIY-CYBMUJFWSA-N 0 3 262.422 3.502 20 30 CHEDHN C=CCN(CC=C)Cc1cc(C(C)(C)C)ccc1O ZINC001233286099 1132594352 /nfs/dbraw/zinc/59/43/52/1132594352.db2.gz FJXJQWSXXQYVGS-UHFFFAOYSA-N 0 3 259.393 3.864 20 30 CHEDHN CCCCCCCN(CC)Cc1cncc(Cl)n1 ZINC001233448950 1132625172 /nfs/dbraw/zinc/62/51/72/1132625172.db2.gz KPUVPAQFHIBZPF-UHFFFAOYSA-N 0 3 269.820 3.922 20 30 CHEDHN CN(C)Cc1ccccc1Nc1sc2c(c1C#N)CCC2 ZINC001173929490 1132643015 /nfs/dbraw/zinc/64/30/15/1132643015.db2.gz RDLIESMQGXLPIO-UHFFFAOYSA-N 0 3 297.427 3.914 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cc(F)ccc1C#N ZINC001173931395 1132644155 /nfs/dbraw/zinc/64/41/55/1132644155.db2.gz IYJQBAVUBXEPJZ-UHFFFAOYSA-N 0 3 269.323 3.503 20 30 CHEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)c(F)c1 ZINC001173932329 1132646626 /nfs/dbraw/zinc/64/66/26/1132646626.db2.gz RXDAWEBTGFXVOP-UHFFFAOYSA-N 0 3 269.323 3.503 20 30 CHEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3ccsc3)C2)cc1 ZINC001204046435 1133404052 /nfs/dbraw/zinc/40/40/52/1133404052.db2.gz YLEHDRKCJSAKCN-QGZVFWFLSA-N 0 3 298.411 3.663 20 30 CHEDHN C#CCN(Cc1ccc(O)cc1)[C@@H]1CCc2ccccc21 ZINC001204098075 1133407823 /nfs/dbraw/zinc/40/78/23/1133407823.db2.gz VVENKUNUPHRUCM-LJQANCHMSA-N 0 3 277.367 3.515 20 30 CHEDHN C=CCOc1ccc(CN2CCCC[C@@](C)(F)C2)cc1 ZINC001204297097 1133430929 /nfs/dbraw/zinc/43/09/29/1133430929.db2.gz APINWJAQOHJLMB-QGZVFWFLSA-N 0 3 277.383 3.966 20 30 CHEDHN C=CCOc1ccc(CN2CCC(OCCC)CC2)cc1 ZINC001204300094 1133432684 /nfs/dbraw/zinc/43/26/84/1133432684.db2.gz JKXCQHLCZCPCJG-UHFFFAOYSA-N 0 3 289.419 3.642 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1cc(F)cc(OC)c1 ZINC001204984112 1133512630 /nfs/dbraw/zinc/51/26/30/1133512630.db2.gz FSXOYFDSPYPOSC-UHFFFAOYSA-N 0 3 289.350 3.658 20 30 CHEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(C(C)C)CC1 ZINC001205752645 1133609684 /nfs/dbraw/zinc/60/96/84/1133609684.db2.gz NNAHOBOLCKKIGU-UHFFFAOYSA-N 0 3 277.408 3.586 20 30 CHEDHN COC(C)(C)CCC[C@H](C)CCN1CC[C@@](C)(C#N)C1 ZINC001208214518 1133908919 /nfs/dbraw/zinc/90/89/19/1133908919.db2.gz TZWCHOKELLUWJQ-RDJZCZTQSA-N 0 3 280.456 3.843 20 30 CHEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)OCc1ccccc1 ZINC001208705559 1133932819 /nfs/dbraw/zinc/93/28/19/1133932819.db2.gz YHVQMGXGKVOECS-INIZCTEOSA-N 0 3 294.398 3.595 20 30 CHEDHN N#Cc1cccc(CCCN2CCc3sccc3C2)c1 ZINC001208851355 1133951824 /nfs/dbraw/zinc/95/18/24/1133951824.db2.gz FFDJHLHARSOQPF-UHFFFAOYSA-N 0 3 282.412 3.611 20 30 CHEDHN C=CCCCCN1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001209206816 1133988256 /nfs/dbraw/zinc/98/82/56/1133988256.db2.gz BIVUGAZQRBDYJX-GASCZTMLSA-N 0 3 293.414 3.873 20 30 CHEDHN CCCCN(CCC#N)CCCCOCc1ccccc1 ZINC001209258573 1133998584 /nfs/dbraw/zinc/99/85/84/1133998584.db2.gz HOUMWJCHXKNMDI-UHFFFAOYSA-N 0 3 288.435 3.999 20 30 CHEDHN C=CCN(CC=C)CCc1ccccc1C(F)(F)F ZINC001209284894 1134002393 /nfs/dbraw/zinc/00/23/93/1134002393.db2.gz YDTLHKFAGIXOPH-UHFFFAOYSA-N 0 3 269.310 3.922 20 30 CHEDHN COc1cc(C#N)ccc1Nc1ccnc(C2CCC2)c1 ZINC001209325939 1134005562 /nfs/dbraw/zinc/00/55/62/1134005562.db2.gz MYRWUTNDQCVKHS-UHFFFAOYSA-N 0 3 279.343 3.973 20 30 CHEDHN CN(Cc1c[nH]c2cc(F)ccc12)Cc1cccc(C#N)c1 ZINC001209695854 1134051645 /nfs/dbraw/zinc/05/16/45/1134051645.db2.gz OYEHKPNVGDJTKW-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN CC1(C)CC(=O)C=C(Nc2cnccc2N2CCCCC2)C1 ZINC001210150715 1134156788 /nfs/dbraw/zinc/15/67/88/1134156788.db2.gz JGEKDGVOYIYSBL-UHFFFAOYSA-N 0 3 299.418 3.757 20 30 CHEDHN C=CCCCCCCCCO[C@H]1CCNC[C@@H]1F ZINC001217793663 1135002379 /nfs/dbraw/zinc/00/23/79/1135002379.db2.gz DFGACFHRRXEHGG-GJZGRUSLSA-N 0 3 257.393 3.620 20 30 CHEDHN C=CCCCCCC[C@@H](C)OC[C@@H]1COC(C)(C)N1 ZINC001217895810 1135019494 /nfs/dbraw/zinc/01/94/94/1135019494.db2.gz UJOZUOCOOVKOQH-HUUCEWRRSA-N 0 3 269.429 3.643 20 30 CHEDHN C=CC[C@@H](OC[C@@H]1COC(C)(C)N1)c1ccc(Cl)cc1 ZINC001217930788 1135026821 /nfs/dbraw/zinc/02/68/21/1135026821.db2.gz MOGPCCHPTLYXQD-HUUCEWRRSA-N 0 3 295.810 3.698 20 30 CHEDHN C=C(CO[C@H]1CNCc2ccccc21)c1ccccc1 ZINC001217942139 1135028542 /nfs/dbraw/zinc/02/85/42/1135028542.db2.gz WEPHMINLQQTHGF-SFHVURJKSA-N 0 3 265.356 3.561 20 30 CHEDHN C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2cccc3c2CNC3)O1 ZINC001218296412 1135081437 /nfs/dbraw/zinc/08/14/37/1135081437.db2.gz KLGSLFBFVOWGAN-FUHWJXTLSA-N 0 3 287.403 3.571 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001220288581 1135149807 /nfs/dbraw/zinc/14/98/07/1135149807.db2.gz BQNVDRNPWDYLJG-JYJNAYRXSA-N 0 3 294.483 3.781 20 30 CHEDHN CCN1CC[C@@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224086535 1135417391 /nfs/dbraw/zinc/41/73/91/1135417391.db2.gz CPHUNEPTXBMBAC-MLSMBGFSSA-N 0 3 294.398 3.876 20 30 CHEDHN CCN1CC[C@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224086536 1135417508 /nfs/dbraw/zinc/41/75/08/1135417508.db2.gz CPHUNEPTXBMBAC-NQKFGRBQSA-N 0 3 294.398 3.876 20 30 CHEDHN C=C(C)CCCO[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224280826 1135435213 /nfs/dbraw/zinc/43/52/13/1135435213.db2.gz DGYNJGIUWWKCQE-IAGOWNOFSA-N 0 3 288.435 3.980 20 30 CHEDHN COc1cc(C)ccc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000574156748 334996509 /nfs/dbraw/zinc/99/65/09/334996509.db2.gz IDZQTWTZTWADJE-OAHLLOKOSA-N 0 3 294.398 3.921 20 30 CHEDHN CCC[C@H](CCc1ccccc1)NCC1(C#N)CC1 ZINC000574350906 335012690 /nfs/dbraw/zinc/01/26/90/335012690.db2.gz PYVCOCXTIWRCGZ-MRXNPFEDSA-N 0 3 256.393 3.681 20 30 CHEDHN C[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177358139 261350525 /nfs/dbraw/zinc/35/05/25/261350525.db2.gz OKBLVMKPUMZFRI-GFCCVEGCSA-N 0 3 267.294 3.541 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccccc1SC ZINC000184086054 262008120 /nfs/dbraw/zinc/00/81/20/262008120.db2.gz PLKLZFJKENXKFS-GXTWGEPZSA-N 0 3 262.422 3.621 20 30 CHEDHN CCCC[C@H](COC)N[C@H](C)c1ccc(C#N)cc1F ZINC000512636331 260025249 /nfs/dbraw/zinc/02/52/49/260025249.db2.gz LCEXOJKZMBHIIX-TZMCWYRMSA-N 0 3 278.371 3.553 20 30 CHEDHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccc(C#N)c(F)c1 ZINC000335960450 533518356 /nfs/dbraw/zinc/51/83/56/533518356.db2.gz APPOOSNWKCKKPZ-ZWNOBZJWSA-N 0 3 282.309 3.926 20 30 CHEDHN Cc1ccsc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000035256376 172086996 /nfs/dbraw/zinc/08/69/96/172086996.db2.gz RRPOJCPDOYYMLI-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CCc3ccccc32)c(F)c1 ZINC000344359252 225041601 /nfs/dbraw/zinc/04/16/01/225041601.db2.gz YBJNDFJLHQPUJN-OAHLLOKOSA-N 0 3 280.346 3.517 20 30 CHEDHN CCN(Cc1ccc(Cl)cc1)[C@@H](C)CCC#N ZINC000411201572 262684280 /nfs/dbraw/zinc/68/42/80/262684280.db2.gz LQGPWDLVOLBLIF-LBPRGKRZSA-N 0 3 250.773 3.854 20 30 CHEDHN C[C@@H](NCCCC1CCOCC1)c1ccc(C#N)cc1F ZINC000347473107 226176561 /nfs/dbraw/zinc/17/65/61/226176561.db2.gz UGBNPDYEVSIYAL-CYBMUJFWSA-N 0 3 290.382 3.555 20 30 CHEDHN N#Cc1cccc(CNCc2ccc3occc3c2)c1 ZINC000352758525 227209436 /nfs/dbraw/zinc/20/94/36/227209436.db2.gz ZKQZZUZQXMGODL-UHFFFAOYSA-N 0 3 262.312 3.594 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000352819193 227257288 /nfs/dbraw/zinc/25/72/88/227257288.db2.gz ADGOLCBVIJSPIP-HOCLYGCPSA-N 0 3 297.427 3.516 20 30 CHEDHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000330266551 228085601 /nfs/dbraw/zinc/08/56/01/228085601.db2.gz AFNPTGILHQHBMV-CQSZACIVSA-N 0 3 275.396 3.720 20 30 CHEDHN N#Cc1csc(CN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000353843618 228158481 /nfs/dbraw/zinc/15/84/81/228158481.db2.gz IZCXBLOEOSLDGV-ZFWWWQNUSA-N 0 3 260.406 3.774 20 30 CHEDHN CC(C#N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000336130724 228193448 /nfs/dbraw/zinc/19/34/48/228193448.db2.gz XDKXYVRKNMCARD-BDAKNGLRSA-N 0 3 297.185 3.599 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000497132930 260072066 /nfs/dbraw/zinc/07/20/66/260072066.db2.gz SPLVQXMWVCABCD-UHFFFAOYSA-N 0 3 275.726 3.949 20 30 CHEDHN CC(C)(C#N)CCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000363468738 260274964 /nfs/dbraw/zinc/27/49/64/260274964.db2.gz MHYIJVZUGHCXGN-SJORKVTESA-N 0 3 286.419 3.514 20 30 CHEDHN C=CCCOCCN[C@H](C)c1oc2ccccc2c1C ZINC000090883707 260429600 /nfs/dbraw/zinc/42/96/00/260429600.db2.gz ZVOUCCWVGIGPMH-CQSZACIVSA-N 0 3 273.376 3.985 20 30 CHEDHN C=CCN(CC=C)[C@@H](CNc1nccc2occc21)C(C)C ZINC000525642450 260789210 /nfs/dbraw/zinc/78/92/10/260789210.db2.gz WYNIFICUQXKEFX-INIZCTEOSA-N 0 3 299.418 3.938 20 30 CHEDHN COc1ccc(CN[C@@H]2CCCc3ccccc32)cc1C#N ZINC000172688326 260926949 /nfs/dbraw/zinc/92/69/49/260926949.db2.gz LOWIRBNELXLPRR-GOSISDBHSA-N 0 3 292.382 3.734 20 30 CHEDHN Cc1cc(CNCCc2csc(C(C)C)n2)ccc1C#N ZINC000443964806 260942705 /nfs/dbraw/zinc/94/27/05/260942705.db2.gz JFUYAOSGFOLHIG-UHFFFAOYSA-N 0 3 299.443 3.779 20 30 CHEDHN C[C@H]1COc2ccccc2CN1CCCCC(C)(C)C#N ZINC000444690974 261077854 /nfs/dbraw/zinc/07/78/54/261077854.db2.gz WIAHIILKINTTOD-HNNXBMFYSA-N 0 3 286.419 3.990 20 30 CHEDHN CCC[C@@H](C)N(C)Cc1ccc(C#N)cc1Cl ZINC000162869120 261296742 /nfs/dbraw/zinc/29/67/42/261296742.db2.gz DTZLJWRTOUBPJX-LLVKDONJSA-N 0 3 250.773 3.832 20 30 CHEDHN COCc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1F ZINC000181777446 261910413 /nfs/dbraw/zinc/91/04/13/261910413.db2.gz ZKYJMCKXEJFQJL-ZDUSSCGKSA-N 0 3 298.361 3.695 20 30 CHEDHN CC(C)=CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000191630826 262193798 /nfs/dbraw/zinc/19/37/98/262193798.db2.gz CFWAZRPFFBEGTQ-UHFFFAOYSA-N 0 3 294.402 3.520 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2N2CCCCC2)C1 ZINC000193272069 262219801 /nfs/dbraw/zinc/21/98/01/262219801.db2.gz OARKOXLYNCDRNP-AEFFLSMTSA-N 0 3 297.446 3.849 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCCc3sccc32)C1 ZINC000193295646 262220052 /nfs/dbraw/zinc/22/00/52/262220052.db2.gz HIZNBTUJCKCVQQ-OBJOEFQTSA-N 0 3 260.406 3.797 20 30 CHEDHN Cc1oc2ccccc2c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000193296709 262220352 /nfs/dbraw/zinc/22/03/52/262220352.db2.gz BCBLOIPNZSWADB-UONOGXRCSA-N 0 3 268.360 3.913 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000186716735 262320614 /nfs/dbraw/zinc/32/06/14/262320614.db2.gz CAAUBBYWCJJHIF-KOLCDFICSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CCCOCCN[C@@H]1C[C@@H](C)Sc2sccc21 ZINC000336788163 262395228 /nfs/dbraw/zinc/39/52/28/262395228.db2.gz OIONLBSQKNPCCB-DGCLKSJQSA-N 0 3 283.462 3.856 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](C)c1ncc(Br)cc1F ZINC000187345517 262399624 /nfs/dbraw/zinc/39/96/24/262399624.db2.gz VYNGVCGHLPJEFC-BDAKNGLRSA-N 0 3 287.176 3.598 20 30 CHEDHN C[C@H](CCC#N)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000411753093 262706183 /nfs/dbraw/zinc/70/61/83/262706183.db2.gz FEVKJAGKBOEBNK-TZMCWYRMSA-N 0 3 262.784 3.822 20 30 CHEDHN C[C@@H](CCC#N)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000411807384 262707081 /nfs/dbraw/zinc/70/70/81/262707081.db2.gz KJXZIPWLVWUGCR-ZDUSSCGKSA-N 0 3 292.373 3.912 20 30 CHEDHN CCOc1cccc([C@@H](C)NCCC(C)(C)C#N)c1 ZINC000271987956 263000869 /nfs/dbraw/zinc/00/08/69/263000869.db2.gz DDCAGIOBNDUDGL-CYBMUJFWSA-N 0 3 260.381 3.676 20 30 CHEDHN COc1ccc(C)cc1[C@H](C)NCCC(C)(C)C#N ZINC000272035713 263001330 /nfs/dbraw/zinc/00/13/30/263001330.db2.gz PZLMYUIFCCPPOM-ZDUSSCGKSA-N 0 3 260.381 3.594 20 30 CHEDHN COCCN(CCC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000272029321 263001493 /nfs/dbraw/zinc/00/14/93/263001493.db2.gz OTDDRIVTIJIDHT-OAHLLOKOSA-N 0 3 274.408 3.636 20 30 CHEDHN CC[C@@H](NCCC(C)(C)C#N)c1ccc(F)cc1F ZINC000272056820 263001709 /nfs/dbraw/zinc/00/17/09/263001709.db2.gz VSZUEGLTYGJCOY-CQSZACIVSA-N 0 3 266.335 3.945 20 30 CHEDHN N#CCCCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272833729 263009023 /nfs/dbraw/zinc/00/90/23/263009023.db2.gz LPPLMNVDCPIMCW-QGZVFWFLSA-N 0 3 299.805 3.912 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000274358487 263023242 /nfs/dbraw/zinc/02/32/42/263023242.db2.gz MNLXPZNZXYATCC-SMDDNHRTSA-N 0 3 284.325 3.918 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(OC(F)F)c1 ZINC000274604218 263027484 /nfs/dbraw/zinc/02/74/84/263027484.db2.gz IPMYRTQTAADYRU-LOWVWBTDSA-N 0 3 280.318 3.631 20 30 CHEDHN COc1cc(CN(C)[C@H](C)CCC#N)ccc1SC ZINC000276272219 263035643 /nfs/dbraw/zinc/03/56/43/263035643.db2.gz DCUHMLZKCOASFO-GFCCVEGCSA-N 0 3 278.421 3.541 20 30 CHEDHN C[C@@H](CCC#N)N(C)Cc1ccccc1C(F)(F)F ZINC000276290720 263035837 /nfs/dbraw/zinc/03/58/37/263035837.db2.gz HRDZCCZJXAXMIP-NSHDSACASA-N 0 3 270.298 3.829 20 30 CHEDHN Cc1ccc2[nH]c([C@@H]3CCCN([C@@H](C)CCC#N)C3)nc2c1 ZINC000276306128 263036163 /nfs/dbraw/zinc/03/61/63/263036163.db2.gz LDEPZMVMTUBMGQ-LSDHHAIUSA-N 0 3 296.418 3.743 20 30 CHEDHN Cc1ccc2nc([C@@H]3CCCN([C@@H](C)CCC#N)C3)[nH]c2c1 ZINC000276306128 263036164 /nfs/dbraw/zinc/03/61/64/263036164.db2.gz LDEPZMVMTUBMGQ-LSDHHAIUSA-N 0 3 296.418 3.743 20 30 CHEDHN CN(CCCCC(C)(C)C#N)Cc1nc2ccccc2o1 ZINC000277838365 263043865 /nfs/dbraw/zinc/04/38/65/263043865.db2.gz WTHUVYNOSOPQOM-UHFFFAOYSA-N 0 3 285.391 3.980 20 30 CHEDHN CCN(Cc1ccc(Cl)s1)[C@@H]1CC[C@H](C#N)C1 ZINC000278578710 263049065 /nfs/dbraw/zinc/04/90/65/263049065.db2.gz JWSWCJCPMQYSFN-WDEREUQCSA-N 0 3 268.813 3.916 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281182166 263066917 /nfs/dbraw/zinc/06/69/17/263066917.db2.gz HTXPGDQFRLSYHY-OAGGEKHMSA-N 0 3 271.408 3.698 20 30 CHEDHN CC(C)Oc1cccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1 ZINC000282026851 263073622 /nfs/dbraw/zinc/07/36/22/263073622.db2.gz SSKIQADHYBJAGU-DZKIICNBSA-N 0 3 272.392 3.817 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(N2CCCC2)c1 ZINC000282161467 263074706 /nfs/dbraw/zinc/07/47/06/263074706.db2.gz DJTBTPGMFXROLL-YQQAZPJKSA-N 0 3 283.419 3.630 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000282185529 263074868 /nfs/dbraw/zinc/07/48/68/263074868.db2.gz GAGDCAISCFQXEY-DMDPSCGWSA-N 0 3 298.308 3.928 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000282352812 263076147 /nfs/dbraw/zinc/07/61/47/263076147.db2.gz PKQMAUXZQOSQBI-GYSYKLTISA-N 0 3 293.208 3.792 20 30 CHEDHN CSc1ccccc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000282664880 263077957 /nfs/dbraw/zinc/07/79/57/263077957.db2.gz ITKNOARTNQZQOF-FRRDWIJNSA-N 0 3 260.406 3.751 20 30 CHEDHN CC(C)[C@H](NCCc1cccc(C#N)c1)c1ccc(F)cn1 ZINC000467440509 263125784 /nfs/dbraw/zinc/12/57/84/263125784.db2.gz UOXGZZMZQJRGQR-SFHVURJKSA-N 0 3 297.377 3.622 20 30 CHEDHN CN(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293347746 263139349 /nfs/dbraw/zinc/13/93/49/263139349.db2.gz DLVVMSIZGHISFB-BXUZGUMPSA-N 0 3 282.309 3.829 20 30 CHEDHN COc1ccc2cc(CN(C)[C@@H]3CC[C@@H](C#N)C3)ccc2c1 ZINC000293508091 263142265 /nfs/dbraw/zinc/14/22/65/263142265.db2.gz OCSGNQLYMMUIMQ-RDTXWAMCSA-N 0 3 294.398 3.972 20 30 CHEDHN CSc1ccccc1CN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000294076874 263155535 /nfs/dbraw/zinc/15/55/35/263155535.db2.gz KZZJCHTXVMUTKJ-TZMCWYRMSA-N 0 3 260.406 3.533 20 30 CHEDHN C[C@@H]1C[C@@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccc2O1 ZINC000295112481 263172644 /nfs/dbraw/zinc/17/26/44/263172644.db2.gz VHEDKFITJXIDOF-HLPPOEQASA-N 0 3 270.376 3.571 20 30 CHEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000298869931 263227350 /nfs/dbraw/zinc/22/73/50/263227350.db2.gz JMESKZBZKOUIIK-OLZOCXBDSA-N 0 3 290.382 3.957 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)NCc1nccn1CCc1ccccc1 ZINC000164267194 263270653 /nfs/dbraw/zinc/27/06/53/263270653.db2.gz HVXWPRLVNZBYNC-IAGOWNOFSA-N 0 3 297.446 3.816 20 30 CHEDHN C=CCCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342142319 263398718 /nfs/dbraw/zinc/39/87/18/263398718.db2.gz UONTVMJDZGMCQF-KRWDZBQOSA-N 0 3 257.377 3.533 20 30 CHEDHN C[C@H]1CCc2nc(CNCC(C)(C)CCC#N)sc2C1 ZINC000342294461 263413806 /nfs/dbraw/zinc/41/38/06/263413806.db2.gz PPXBDVFHTYLIOE-LBPRGKRZSA-N 0 3 291.464 3.687 20 30 CHEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@@H]1C ZINC000331203486 264160691 /nfs/dbraw/zinc/16/06/91/264160691.db2.gz RJNTYVNHDFIDKU-AHCXZYCDSA-N 0 3 298.430 3.700 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC000189514055 264303691 /nfs/dbraw/zinc/30/36/91/264303691.db2.gz VLXLRNNYHCYVEU-CVEARBPZSA-N 0 3 280.371 3.652 20 30 CHEDHN C=C(C)[C@H](NC[C@@H](OC)C1CC1)c1ccc(F)c(F)c1 ZINC000425436079 264319471 /nfs/dbraw/zinc/31/94/71/264319471.db2.gz VCBGRMRATQXCOB-CVEARBPZSA-N 0 3 281.346 3.597 20 30 CHEDHN C=CCCCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000130136268 264340642 /nfs/dbraw/zinc/34/06/42/264340642.db2.gz YZWMFVRNMXOADA-UHFFFAOYSA-N 0 3 274.408 3.530 20 30 CHEDHN Cc1c2ccccc2oc1CN[C@H]1CC[C@H](C#N)C1 ZINC000334503818 264352622 /nfs/dbraw/zinc/35/26/22/264352622.db2.gz AHTQZWFKJLIMSV-STQMWFEESA-N 0 3 254.333 3.523 20 30 CHEDHN C=CCSCCN[C@H]1CCSc2ccccc21 ZINC000180453969 264411522 /nfs/dbraw/zinc/41/15/22/264411522.db2.gz ITEFASUJSRPSKZ-ZDUSSCGKSA-N 0 3 265.447 3.732 20 30 CHEDHN C=CCCCNCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282109888 264496358 /nfs/dbraw/zinc/49/63/58/264496358.db2.gz TZYLIVXTJVFKCI-UHFFFAOYSA-N 0 3 297.424 3.546 20 30 CHEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCCC1 ZINC000424995179 265001152 /nfs/dbraw/zinc/00/11/52/265001152.db2.gz KCVCHSDXTKUQBN-YJBOKZPZSA-N 0 3 298.430 3.844 20 30 CHEDHN CCC[C@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000345754188 265096817 /nfs/dbraw/zinc/09/68/17/265096817.db2.gz CVMSPLMCAIGICI-GWCFXTLKSA-N 0 3 298.308 3.822 20 30 CHEDHN C=CCCC1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CC1 ZINC000356570205 266140017 /nfs/dbraw/zinc/14/00/17/266140017.db2.gz WGZZLKXVBRPCHX-UHFFFAOYSA-N 0 3 286.419 3.742 20 30 CHEDHN C[C@H]1CC[C@@]2(CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC000359306546 266563081 /nfs/dbraw/zinc/56/30/81/266563081.db2.gz XFHDKDDUPGTZDX-SUMWQHHRSA-N 0 3 272.367 3.709 20 30 CHEDHN N#CCCCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000368359463 267165760 /nfs/dbraw/zinc/16/57/60/267165760.db2.gz CWCPGWRYSRIWEV-CYBMUJFWSA-N 0 3 282.309 3.798 20 30 CHEDHN CC(C)(C#N)CCCN1CCO[C@H](C2CCCCC2)C1 ZINC000368827650 267207214 /nfs/dbraw/zinc/20/72/14/267207214.db2.gz YQTZHCLKMIDXEH-INIZCTEOSA-N 0 3 278.440 3.597 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000369911981 267276257 /nfs/dbraw/zinc/27/62/57/267276257.db2.gz YXSZWLZSUJBPSM-RLFYNMQTSA-N 0 3 283.419 3.700 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000119328320 267322521 /nfs/dbraw/zinc/32/25/21/267322521.db2.gz IDFXMHYJXUFRCE-VXGBXAGGSA-N 0 3 273.355 3.545 20 30 CHEDHN C[C@@H](CCc1ccc(F)cc1F)NCC1(C#N)CCC1 ZINC000418143093 267364754 /nfs/dbraw/zinc/36/47/54/267364754.db2.gz OSJHBJRDXVRJKU-LBPRGKRZSA-N 0 3 278.346 3.569 20 30 CHEDHN C[C@@H](Cc1coc2ccccc12)NCC1(C#N)CCC1 ZINC000418144995 267366331 /nfs/dbraw/zinc/36/63/31/267366331.db2.gz WGSVNPMHUIQHJC-ZDUSSCGKSA-N 0 3 268.360 3.647 20 30 CHEDHN CC(C)n1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418151144 267376211 /nfs/dbraw/zinc/37/62/11/267376211.db2.gz WSJMOMHUTRYSET-GOSISDBHSA-N 0 3 294.402 3.503 20 30 CHEDHN N#CCCCN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000376390120 267970063 /nfs/dbraw/zinc/97/00/63/267970063.db2.gz ZWFILXBBVCDSAH-UHFFFAOYSA-N 0 3 280.774 3.904 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCSc3ccccc32)C1 ZINC000185753878 327844314 /nfs/dbraw/zinc/84/43/14/327844314.db2.gz NACJMVGYJKKVHQ-GZBFAFLISA-N 0 3 272.417 3.895 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCCOc3ccccc32)C1 ZINC000185809470 327845682 /nfs/dbraw/zinc/84/56/82/327845682.db2.gz PUXSIKXMMQYGPA-OFQRWUPVSA-N 0 3 270.376 3.572 20 30 CHEDHN N#CCCC1CCN(CCOC2CCCCCC2)CC1 ZINC000563068723 327873586 /nfs/dbraw/zinc/87/35/86/327873586.db2.gz PLYWZBARCGNMQW-UHFFFAOYSA-N 0 3 278.440 3.742 20 30 CHEDHN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NCCC#N ZINC000411767857 328099391 /nfs/dbraw/zinc/09/93/91/328099391.db2.gz CMZMUVDCORVIAU-HNNXBMFYSA-N 0 3 264.800 3.800 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3cc(F)ccc31)CC2 ZINC000571368768 328117313 /nfs/dbraw/zinc/11/73/13/328117313.db2.gz VIPHHFVGEQCHIF-OALUTQOASA-N 0 3 292.357 3.962 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3cc(F)ccc31)CC2 ZINC000571368766 328117397 /nfs/dbraw/zinc/11/73/97/328117397.db2.gz VIPHHFVGEQCHIF-MOPGFXCFSA-N 0 3 292.357 3.962 20 30 CHEDHN COc1ccccc1[C@H](NCCCC#N)C1CCCC1 ZINC000273178052 328204395 /nfs/dbraw/zinc/20/43/95/328204395.db2.gz DLCVLZKKUMEKIU-QGZVFWFLSA-N 0 3 272.392 3.820 20 30 CHEDHN COc1ccc(C)cc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000274206252 328209445 /nfs/dbraw/zinc/20/94/45/328209445.db2.gz MFXKUYZINIEHNX-KKUMJFAQSA-N 0 3 272.392 3.737 20 30 CHEDHN Cc1cncc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000274676546 328212717 /nfs/dbraw/zinc/21/27/17/328212717.db2.gz ZDFFQNGALMTWOA-ZIAGYGMSSA-N 0 3 265.360 3.674 20 30 CHEDHN CN(Cc1cccc(OC(F)(F)F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000278623401 328228739 /nfs/dbraw/zinc/22/87/39/328228739.db2.gz NMVKVEGBKOYMQD-YPMHNXCESA-N 0 3 298.308 3.709 20 30 CHEDHN CSc1ccccc1[C@@H](C)NCCC(C)(C)C#N ZINC000282231064 328241719 /nfs/dbraw/zinc/24/17/19/328241719.db2.gz ZJLVNVGDHRRVOB-GFCCVEGCSA-N 0 3 262.422 3.999 20 30 CHEDHN CSc1ccccc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000282235933 328241886 /nfs/dbraw/zinc/24/18/86/328241886.db2.gz ITKNOARTNQZQOF-YNEHKIRRSA-N 0 3 260.406 3.751 20 30 CHEDHN C[C@@H]1C[C@H]1c1ccc(CNCC2CCC(C#N)CC2)o1 ZINC000282410539 328242292 /nfs/dbraw/zinc/24/22/92/328242292.db2.gz QFOWDRDXGSKLGS-UWLZSVRSSA-N 0 3 272.392 3.823 20 30 CHEDHN CSC[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000292426303 328270350 /nfs/dbraw/zinc/27/03/50/328270350.db2.gz NEAHUUMHRNKTJE-DZGCQCFKSA-N 0 3 274.433 3.694 20 30 CHEDHN C=CCCCCCN(C)Cc1cc(OC)cc(C)n1 ZINC000534545375 328306293 /nfs/dbraw/zinc/30/62/93/328306293.db2.gz VPUQZGREAHFBJE-UHFFFAOYSA-N 0 3 262.397 3.577 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)o2)[C@H]2CCCC[C@H]12 ZINC000535072793 328384390 /nfs/dbraw/zinc/38/43/90/328384390.db2.gz OVKVMZJSZVZDMH-WQVCFCJDSA-N 0 3 258.365 3.552 20 30 CHEDHN CC#CCN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000341607666 328413007 /nfs/dbraw/zinc/41/30/07/328413007.db2.gz WFUAAXLFAAGPJZ-LBPRGKRZSA-N 0 3 270.401 3.792 20 30 CHEDHN C=CCCOCCN[C@H](C)c1csc(Cl)c1 ZINC000191396356 328507871 /nfs/dbraw/zinc/50/78/71/328507871.db2.gz MZAQKUSATRMGEQ-SNVBAGLBSA-N 0 3 259.802 3.645 20 30 CHEDHN C#Cc1ccc(CN[C@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000292743807 328539286 /nfs/dbraw/zinc/53/92/86/328539286.db2.gz HROJWADSWKZWLM-FZKQIMNGSA-N 0 3 297.423 3.522 20 30 CHEDHN Cc1ccccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000037719030 326859369 /nfs/dbraw/zinc/85/93/69/326859369.db2.gz UPMOFGBLBZFUMY-HNNXBMFYSA-N 0 3 280.371 3.748 20 30 CHEDHN CC(C)N(Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047549096 326859526 /nfs/dbraw/zinc/85/95/26/326859526.db2.gz IAFKSEHXFDMABH-UHFFFAOYSA-N 0 3 289.382 3.841 20 30 CHEDHN CC(C)O[C@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C ZINC000556606019 326953293 /nfs/dbraw/zinc/95/32/93/326953293.db2.gz PUXCMHXVCGFJAB-SJORKVTESA-N 0 3 298.430 3.729 20 30 CHEDHN C=CCSCCNCc1cccc(C(F)(F)F)c1 ZINC000222062056 327018616 /nfs/dbraw/zinc/01/86/16/327018616.db2.gz NOMNNHDQCGUXAN-UHFFFAOYSA-N 0 3 275.339 3.714 20 30 CHEDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cn1 ZINC000516903585 327039404 /nfs/dbraw/zinc/03/94/04/327039404.db2.gz JIZOTAOQICYAFU-ZDUSSCGKSA-N 0 3 299.805 3.670 20 30 CHEDHN COc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000090339737 327094316 /nfs/dbraw/zinc/09/43/16/327094316.db2.gz PUXZUOUMTHLLAY-UONOGXRCSA-N 0 3 280.371 3.979 20 30 CHEDHN C[C@@H]([C@H](C)NCc1nc(C#N)cs1)C1CCCCC1 ZINC000558486142 327097743 /nfs/dbraw/zinc/09/77/43/327097743.db2.gz RRHIJZIDBHANCQ-RYUDHWBXSA-N 0 3 277.437 3.709 20 30 CHEDHN CCc1cccc(OCCN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000558734248 327118256 /nfs/dbraw/zinc/11/82/56/327118256.db2.gz JAZBVVXVEZTJBF-HNNXBMFYSA-N 0 3 294.398 3.850 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCCc3ccccc32)c1 ZINC000093492041 327123657 /nfs/dbraw/zinc/12/36/57/327123657.db2.gz JPVNIISHVPGEQB-INIZCTEOSA-N 0 3 268.385 3.787 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1CSC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000449252192 327142026 /nfs/dbraw/zinc/14/20/26/327142026.db2.gz UGDBCTFQQHFVLJ-VQISRLSMSA-N 0 3 283.387 3.923 20 30 CHEDHN C=CCCc1ccccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000410376734 327188649 /nfs/dbraw/zinc/18/86/49/327188649.db2.gz VXDODMOUPTTWKU-UHFFFAOYSA-N 0 3 298.430 3.618 20 30 CHEDHN C[C@H]1CCC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000042373859 327237334 /nfs/dbraw/zinc/23/73/34/327237334.db2.gz FEPVLBIXXYFELB-WFASDCNBSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1cc(C)c(CNCc2cc(C#N)cs2)c(C)c1 ZINC000177692835 327276969 /nfs/dbraw/zinc/27/69/69/327276969.db2.gz HXMWLYNOZAVNRG-UHFFFAOYSA-N 0 3 270.401 3.835 20 30 CHEDHN C=CCC[C@@H](NCCn1cnc2ccccc21)c1ccco1 ZINC000560527948 327318729 /nfs/dbraw/zinc/31/87/29/327318729.db2.gz GJXXRYOPQCTBEE-MRXNPFEDSA-N 0 3 295.386 3.926 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](CO)Cc1ccccc1)c1ccco1 ZINC000560527840 327318829 /nfs/dbraw/zinc/31/88/29/327318829.db2.gz FUVQYJMRSZUCAM-ZWKOTPCHSA-N 0 3 299.414 3.728 20 30 CHEDHN CC1(C)CC[C@H](CNC[C@@H](C#N)CCC#N)c2ccccc21 ZINC000560597562 327329986 /nfs/dbraw/zinc/32/99/86/327329986.db2.gz IHUUNSMGOSPIHK-HZPDHXFCSA-N 0 3 295.430 3.875 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NC/C=C/c1ccccc1)CC2 ZINC000564497211 327336735 /nfs/dbraw/zinc/33/67/35/327336735.db2.gz NPPATYMSBAZAMJ-ZLHKHBAESA-N 0 3 274.367 3.849 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1cc(Br)cs1 ZINC000226397163 327416808 /nfs/dbraw/zinc/41/68/08/327416808.db2.gz NVZAZFLRHVQOGA-HTQZYQBOSA-N 0 3 260.200 3.736 20 30 CHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2n[nH]cc2c1 ZINC000507272325 332801659 /nfs/dbraw/zinc/80/16/59/332801659.db2.gz LCKNYBPVJLKCSZ-STQMWFEESA-N 0 3 290.370 3.846 20 30 CHEDHN C=CC[C@@H](CC)N[C@H](C)c1nc2ccccc2n1C ZINC000281543369 327605828 /nfs/dbraw/zinc/60/58/28/327605828.db2.gz ITLXEAPPWSAKED-CHWSQXEVSA-N 0 3 257.381 3.579 20 30 CHEDHN N#CCCC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000570678974 327610234 /nfs/dbraw/zinc/61/02/34/327610234.db2.gz KLDNIXPTOHVVFA-UHFFFAOYSA-N 0 3 268.360 3.949 20 30 CHEDHN C=CCCCCNCc1ccc(OC)c(OC)c1Cl ZINC000389195397 328662878 /nfs/dbraw/zinc/66/28/78/328662878.db2.gz PTLJZEFGJWZJCJ-UHFFFAOYSA-N 0 3 283.799 3.803 20 30 CHEDHN CCN(C[C@@H]1CCCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760507 329061788 /nfs/dbraw/zinc/06/17/88/329061788.db2.gz JDNMMSQBBVHWRL-YOEHRIQHSA-N 0 3 272.392 3.510 20 30 CHEDHN C[C@H](NCc1cccc(OCCCC#N)c1)c1cccnc1 ZINC000171246191 329073375 /nfs/dbraw/zinc/07/33/75/329073375.db2.gz PGPJMVNNQKVQJO-HNNXBMFYSA-N 0 3 295.386 3.615 20 30 CHEDHN N#CCCC1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000582544052 329104625 /nfs/dbraw/zinc/10/46/25/329104625.db2.gz OXZWPCAHWUHPGB-UHFFFAOYSA-N 0 3 284.403 3.665 20 30 CHEDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2CCCC#N)o1 ZINC000174446870 329158800 /nfs/dbraw/zinc/15/88/00/329158800.db2.gz WVXKTSKEPNRWHB-ZFWWWQNUSA-N 0 3 260.381 3.919 20 30 CHEDHN CCc1ccc([C@@H]2C[C@H](C)CCN2CCCC#N)o1 ZINC000174446846 329158807 /nfs/dbraw/zinc/15/88/07/329158807.db2.gz WVXKTSKEPNRWHB-HIFRSBDPSA-N 0 3 260.381 3.919 20 30 CHEDHN C=C(C)CCc1noc(-c2cccc(CN3CCCC3)c2)n1 ZINC000508625035 332844760 /nfs/dbraw/zinc/84/47/60/332844760.db2.gz IPZVBPDCYNRVDI-UHFFFAOYSA-N 0 3 297.402 3.841 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000542692493 329176741 /nfs/dbraw/zinc/17/67/41/329176741.db2.gz SZEBCTSFTMXVEY-PVAVHDDUSA-N 0 3 256.393 3.852 20 30 CHEDHN C#CCCCCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000179740681 329211634 /nfs/dbraw/zinc/21/16/34/329211634.db2.gz SGSOJFLDVQMSLV-UHFFFAOYSA-N 0 3 298.430 3.805 20 30 CHEDHN C=CCSCCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000180459775 329217682 /nfs/dbraw/zinc/21/76/82/329217682.db2.gz ASVQASICHDJLLR-HNNXBMFYSA-N 0 3 289.444 3.942 20 30 CHEDHN C=C(C)COc1cccc(NCc2cnccc2N(C)C)c1 ZINC000185218386 329268812 /nfs/dbraw/zinc/26/88/12/329268812.db2.gz KHDDYHFJSZTQNE-UHFFFAOYSA-N 0 3 297.402 3.715 20 30 CHEDHN CN(CC1(C#N)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459696199 329363494 /nfs/dbraw/zinc/36/34/94/329363494.db2.gz JVOKQBFHSMMTLQ-HZPDHXFCSA-N 0 3 254.377 3.558 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(-c3ccccn3)c2)C1 ZINC000193039059 329438527 /nfs/dbraw/zinc/43/85/27/329438527.db2.gz PHJFILSHGPHFST-CRAIPNDOSA-N 0 3 291.398 3.921 20 30 CHEDHN C[C@H](N[C@H]1CC12CCCC2)c1ccc(C#N)cc1F ZINC000429425469 329720563 /nfs/dbraw/zinc/72/05/63/329720563.db2.gz FCDGMMXHBRRJKB-NHYWBVRUSA-N 0 3 258.340 3.681 20 30 CHEDHN N#Cc1ccc(CNCc2ccc3c(c2)CCCC3)s1 ZINC000421352433 329815494 /nfs/dbraw/zinc/81/54/94/329815494.db2.gz QSPYOHOHOLCWPB-UHFFFAOYSA-N 0 3 282.412 3.788 20 30 CHEDHN N#Cc1ccc(CNCCOC2CCCCCC2)cc1F ZINC000421363914 329823243 /nfs/dbraw/zinc/82/32/43/329823243.db2.gz MXKZFCJBDCEYAB-UHFFFAOYSA-N 0 3 290.382 3.526 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)[C@@H]2CCCO2)C1 ZINC000248874743 329901502 /nfs/dbraw/zinc/90/15/02/329901502.db2.gz JANFNAXRCOYAKZ-UBDQQSCGSA-N 0 3 284.403 3.579 20 30 CHEDHN N#CCCC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000571996508 329935709 /nfs/dbraw/zinc/93/57/09/329935709.db2.gz DQJCWHATEOEJFB-UHFFFAOYSA-N 0 3 295.386 3.857 20 30 CHEDHN C=CCC[C@H](CC)NCc1csc([C@@H](C)OC)n1 ZINC000268894718 330066806 /nfs/dbraw/zinc/06/68/06/330066806.db2.gz AMPHMGFLMLDLEE-NEPJUHHUSA-N 0 3 268.426 3.685 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCc1csc([C@H](C)OC)n1 ZINC000269049244 330067385 /nfs/dbraw/zinc/06/73/85/330067385.db2.gz IBRVYCUHWCUSGB-SRVKXCTJSA-N 0 3 268.426 3.541 20 30 CHEDHN C#CC[C@@H](NCc1cccc(COC)c1)c1ccccc1 ZINC000270140179 330073317 /nfs/dbraw/zinc/07/33/17/330073317.db2.gz AUMRQENKLZHNQA-LJQANCHMSA-N 0 3 279.383 3.687 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(Cl)cc1OC ZINC000421853101 330088376 /nfs/dbraw/zinc/08/83/76/330088376.db2.gz IMQKTVXIMIXHGL-DFBGVHRSSA-N 0 3 295.810 3.733 20 30 CHEDHN C=CCN1CCC(N[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000273370541 330090633 /nfs/dbraw/zinc/09/06/33/330090633.db2.gz VRPGSRVJBVPHSG-OAHLLOKOSA-N 0 3 298.352 3.530 20 30 CHEDHN C[C@@H](NCC(C)(C)CCC#N)c1ccncc1Cl ZINC000421863398 330098566 /nfs/dbraw/zinc/09/85/66/330098566.db2.gz YORHXHMVBMBHGQ-LLVKDONJSA-N 0 3 265.788 3.716 20 30 CHEDHN C=C(C)CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000274757040 330107461 /nfs/dbraw/zinc/10/74/61/330107461.db2.gz JFRMJVAFZLIHRH-UHFFFAOYSA-N 0 3 257.377 3.548 20 30 CHEDHN C=CCC[C@H](NC[C@@](C)(O)c1cccs1)c1ccco1 ZINC000276391736 330112998 /nfs/dbraw/zinc/11/29/98/330112998.db2.gz BUAFUIXCWUQIPY-XJKSGUPXSA-N 0 3 291.416 3.846 20 30 CHEDHN C=C(C)COc1cc(CNC2CC(F)(F)C2)ccc1OC ZINC000277386379 330115926 /nfs/dbraw/zinc/11/59/26/330115926.db2.gz CWSBQJNZIAYNFS-UHFFFAOYSA-N 0 3 297.345 3.537 20 30 CHEDHN C=CCCN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278769204 330122655 /nfs/dbraw/zinc/12/26/55/330122655.db2.gz NBUQYZQFJUIKSR-UHFFFAOYSA-N 0 3 299.336 3.565 20 30 CHEDHN C[C@@H](c1ccc2c(c1)CCC2)N1CCC(C)(C#N)CC1 ZINC000445408495 330132620 /nfs/dbraw/zinc/13/26/20/330132620.db2.gz GWVCKHURJGEYKV-AWEZNQCLSA-N 0 3 268.404 3.862 20 30 CHEDHN CC[C@H](NCc1cc(C)cc(N)c1)c1ccc(C#N)cc1 ZINC000423488805 330207201 /nfs/dbraw/zinc/20/72/01/330207201.db2.gz ZFJRCSKWQXUGEJ-SFHVURJKSA-N 0 3 279.387 3.690 20 30 CHEDHN CC(C)C[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000396778139 330225981 /nfs/dbraw/zinc/22/59/81/330225981.db2.gz KNAOSXMNQAETCV-HNNXBMFYSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H](C#N)CN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000527235486 330239892 /nfs/dbraw/zinc/23/98/92/330239892.db2.gz SPIWEBRISOEBPD-UTUOFQBUSA-N 0 3 250.773 3.581 20 30 CHEDHN C=C(C)COCCN[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000536843674 330246047 /nfs/dbraw/zinc/24/60/47/330246047.db2.gz FLHQCXQDHUZJOJ-GDBMZVCRSA-N 0 3 259.393 3.726 20 30 CHEDHN C=C(C)COCCN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000536846605 330248681 /nfs/dbraw/zinc/24/86/81/330248681.db2.gz QSKDNIKXBQAWLK-MRXNPFEDSA-N 0 3 279.811 3.900 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2c(F)ccc(F)c2Cl)C1 ZINC000527711472 330275882 /nfs/dbraw/zinc/27/58/82/330275882.db2.gz FJDJLQDKJFHBAS-UWVGGRQHSA-N 0 3 284.737 3.790 20 30 CHEDHN CC[C@@H](NCc1cccnc1C)c1ccc(C#N)cc1 ZINC000527988485 330299078 /nfs/dbraw/zinc/29/90/78/330299078.db2.gz SUFMLKUIHARVSQ-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(Cl)c1Cl ZINC000424176435 330316576 /nfs/dbraw/zinc/31/65/76/330316576.db2.gz RJJVXBADAAFZCL-WPRPVWTQSA-N 0 3 292.231 3.736 20 30 CHEDHN C=CCCCCCN(C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000532968720 330323520 /nfs/dbraw/zinc/32/35/20/330323520.db2.gz MROQXWVPIXGOHN-MRXNPFEDSA-N 0 3 282.472 3.699 20 30 CHEDHN CC(C)(CCC#N)CN[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424200706 330326635 /nfs/dbraw/zinc/32/66/35/330326635.db2.gz RDVCKLNKRISHAB-GDBMZVCRSA-N 0 3 260.356 3.543 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000424204983 330327605 /nfs/dbraw/zinc/32/76/05/330327605.db2.gz VXTMWTOGNKFPMK-GXSJLCMTSA-N 0 3 286.272 3.626 20 30 CHEDHN COc1ccc([C@@H](C)NCCCCC#N)c(Cl)c1 ZINC000424273632 330333336 /nfs/dbraw/zinc/33/33/36/330333336.db2.gz UCHHAVIFERGRCL-LLVKDONJSA-N 0 3 266.772 3.693 20 30 CHEDHN C=CCCN[C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000533091754 330334372 /nfs/dbraw/zinc/33/43/72/330334372.db2.gz IQOFLRHFRXSPPQ-IBGZPJMESA-N 0 3 297.398 3.959 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCCC2 ZINC000424316696 330339601 /nfs/dbraw/zinc/33/96/01/330339601.db2.gz BCRLIZVCVIXACX-QWQRMKEZSA-N 0 3 268.404 3.908 20 30 CHEDHN C[C@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccsc2S1 ZINC000424318188 330339811 /nfs/dbraw/zinc/33/98/11/330339811.db2.gz CQHNVCFJFQMIAR-MEWQQHAOSA-N 0 3 278.446 3.955 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1nccc2ccccc21 ZINC000424321157 330340192 /nfs/dbraw/zinc/34/01/92/330340192.db2.gz GUARZRAPYMGRPW-VNHYZAJKSA-N 0 3 265.360 3.578 20 30 CHEDHN C=CCC[C@H](CCC)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000424327896 330341721 /nfs/dbraw/zinc/34/17/21/330341721.db2.gz NEOGNFODLMTGHE-NEPJUHHUSA-N 0 3 296.436 3.715 20 30 CHEDHN COCCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000424331352 330342316 /nfs/dbraw/zinc/34/23/16/330342316.db2.gz SALIHSBZYBLYKI-IAOVAPTHSA-N 0 3 290.382 3.575 20 30 CHEDHN CCCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424336660 330343377 /nfs/dbraw/zinc/34/33/77/330343377.db2.gz YCFQQZFBSCQOEN-OFQRWUPVSA-N 0 3 272.392 3.818 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2cccnc21 ZINC000046529109 330353509 /nfs/dbraw/zinc/35/35/09/330353509.db2.gz GGPOGTNHZPTHKA-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN C=CCCCCCN(C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000533288775 330356069 /nfs/dbraw/zinc/35/60/69/330356069.db2.gz ZWTXJUAQYJPXRN-MRXNPFEDSA-N 0 3 288.435 3.716 20 30 CHEDHN Cc1cccc([C@@H](C)CNCc2ccc(C#N)cc2F)c1 ZINC000533309737 330356969 /nfs/dbraw/zinc/35/69/69/330356969.db2.gz NQOHNJHXNVPZBZ-AWEZNQCLSA-N 0 3 282.362 3.899 20 30 CHEDHN C[C@H]1CCC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000533322770 330357466 /nfs/dbraw/zinc/35/74/66/330357466.db2.gz HQBATLHIHRXORG-WMLDXEAASA-N 0 3 259.368 3.688 20 30 CHEDHN C=C(C)CN(CC)Cc1cccc(SC(=O)N(C)C)c1 ZINC000084068359 330360344 /nfs/dbraw/zinc/36/03/44/330360344.db2.gz UHCSWZNMHMCIIT-UHFFFAOYSA-N 0 3 292.448 3.858 20 30 CHEDHN CCc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000057381986 330374666 /nfs/dbraw/zinc/37/46/66/330374666.db2.gz PHKYARTWXLHZJA-UHFFFAOYSA-N 0 3 264.372 3.753 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Br)cc1 ZINC000088249759 330375064 /nfs/dbraw/zinc/37/50/64/330375064.db2.gz MELIFJKADXODDP-LLVKDONJSA-N 0 3 293.208 3.794 20 30 CHEDHN C=C(C)COCCN[C@@H](CC)c1cc(F)ccc1F ZINC000090450950 330392585 /nfs/dbraw/zinc/39/25/85/330392585.db2.gz DGSUMSDBIIJQDJ-HNNXBMFYSA-N 0 3 269.335 3.598 20 30 CHEDHN N#CCC1(CNCc2ccccc2OC2CCCC2)CC1 ZINC000430070372 330558415 /nfs/dbraw/zinc/55/84/15/330558415.db2.gz KIPUADWIZWBHJU-UHFFFAOYSA-N 0 3 284.403 3.791 20 30 CHEDHN Cc1cccc2c1[C@@H](C)C[C@@H]2NCC1(CC#N)CC1 ZINC000430736288 330571999 /nfs/dbraw/zinc/57/19/99/330571999.db2.gz CRHOIXZEEIDSAC-ZFWWWQNUSA-N 0 3 254.377 3.827 20 30 CHEDHN CC(C)[C@@H](NCC1(CC#N)CC1)c1ccc(F)c(F)c1 ZINC000430738269 330572001 /nfs/dbraw/zinc/57/20/01/330572001.db2.gz AMKVAGBQCVOFDZ-OAHLLOKOSA-N 0 3 278.346 3.945 20 30 CHEDHN C[C@@H](NC[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000430749890 330572908 /nfs/dbraw/zinc/57/29/08/330572908.db2.gz LVVAECSDVSOSAG-PWSUYJOCSA-N 0 3 282.309 3.783 20 30 CHEDHN N#CCSCCCN1CCC(F)(c2ccccc2)CC1 ZINC000434493125 330640021 /nfs/dbraw/zinc/64/00/21/330640021.db2.gz KWEZMJRYNBOARA-UHFFFAOYSA-N 0 3 292.423 3.594 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)s1 ZINC000438479146 330725996 /nfs/dbraw/zinc/72/59/96/330725996.db2.gz YLOBNIRRQDIQCO-NSHDSACASA-N 0 3 276.327 3.686 20 30 CHEDHN N#C[C@H]1CC[C@H](NCCOc2cccc3ccccc32)C1 ZINC000442787552 330783470 /nfs/dbraw/zinc/78/34/70/330783470.db2.gz WYOJNRBOBNESBT-HOCLYGCPSA-N 0 3 280.371 3.500 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(-c3ccncc3)cc2)C1 ZINC000442790136 330783693 /nfs/dbraw/zinc/78/36/93/330783693.db2.gz ZLAQBRINLGJEFX-QAPCUYQASA-N 0 3 277.371 3.530 20 30 CHEDHN CO[C@H](c1ccccc1Cl)[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000442870931 330789109 /nfs/dbraw/zinc/78/91/09/330789109.db2.gz LBHQVYLKOICXIB-VLXAULBPSA-N 0 3 292.810 3.698 20 30 CHEDHN Cc1cccc(OC[C@H](C)NCc2ccc(C#N)c(C)c2)c1 ZINC000443987307 330808558 /nfs/dbraw/zinc/80/85/58/330808558.db2.gz XITSWGXOHBUERI-INIZCTEOSA-N 0 3 294.398 3.732 20 30 CHEDHN Cc1cc(CNCc2ccc(OC(C)C)cc2)ccc1C#N ZINC000443987962 330808613 /nfs/dbraw/zinc/80/86/13/330808613.db2.gz NSLFWGLDFTWELV-UHFFFAOYSA-N 0 3 294.398 3.944 20 30 CHEDHN CC(C)[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1nc2ccccc2[nH]1 ZINC000446822256 330855126 /nfs/dbraw/zinc/85/51/26/330855126.db2.gz VOZBNDDBULOZJD-KEYYUXOJSA-N 0 3 296.418 3.932 20 30 CHEDHN Cc1[nH]c2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cc2c1C ZINC000447533385 330868394 /nfs/dbraw/zinc/86/83/94/330868394.db2.gz RCKQKOWMSPRKMX-ZBFHGGJFSA-N 0 3 281.403 3.957 20 30 CHEDHN CC[C@@H](NCCC(F)(F)F)c1ccc(C#N)cc1 ZINC000447587859 330871930 /nfs/dbraw/zinc/87/19/30/330871930.db2.gz SEERMKWESRSZSS-GFCCVEGCSA-N 0 3 256.271 3.551 20 30 CHEDHN CCCCCn1cc(CN[C@@H]2CCC[C@H](C#N)C2)c(C)n1 ZINC000447589313 330872085 /nfs/dbraw/zinc/87/20/85/330872085.db2.gz XMORZFFEJIGKQV-DOTOQJQBSA-N 0 3 288.439 3.554 20 30 CHEDHN CC[C@H](N[C@H](C)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000447600332 330872452 /nfs/dbraw/zinc/87/24/52/330872452.db2.gz LXHPPSBZUXOOAJ-MFKMUULPSA-N 0 3 270.298 3.940 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1cn2ccsc2n1 ZINC000449103756 330899218 /nfs/dbraw/zinc/89/92/18/330899218.db2.gz RWULWNCBXDTUST-GFCCVEGCSA-N 0 3 263.410 3.620 20 30 CHEDHN CCC1(NCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000449416478 330923986 /nfs/dbraw/zinc/92/39/86/330923986.db2.gz UFJFJSUMCKZEDP-UHFFFAOYSA-N 0 3 268.282 3.609 20 30 CHEDHN C=C(C)CCNCc1ccccc1OCC(F)(F)F ZINC000449473282 330928576 /nfs/dbraw/zinc/92/85/76/330928576.db2.gz HLNWRAIEYCJLHF-UHFFFAOYSA-N 0 3 273.298 3.684 20 30 CHEDHN CC1(C2(NCc3ccc(C#N)cc3C(F)(F)F)CC2)CC1 ZINC000449671689 330943082 /nfs/dbraw/zinc/94/30/82/330943082.db2.gz SYMRJBVXCOYQJQ-UHFFFAOYSA-N 0 3 294.320 3.999 20 30 CHEDHN Cc1cccc(CN[C@@H](CCCC#N)c2ccccc2)n1 ZINC000451066456 331014577 /nfs/dbraw/zinc/01/45/77/331014577.db2.gz UTAGQHGZYIRSCY-SFHVURJKSA-N 0 3 279.387 3.915 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@]2(CCSC2)C1 ZINC000451962039 331048476 /nfs/dbraw/zinc/04/84/76/331048476.db2.gz FHMGGRGEUYVRPK-RHSMWYFYSA-N 0 3 286.444 3.838 20 30 CHEDHN CCO[C@@H]1CCCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000452038803 331051551 /nfs/dbraw/zinc/05/15/51/331051551.db2.gz YKWZUGFTAOIHSQ-IAGOWNOFSA-N 0 3 291.822 3.629 20 30 CHEDHN C[C@@H](CCCc1cccnc1)NCc1cc(C#N)ccc1F ZINC000453144160 331093828 /nfs/dbraw/zinc/09/38/28/331093828.db2.gz FRCJJMJFVDXVNY-AWEZNQCLSA-N 0 3 297.377 3.593 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](CCC)OC)c1ccco1 ZINC000453260454 331108583 /nfs/dbraw/zinc/10/85/83/331108583.db2.gz YDUWDWYETNQZIW-ZIAGYGMSSA-N 0 3 251.370 3.692 20 30 CHEDHN C=C(C)CCN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000453325175 331116980 /nfs/dbraw/zinc/11/69/80/331116980.db2.gz UDGNDGHQIOAHIW-GFCCVEGCSA-N 0 3 290.798 3.538 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1C[C@H](C)Sc2sccc21 ZINC000453349480 331120317 /nfs/dbraw/zinc/12/03/17/331120317.db2.gz LLKOVSQEFCLEOL-GHYVTOPFSA-N 0 3 295.473 3.997 20 30 CHEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1OCC ZINC000453352030 331120850 /nfs/dbraw/zinc/12/08/50/331120850.db2.gz KORUPTFSLYECIE-OCCSQVGLSA-N 0 3 297.826 3.716 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1C[C@H](C)Sc2sccc21 ZINC000453354303 331121342 /nfs/dbraw/zinc/12/13/42/331121342.db2.gz KUUBJBHEINJCPB-RYDUCSDGSA-N 0 3 281.446 3.607 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(Cl)ccc1OC ZINC000453354245 331121408 /nfs/dbraw/zinc/12/14/08/331121408.db2.gz NFAIPRXDSJMZJI-DFBGVHRSSA-N 0 3 295.810 3.733 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000453366421 331123333 /nfs/dbraw/zinc/12/33/33/331123333.db2.gz RAISZNSAQQNTON-YUELXQCFSA-N 0 3 271.360 3.735 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CC(C)(C)Cc2occc21 ZINC000453371347 331124035 /nfs/dbraw/zinc/12/40/35/331124035.db2.gz VTKRTEWTZDZXPA-KFWWJZLASA-N 0 3 275.392 3.616 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000453375305 331124810 /nfs/dbraw/zinc/12/48/10/331124810.db2.gz WLDYAMQEAMBFJQ-ZFWWWQNUSA-N 0 3 273.376 3.719 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](CC)c1ccccc1OC(F)F ZINC000453377546 331125214 /nfs/dbraw/zinc/12/52/14/331125214.db2.gz XXAHWTCBQGOHAN-OCCSQVGLSA-N 0 3 299.361 3.656 20 30 CHEDHN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000453377600 331125243 /nfs/dbraw/zinc/12/52/43/331125243.db2.gz IYBIZDOCIDEQCJ-ZMZPIMSZSA-N 0 3 298.336 3.860 20 30 CHEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(C)ccc1OC(F)F ZINC000453380969 331125656 /nfs/dbraw/zinc/12/56/56/331125656.db2.gz ZZQNLAFEZRCTLD-OLZOCXBDSA-N 0 3 299.361 3.574 20 30 CHEDHN C=CCC1(CN[C@@H](c2nccn2C)C2CC2)CCCC1 ZINC000453392168 331127497 /nfs/dbraw/zinc/12/74/97/331127497.db2.gz ZINUKBGGTSKWSF-OAHLLOKOSA-N 0 3 273.424 3.597 20 30 CHEDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453417042 331130369 /nfs/dbraw/zinc/13/03/69/331130369.db2.gz UJJCYWLRZUFDQF-CSMYWGQOSA-N 0 3 290.382 3.696 20 30 CHEDHN CC(C#N)C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000457126872 331212707 /nfs/dbraw/zinc/21/27/07/331212707.db2.gz PYHIIIFCBHRWLV-ZLDLUXBVSA-N 0 3 290.794 3.642 20 30 CHEDHN C[C@@H]1CCCC[C@@]1(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000457311907 331218762 /nfs/dbraw/zinc/21/87/62/331218762.db2.gz ZEFOGUAFJZBROD-HHXXYDBFSA-N 0 3 298.430 3.844 20 30 CHEDHN C=CCN(C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459502334 331285139 /nfs/dbraw/zinc/28/51/39/331285139.db2.gz OWGGCLBAJZQRIW-UHFFFAOYSA-N 0 3 296.418 3.678 20 30 CHEDHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000459650323 331292233 /nfs/dbraw/zinc/29/22/33/331292233.db2.gz MFXKUYZINIEHNX-QLFBSQMISA-N 0 3 272.392 3.737 20 30 CHEDHN CN(Cc1ccc(C#N)o1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459688742 331294588 /nfs/dbraw/zinc/29/45/88/331294588.db2.gz YJMNBMGJWDHHPC-QZTJIDSGSA-N 0 3 280.371 3.919 20 30 CHEDHN CCCCOc1ccccc1CNCC(C)(C)CC#N ZINC000459730011 331296350 /nfs/dbraw/zinc/29/63/50/331296350.db2.gz LFLFESAFJCRKQX-UHFFFAOYSA-N 0 3 274.408 3.895 20 30 CHEDHN COCc1ccccc1/C=C(\C)CNCC(C)(C)CC#N ZINC000459731957 331296495 /nfs/dbraw/zinc/29/64/95/331296495.db2.gz NYLVBUHQLAKRSL-RVDMUPIBSA-N 0 3 286.419 3.766 20 30 CHEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@H]2CC)cc1Cl ZINC000459748873 331298185 /nfs/dbraw/zinc/29/81/85/331298185.db2.gz XPEURVGRRTXPQQ-CABCVRRESA-N 0 3 295.810 3.562 20 30 CHEDHN CC#CCCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000462318931 331319288 /nfs/dbraw/zinc/31/92/88/331319288.db2.gz ZJOFOZUDPGRZRY-UHFFFAOYSA-N 0 3 256.176 3.839 20 30 CHEDHN C=CCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464817611 331369547 /nfs/dbraw/zinc/36/95/47/331369547.db2.gz HGITVTYIEHAZFZ-IAGOWNOFSA-N 0 3 254.377 3.724 20 30 CHEDHN CCC[C@@]1(C)CCCN(Cc2ccccc2C#N)C1 ZINC000464843737 331370816 /nfs/dbraw/zinc/37/08/16/331370816.db2.gz YZVKWFVXPLKMLD-KRWDZBQOSA-N 0 3 256.393 3.960 20 30 CHEDHN C=CC[C@@H](CC)NCc1ccc(OC)cc1Cl ZINC000466400568 331395118 /nfs/dbraw/zinc/39/51/18/331395118.db2.gz VTMMKCBBKMQOKS-GFCCVEGCSA-N 0 3 253.773 3.793 20 30 CHEDHN CC(C)Oc1ccccc1CNCCc1cccc(C#N)c1 ZINC000466422712 331396447 /nfs/dbraw/zinc/39/64/47/331396447.db2.gz NTVOEJWSVAAWFJ-UHFFFAOYSA-N 0 3 294.398 3.678 20 30 CHEDHN C=CC[C@H](CC)N[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000467412912 331418215 /nfs/dbraw/zinc/41/82/15/331418215.db2.gz KRIJSMXDFGKPTN-ZBFHGGJFSA-N 0 3 298.434 3.889 20 30 CHEDHN C[C@H](CCSc1ccccc1)N1CCC(F)(C#N)CC1 ZINC000510969652 332922525 /nfs/dbraw/zinc/92/25/25/332922525.db2.gz QJZYFSAVVNQMIJ-CQSZACIVSA-N 0 3 292.423 3.885 20 30 CHEDHN C[C@@H](CSc1nc(-c2ccccc2)ccc1C#N)N(C)C ZINC000479101561 331720270 /nfs/dbraw/zinc/72/02/70/331720270.db2.gz IIURXAVVACSGAY-ZDUSSCGKSA-N 0 3 297.427 3.662 20 30 CHEDHN N#Cc1ccc(CNCCCCc2ccc(F)c(F)c2)o1 ZINC000479404022 331727402 /nfs/dbraw/zinc/72/74/02/331727402.db2.gz BELIOQWEHSVNIL-UHFFFAOYSA-N 0 3 290.313 3.542 20 30 CHEDHN CC#CCCN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511061461 332926103 /nfs/dbraw/zinc/92/61/03/332926103.db2.gz AYKHQERHEYKWAX-KRWDZBQOSA-N 0 3 277.358 3.962 20 30 CHEDHN C=C(C)[C@H](NC1CC(C)C1)c1ccc(F)c(F)c1 ZINC000480679041 331783730 /nfs/dbraw/zinc/78/37/30/331783730.db2.gz USQXJFUMSLVRKP-QHAMSDLMSA-N 0 3 251.320 3.970 20 30 CHEDHN C=C(C)[C@H](NCCC1CC1)c1ccc(F)c(F)c1 ZINC000481583120 331809539 /nfs/dbraw/zinc/80/95/39/331809539.db2.gz WMIPRFPVXIIAFV-HNNXBMFYSA-N 0 3 251.320 3.972 20 30 CHEDHN CC#CCCNCc1ccc(-c2cccc(F)c2F)o1 ZINC000483307649 331868411 /nfs/dbraw/zinc/86/84/11/331868411.db2.gz NEZWIFFXUUPBHH-UHFFFAOYSA-N 0 3 275.298 3.728 20 30 CHEDHN Cc1cc(CN2CC3(CCCC3)OC(C)(C)C2)ccc1C#N ZINC000489012242 332037579 /nfs/dbraw/zinc/03/75/79/332037579.db2.gz LCZITKGOZZYPAH-UHFFFAOYSA-N 0 3 298.430 3.790 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccccc1N(C)C ZINC000491399584 332204991 /nfs/dbraw/zinc/20/49/91/332204991.db2.gz XCLKBPWSUATBDQ-UHFFFAOYSA-N 0 3 284.403 3.576 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCC23CCC3)cc1 ZINC000502450095 332660408 /nfs/dbraw/zinc/66/04/08/332660408.db2.gz BAYMEKREULBUAL-OAHLLOKOSA-N 0 3 293.332 3.979 20 30 CHEDHN C=CCN(CC=C)Cc1cccc(-c2ccccn2)c1 ZINC000505853997 332755212 /nfs/dbraw/zinc/75/52/12/332755212.db2.gz YHUGDWIOSULKFR-UHFFFAOYSA-N 0 3 264.372 3.923 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000513472555 333021431 /nfs/dbraw/zinc/02/14/31/333021431.db2.gz HGLXCQAAKDBOER-QGZVFWFLSA-N 0 3 280.346 3.687 20 30 CHEDHN C=C(C)CNC1(c2cccc(Br)c2)CCC1 ZINC000309673989 333046890 /nfs/dbraw/zinc/04/68/90/333046890.db2.gz KYSSCDJCFLKAOX-UHFFFAOYSA-N 0 3 280.209 3.994 20 30 CHEDHN CC[C@@H](C)CN(C)Cc1ccc(Br)cc1C#N ZINC000310324250 333057282 /nfs/dbraw/zinc/05/72/82/333057282.db2.gz YHVKVYVFDGGAPH-LLVKDONJSA-N 0 3 295.224 3.799 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1F ZINC000088254972 333087570 /nfs/dbraw/zinc/08/75/70/333087570.db2.gz JBWMAKAWQHWTPR-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000185406186 333140135 /nfs/dbraw/zinc/14/01/35/333140135.db2.gz QOWRWVUTPYWNPG-DOTOQJQBSA-N 0 3 298.430 3.600 20 30 CHEDHN CCN(CCOc1ccc(C#N)cc1)Cc1ccc(C)cc1 ZINC000521860896 333194414 /nfs/dbraw/zinc/19/44/14/333194414.db2.gz XNEDEZQBEBRWCE-UHFFFAOYSA-N 0 3 294.398 3.768 20 30 CHEDHN CC(C)CC[C@@H]1CCC[C@H]1NC[C@H](C#N)CCC#N ZINC000191877474 333226753 /nfs/dbraw/zinc/22/67/53/333226753.db2.gz TTXJMFFZCNYEJV-HRCADAONSA-N 0 3 261.413 3.624 20 30 CHEDHN N#Cc1ccc(CNCCc2ccc(Cl)s2)c(F)c1 ZINC000227596258 333286531 /nfs/dbraw/zinc/28/65/31/333286531.db2.gz CBCWXIZVBXLFRE-UHFFFAOYSA-N 0 3 294.782 3.745 20 30 CHEDHN CC1(C#N)CCN(CCCCc2ccccc2)CC1 ZINC000229591274 333306563 /nfs/dbraw/zinc/30/65/63/333306563.db2.gz YPJRMAFQCXEOLP-UHFFFAOYSA-N 0 3 256.393 3.635 20 30 CHEDHN COc1cc(CN[C@@H](C)c2ccc(F)cc2)ccc1C#N ZINC000234938287 333363300 /nfs/dbraw/zinc/36/33/00/333363300.db2.gz RHSHSYHFMOAPPF-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000235360265 333368445 /nfs/dbraw/zinc/36/84/45/333368445.db2.gz SGVOBUZEZHKZJY-JHJVBQTASA-N 0 3 260.356 3.564 20 30 CHEDHN C[C@H](Cc1ccc(Br)cc1)NCC(C)(C)C#N ZINC000235483106 333369976 /nfs/dbraw/zinc/36/99/76/333369976.db2.gz UQAYSIDKKFSRTG-LLVKDONJSA-N 0 3 295.224 3.519 20 30 CHEDHN CC(C)CN(CCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000524907142 333393384 /nfs/dbraw/zinc/39/33/84/333393384.db2.gz ZLDLSENJUWYJDE-UHFFFAOYSA-N 0 3 284.325 3.969 20 30 CHEDHN Cc1nc(C(C)C)ccc1CN1CCC(CC#N)CC1 ZINC000576012092 335141388 /nfs/dbraw/zinc/14/13/88/335141388.db2.gz UORXEZBMTVRFDO-UHFFFAOYSA-N 0 3 271.408 3.639 20 30 CHEDHN C[C@@H](NC[C@H](C)Oc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000174252079 335151317 /nfs/dbraw/zinc/15/13/17/335151317.db2.gz DVIABQPAQOAGDZ-UONOGXRCSA-N 0 3 298.361 3.815 20 30 CHEDHN C=C(C)COCCN[C@H]1CCc2c1cccc2Cl ZINC000540155535 333714606 /nfs/dbraw/zinc/71/46/06/333714606.db2.gz AUIVGHPEJABLQZ-HNNXBMFYSA-N 0 3 265.784 3.510 20 30 CHEDHN C=CC[C@H](C)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000540168984 333717206 /nfs/dbraw/zinc/71/72/06/333717206.db2.gz JBGHNDZUTAYNBV-FZMZJTMJSA-N 0 3 287.325 3.947 20 30 CHEDHN CCN(CCNCc1ccc(C#N)s1)c1cccc(C)c1 ZINC000540481741 333731369 /nfs/dbraw/zinc/73/13/69/333731369.db2.gz JTGITALLEUPUCA-UHFFFAOYSA-N 0 3 299.443 3.544 20 30 CHEDHN COc1ccc(C2(N[C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000540723536 333743854 /nfs/dbraw/zinc/74/38/54/333743854.db2.gz SEEVIPLKYFSWSZ-AWEZNQCLSA-N 0 3 292.382 3.907 20 30 CHEDHN CC1(C)Cc2cc(CN3CCC(CC#N)CC3)ccc2O1 ZINC000542848943 333845079 /nfs/dbraw/zinc/84/50/79/333845079.db2.gz AZMISHWTVRQUGY-UHFFFAOYSA-N 0 3 284.403 3.526 20 30 CHEDHN C[C@H](c1ccc(OC(F)F)cc1)N1CCC(CC#N)CC1 ZINC000543810507 333901184 /nfs/dbraw/zinc/90/11/84/333901184.db2.gz YMASMVSPMFZGTF-GFCCVEGCSA-N 0 3 294.345 3.975 20 30 CHEDHN C=CC[C@H](CC)NCc1csc(-c2ccccn2)n1 ZINC000341428132 335169218 /nfs/dbraw/zinc/16/92/18/335169218.db2.gz BRMNONYKBGHZQS-LBPRGKRZSA-N 0 3 273.405 3.649 20 30 CHEDHN CCCOC1(CNCc2cc(C#N)cs2)CCCCC1 ZINC000564318079 334081898 /nfs/dbraw/zinc/08/18/98/334081898.db2.gz WACCCGUXJHYBRX-UHFFFAOYSA-N 0 3 292.448 3.839 20 30 CHEDHN N#CC(C(=O)c1csc2ccccc12)c1ccccn1 ZINC000078732899 334139957 /nfs/dbraw/zinc/13/99/57/334139957.db2.gz XRGBAHBCUKLRSS-GFCCVEGCSA-N 0 3 278.336 3.786 20 30 CHEDHN C[C@H]1[C@@H](C(F)(F)F)CCCN1CCC(C)(C)C#N ZINC000548496965 334160491 /nfs/dbraw/zinc/16/04/91/334160491.db2.gz YYCAUKAVFXCMCN-QWRGUYRKSA-N 0 3 262.319 3.589 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000136959296 334166008 /nfs/dbraw/zinc/16/60/08/334166008.db2.gz BNCHJAROONREOX-BRWVUGGUSA-N 0 3 256.393 3.680 20 30 CHEDHN COC1(CCN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000549464354 334194795 /nfs/dbraw/zinc/19/47/95/334194795.db2.gz WYDFWGIGSQXVQU-MSOLQXFVSA-N 0 3 298.430 3.717 20 30 CHEDHN C=CCC[C@H](NCC1(O)CCCCCC1)c1ccco1 ZINC000552046331 334281127 /nfs/dbraw/zinc/28/11/27/334281127.db2.gz FBVHDLKSTLGGPG-HNNXBMFYSA-N 0 3 277.408 3.962 20 30 CHEDHN C=CCC[C@H](NC[C@H](C)N1CCC[C@H](C)C1)c1ccco1 ZINC000552224215 334305304 /nfs/dbraw/zinc/30/53/04/334305304.db2.gz OBZBRNVVIPIJBG-ULQDDVLXSA-N 0 3 290.451 3.997 20 30 CHEDHN C=CCC[C@@H](NCCN1CCC[C@H](C)C1)c1ccco1 ZINC000552254627 334309378 /nfs/dbraw/zinc/30/93/78/334309378.db2.gz NYOLELHYHALUAQ-JKSUJKDBSA-N 0 3 276.424 3.608 20 30 CHEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1F ZINC000248906158 334321604 /nfs/dbraw/zinc/32/16/04/334321604.db2.gz UVRWYOKYAXENCF-QJPTWQEYSA-N 0 3 264.319 3.698 20 30 CHEDHN COc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000248933942 334322241 /nfs/dbraw/zinc/32/22/41/334322241.db2.gz YCOYCKLNEFUTAF-OUCADQQQSA-N 0 3 276.355 3.567 20 30 CHEDHN C[C@H](CC#N)N(C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249775435 334340429 /nfs/dbraw/zinc/34/04/29/334340429.db2.gz KGLCGJMICRGHQZ-PVAVHDDUSA-N 0 3 256.393 3.731 20 30 CHEDHN C[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2F)C[C@H]1C ZINC000251744071 334368471 /nfs/dbraw/zinc/36/84/71/334368471.db2.gz JLMFNJXNQAOTFT-LALPHHSUSA-N 0 3 260.356 3.612 20 30 CHEDHN C=CCCCCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000565344658 334554066 /nfs/dbraw/zinc/55/40/66/334554066.db2.gz FKWIUFSKOOSOQN-UHFFFAOYSA-N 0 3 299.418 3.735 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000567588275 334737734 /nfs/dbraw/zinc/73/77/34/334737734.db2.gz RSUATKWGYPRUSN-SFHVURJKSA-N 0 3 292.382 3.756 20 30 CHEDHN C=CCCC[C@H](C)NCc1cc(OC)c(OC)cc1F ZINC000568030126 334785836 /nfs/dbraw/zinc/78/58/36/334785836.db2.gz JMYMKNKZAGDWCM-LBPRGKRZSA-N 0 3 281.371 3.677 20 30 CHEDHN Cc1c([C@H](C)NCc2ccc(CC#N)cc2)cnn1C(C)C ZINC000576345921 335192420 /nfs/dbraw/zinc/19/24/20/335192420.db2.gz VRJSMUHCMAAVTP-AWEZNQCLSA-N 0 3 296.418 3.689 20 30 CHEDHN CC(C)(NCc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000175989557 335226470 /nfs/dbraw/zinc/22/64/70/335226470.db2.gz PMYNJJQYERFFIO-UHFFFAOYSA-N 0 3 286.325 3.861 20 30 CHEDHN CCc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000577308995 335337726 /nfs/dbraw/zinc/33/77/26/335337726.db2.gz PARICQNTSVBESQ-IBGZPJMESA-N 0 3 276.383 3.898 20 30 CHEDHN COc1ccc([C@@H](NCc2cc(C#N)cs2)C2CC2)cc1 ZINC000177682562 335378437 /nfs/dbraw/zinc/37/84/37/335378437.db2.gz YEWWDBCNFMLFJC-KRWDZBQOSA-N 0 3 298.411 3.869 20 30 CHEDHN CCC[C@@H](NCc1nc(C#N)cs1)C1CCCCC1 ZINC000577921667 335420923 /nfs/dbraw/zinc/42/09/23/335420923.db2.gz OZSMLAXMGXVMPB-CQSZACIVSA-N 0 3 277.437 3.853 20 30 CHEDHN C=CC[C@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180178999 335557575 /nfs/dbraw/zinc/55/75/75/335557575.db2.gz VWJMDKXBRSPVEL-WDEREUQCSA-N 0 3 277.799 3.842 20 30 CHEDHN C=CCSCCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000180458600 335585440 /nfs/dbraw/zinc/58/54/40/335585440.db2.gz FKPJDSRNBKPZON-VIFPVBQESA-N 0 3 275.339 3.674 20 30 CHEDHN CC[C@@H](CC#N)NCCCc1ccccc1Br ZINC000578450814 335636213 /nfs/dbraw/zinc/63/62/13/335636213.db2.gz MHBWKWDPOQMZGV-ZDUSSCGKSA-N 0 3 295.224 3.664 20 30 CHEDHN COc1cccc2c1CCC[C@@H]2NCc1cccc(C#N)c1 ZINC000194845889 336039438 /nfs/dbraw/zinc/03/94/38/336039438.db2.gz ATFGJRIJJYJKNJ-SFHVURJKSA-N 0 3 292.382 3.734 20 30 CHEDHN CCC(CC)(CNCc1nc(C#N)cs1)c1ccccc1 ZINC000581339669 336052737 /nfs/dbraw/zinc/05/27/37/336052737.db2.gz IQWCJTUWKVWCGF-UHFFFAOYSA-N 0 3 299.443 3.862 20 30 CHEDHN CC(C)[C@@H](C)N(C)Cc1ccc(Br)cc1C#N ZINC000383347255 336107350 /nfs/dbraw/zinc/10/73/50/336107350.db2.gz NBCLHTYDAVXRSC-LLVKDONJSA-N 0 3 295.224 3.797 20 30 CHEDHN C=CCCCCNCc1c(Cl)cccc1OC ZINC000383393156 336108271 /nfs/dbraw/zinc/10/82/71/336108271.db2.gz LGHPJDYPAWSGKW-UHFFFAOYSA-N 0 3 253.773 3.795 20 30 CHEDHN C=CC(C)(C)CNCc1cccc(OC)c1OC(F)F ZINC000384839620 336132528 /nfs/dbraw/zinc/13/25/28/336132528.db2.gz IBPBGQWPXKBWJL-UHFFFAOYSA-N 0 3 285.334 3.598 20 30 CHEDHN Cc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccc1Br ZINC000349856263 533723298 /nfs/dbraw/zinc/72/32/98/533723298.db2.gz ZXRPLGLVBPIXIE-DGCLKSJQSA-N 0 3 293.208 3.539 20 30 CHEDHN C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(C#N)cc2)C1 ZINC000336520886 534005087 /nfs/dbraw/zinc/00/50/87/534005087.db2.gz KQOVVBFLCGBSJU-RDTXWAMCSA-N 0 3 277.371 3.536 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000336029336 534283287 /nfs/dbraw/zinc/28/32/87/534283287.db2.gz MGCYLQQDHYUWAZ-MNOVXSKESA-N 0 3 286.762 3.830 20 30 CHEDHN C=CCCCN[C@@H](C)c1cc(Br)ncc1F ZINC000279835125 518703064 /nfs/dbraw/zinc/70/30/64/518703064.db2.gz CKGGCPFBJQXJRO-VIFPVBQESA-N 0 3 287.176 3.600 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@H](NCc2cccc(C#N)c2)CS1 ZINC000277271316 518950061 /nfs/dbraw/zinc/95/00/61/518950061.db2.gz PTHOFAWHXZLSQI-GJZGRUSLSA-N 0 3 274.433 3.568 20 30 CHEDHN CC(C)COc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000069784915 519763111 /nfs/dbraw/zinc/76/31/11/519763111.db2.gz ZRPMBGILZAHJBO-UHFFFAOYSA-N 0 3 294.398 3.883 20 30 CHEDHN N#CCCCNCc1ccc(-c2ccccc2)s1 ZINC000344328325 534612816 /nfs/dbraw/zinc/61/28/16/534612816.db2.gz LJWTWCOOCBJIPW-UHFFFAOYSA-N 0 3 256.374 3.808 20 30 CHEDHN CC[C@H](NCc1ccccc1N(C)C)c1ccc(C#N)cc1 ZINC000278879812 522655324 /nfs/dbraw/zinc/65/53/24/522655324.db2.gz XWGRIFZFTHUBJA-SFHVURJKSA-N 0 3 293.414 3.865 20 30 CHEDHN CC[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(C#N)cc1 ZINC000278358935 522724231 /nfs/dbraw/zinc/72/42/31/522724231.db2.gz BHNHSVPQDCCLRH-ZWKOTPCHSA-N 0 3 292.382 3.992 20 30 CHEDHN CC[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000278771128 522942244 /nfs/dbraw/zinc/94/22/44/522942244.db2.gz PFMFVPCUXCOUIH-RTBURBONSA-N 0 3 294.398 3.723 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1F ZINC000055386687 524131062 /nfs/dbraw/zinc/13/10/62/524131062.db2.gz OIRYOENQDIIZPV-WBMJQRKESA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1csc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000334890500 534819231 /nfs/dbraw/zinc/81/92/31/534819231.db2.gz OHTXHYIVYWBCNH-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1C ZINC000266202025 525321998 /nfs/dbraw/zinc/32/19/98/525321998.db2.gz LKRNMRMNEVSQMT-AWEZNQCLSA-N 0 3 280.371 3.732 20 30 CHEDHN C[C@H](NC[C@@H](c1cccs1)N(C)C)c1ccc(C#N)cc1 ZINC000020147601 525384810 /nfs/dbraw/zinc/38/48/10/525384810.db2.gz SFJIOCMBNZHZDE-BBRMVZONSA-N 0 3 299.443 3.573 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289690442 526044371 /nfs/dbraw/zinc/04/43/71/526044371.db2.gz VTVURTGQGPXIDK-ZTFGCOKTSA-N 0 3 296.414 3.653 20 30 CHEDHN Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)cc1 ZINC000299306908 526158093 /nfs/dbraw/zinc/15/80/93/526158093.db2.gz CWNMPLQSTQRRBQ-GOSISDBHSA-N 0 3 262.356 3.644 20 30 CHEDHN Cc1cncc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000274676542 526219155 /nfs/dbraw/zinc/21/91/55/526219155.db2.gz ZDFFQNGALMTWOA-KGLIPLIRSA-N 0 3 265.360 3.674 20 30 CHEDHN C=CCN(CCOC)Cc1ccc(C2CCC2)cc1 ZINC000353198801 526299914 /nfs/dbraw/zinc/29/99/14/526299914.db2.gz IAGUHEHNOHOMKY-UHFFFAOYSA-N 0 3 259.393 3.589 20 30 CHEDHN C=CCN(CC[C@@H]1CCCCO1)Cc1ccccc1 ZINC000347389466 526307827 /nfs/dbraw/zinc/30/78/27/526307827.db2.gz FWYBVMNPEKVSOZ-KRWDZBQOSA-N 0 3 259.393 3.634 20 30 CHEDHN C=C(C)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352819217 526626078 /nfs/dbraw/zinc/62/60/78/526626078.db2.gz WFTKMESUHRNGFE-ZDUSSCGKSA-N 0 3 274.191 3.583 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2c2ccccc2)o1 ZINC000266203597 526626605 /nfs/dbraw/zinc/62/66/05/526626605.db2.gz MBUSWQZGLVUUBM-IRXDYDNUSA-N 0 3 266.344 3.577 20 30 CHEDHN N#Cc1cccc(CN2CCC(c3ccc(O)cc3)CC2)c1 ZINC000055102882 526704188 /nfs/dbraw/zinc/70/41/88/526704188.db2.gz ZRTITQUFCMIOIC-UHFFFAOYSA-N 0 3 292.382 3.643 20 30 CHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccccc2)cc1 ZINC000113312735 526745099 /nfs/dbraw/zinc/74/50/99/526745099.db2.gz SGDNPOMDRFSPSR-MRXNPFEDSA-N 0 3 279.383 3.940 20 30 CHEDHN C=CCOCCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000347967525 526754303 /nfs/dbraw/zinc/75/43/03/526754303.db2.gz OYJMCWWHGMSYDI-INIZCTEOSA-N 0 3 263.356 3.555 20 30 CHEDHN C=C(C)[C@H](NC[C@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000479409953 526820887 /nfs/dbraw/zinc/82/08/87/526820887.db2.gz KUWNZDVHXHHFJY-WBMJQRKESA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCOc1cccc(CN2CCCC3(CC3)C2)c1 ZINC000351914885 526897245 /nfs/dbraw/zinc/89/72/45/526897245.db2.gz GKBPIDDLYBLFND-UHFFFAOYSA-N 0 3 257.377 3.627 20 30 CHEDHN C=CCOc1cccc(CN2CCS[C@H](C)[C@@H]2C)c1 ZINC000353841642 526899507 /nfs/dbraw/zinc/89/95/07/526899507.db2.gz FGJCYWXBZKFHRT-UONOGXRCSA-N 0 3 277.433 3.577 20 30 CHEDHN C=CCC[C@@H](NCC1([C@H](O)C(C)C)CC1)c1ccco1 ZINC000353614388 527447154 /nfs/dbraw/zinc/44/71/54/527447154.db2.gz SOVHXAHDEDOUFI-GDBMZVCRSA-N 0 3 277.408 3.674 20 30 CHEDHN C=CCC[C@@H](NCCC(=O)OC(C)(C)C)c1ccco1 ZINC000353519946 527447800 /nfs/dbraw/zinc/44/78/00/527447800.db2.gz NZPBRARYKFVGPX-CYBMUJFWSA-N 0 3 279.380 3.608 20 30 CHEDHN CCN(CCC#N)CC1CCC(C(F)(F)F)CC1 ZINC000344473200 528374179 /nfs/dbraw/zinc/37/41/79/528374179.db2.gz DBEPVBFLNAVGFF-UHFFFAOYSA-N 0 3 262.319 3.591 20 30 CHEDHN C=CCCC[C@@H](C)N[C@H]1CCCc2scnc21 ZINC000623928422 1117954873 /nfs/dbraw/zinc/95/48/73/1117954873.db2.gz PJDJAOGOFSFUPT-NEPJUHHUSA-N 0 3 250.411 3.855 20 30 CHEDHN Cc1nc(C(C)C)sc1[C@H](C)NCC1(CC#N)CC1 ZINC000430749918 1118766436 /nfs/dbraw/zinc/76/64/36/1118766436.db2.gz MAYIEJYVDVEUKB-NSHDSACASA-N 0 3 277.437 3.919 20 30 CHEDHN Cc1cccnc1[C@@H](NCc1cccc(C#N)c1)C(C)C ZINC000112637838 1125487433 /nfs/dbraw/zinc/48/74/33/1125487433.db2.gz GXYQPTHCBJRRDE-KRWDZBQOSA-N 0 3 279.387 3.749 20 30 CHEDHN N#CCCCCNCc1csc(-c2ccsc2)n1 ZINC000237818513 1121389870 /nfs/dbraw/zinc/38/98/70/1121389870.db2.gz UBDQVUPIOAVJKY-UHFFFAOYSA-N 0 3 277.418 3.655 20 30 CHEDHN CS[C@@H]1CC[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000425337959 1123122288 /nfs/dbraw/zinc/12/22/88/1123122288.db2.gz AOLMVJSHXDXYGZ-RBSFLKMASA-N 0 3 260.406 3.515 20 30 CHEDHN C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C ZINC000059422211 1123309027 /nfs/dbraw/zinc/30/90/27/1123309027.db2.gz QHXGWGWMKPXROT-VXGBXAGGSA-N 0 3 262.784 3.832 20 30 CHEDHN CCC(CC)(CNCc1ccc(C#N)o1)C(F)(F)F ZINC000865755996 1124011129 /nfs/dbraw/zinc/01/11/29/1124011129.db2.gz AFRFJANKGMJOJZ-UHFFFAOYSA-N 0 3 274.286 3.610 20 30 CHEDHN CCC[C@]1(C(=O)OCC)CCCN1CCCC(C)(C)C#N ZINC000444780559 1124059517 /nfs/dbraw/zinc/05/95/17/1124059517.db2.gz NETBQOXDJTYXRW-QGZVFWFLSA-N 0 3 294.439 3.514 20 30 CHEDHN COc1cccc(Cl)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000449444823 1124739257 /nfs/dbraw/zinc/73/92/57/1124739257.db2.gz DQFRQHIMBBIKMS-RYUDHWBXSA-N 0 3 278.783 3.521 20 30 CHEDHN C#C[C@@H](CC)NCc1ccc(-c2scnc2C)cc1 ZINC000825878464 1124947374 /nfs/dbraw/zinc/94/73/74/1124947374.db2.gz OHFXKHAUYOJPRX-HNNXBMFYSA-N 0 3 270.401 3.620 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@](C)(C(F)(F)F)C1 ZINC000880003525 1125244019 /nfs/dbraw/zinc/24/40/19/1125244019.db2.gz IKLXUJOCJCJHFL-RISCZKNCSA-N 0 3 282.309 3.894 20 30 CHEDHN CCC(CC)N(Cc1cc(F)ccc1C#N)C1CC1 ZINC000532345722 1125250345 /nfs/dbraw/zinc/25/03/45/1125250345.db2.gz RHVVYWTXTRVSRW-UHFFFAOYSA-N 0 3 260.356 3.850 20 30 CHEDHN C=CCN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000532625603 1125429654 /nfs/dbraw/zinc/42/96/54/1125429654.db2.gz KKKUFUKWDZINAE-LBPRGKRZSA-N 0 3 258.390 3.662 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)C[C@@H]2CC2(C)C)c1[O-] ZINC001138627988 1131528216 /nfs/dbraw/zinc/52/82/16/1131528216.db2.gz LCEZZVIOIWBKTK-HNNXBMFYSA-N 0 3 259.393 3.599 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1[O-] ZINC001138627988 1131528220 /nfs/dbraw/zinc/52/82/20/1131528220.db2.gz LCEZZVIOIWBKTK-HNNXBMFYSA-N 0 3 259.393 3.599 20 30 CHEDHN N#Cc1c(N)sc(CN2CCC[C@H]3CCC[C@H]32)c1Cl ZINC001141114053 1132021158 /nfs/dbraw/zinc/02/11/58/1132021158.db2.gz BYICMCJOYXSFGA-MWLCHTKSSA-N 0 3 295.839 3.620 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(O)cc(Br)c1 ZINC001232998766 1132560418 /nfs/dbraw/zinc/56/04/18/1132560418.db2.gz GZENJSCKSWOLOB-UHFFFAOYSA-N 0 3 284.197 3.553 20 30 CHEDHN C=CCCCN1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001209161727 1133981701 /nfs/dbraw/zinc/98/17/01/1133981701.db2.gz CCGTVIATRVKLLQ-QGZVFWFLSA-N 0 3 259.393 3.509 20 30 CHEDHN C=CCCCCCCCN1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2 ZINC001209443362 1134022644 /nfs/dbraw/zinc/02/26/44/1134022644.db2.gz RJIXNJGEEJNBEN-OWCLPIDISA-N 0 3 279.424 3.539 20 30 CHEDHN Cc1ccccc1OCCCNCc1ccc(C#N)cc1F ZINC000533446461 1125608809 /nfs/dbraw/zinc/60/88/09/1125608809.db2.gz DZEOTAOWZMNTER-UHFFFAOYSA-N 0 3 298.361 3.565 20 30 CHEDHN C#CCC1(NCc2cccc(Cl)c2Cl)CCOCC1 ZINC000886381522 1125675080 /nfs/dbraw/zinc/67/50/80/1125675080.db2.gz GRRIJDSRHDNCJM-UHFFFAOYSA-N 0 3 298.213 3.656 20 30 CHEDHN C#CCC1(NCc2ccc(Cl)cc2Cl)CCOCC1 ZINC000886381926 1125675482 /nfs/dbraw/zinc/67/54/82/1125675482.db2.gz YIHGNJWILFXVBJ-UHFFFAOYSA-N 0 3 298.213 3.656 20 30 CHEDHN CSc1ccc(CN[C@H](C)c2ccncc2)cc1C#N ZINC000886688311 1125709706 /nfs/dbraw/zinc/70/97/06/1125709706.db2.gz OLCYRHJCLRZAQW-GFCCVEGCSA-N 0 3 283.400 3.526 20 30 CHEDHN COCCCCN(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000092507056 1125758657 /nfs/dbraw/zinc/75/86/57/1125758657.db2.gz ROEGIZYOHQVGPS-UHFFFAOYSA-N 0 3 298.386 3.580 20 30 CHEDHN C[C@@H](NCc1ccc2cnccc2c1)c1cccc(C#N)c1 ZINC000618725776 1125765133 /nfs/dbraw/zinc/76/51/33/1125765133.db2.gz FKPFAUCHKZSNMF-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN CCN(CCc1cccs1)Cc1ccccc1C#N ZINC000508708114 1125777965 /nfs/dbraw/zinc/77/79/65/1125777965.db2.gz YXXUGDQFNHJMHM-UHFFFAOYSA-N 0 3 270.401 3.684 20 30 CHEDHN C=CCC[C@H](C)N[C@@H]1CCOc2cc(F)cc(F)c21 ZINC001258720882 1129550153 /nfs/dbraw/zinc/55/01/53/1129550153.db2.gz IEMOPYXWOBQQDB-GXFFZTMASA-N 0 3 267.319 3.733 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1cccc(C#N)c1 ZINC000135043709 1126708751 /nfs/dbraw/zinc/70/87/51/1126708751.db2.gz YYCVRKNYCUNRKF-SJKOYZFVSA-N 0 3 278.355 3.602 20 30 CHEDHN C[C@@H](N[C@H]1CCc2c1cccc2O)c1cccc(C#N)c1 ZINC000135043752 1126708924 /nfs/dbraw/zinc/70/89/24/1126708924.db2.gz YYCVRKNYCUNRKF-PXAZEXFGSA-N 0 3 278.355 3.602 20 30 CHEDHN CCC[C@H](CCc1ccccc1)N1CC[C@H](C#N)C1 ZINC001254497988 1130255526 /nfs/dbraw/zinc/25/55/26/1130255526.db2.gz GMNYUVYTASJHRE-IAGOWNOFSA-N 0 3 256.393 3.633 20 30 CHEDHN CC#CCCNCc1ccc(Oc2ccccc2)o1 ZINC000482158107 1126744135 /nfs/dbraw/zinc/74/41/35/1126744135.db2.gz RLJJOQMOWIVKNJ-UHFFFAOYSA-N 0 3 255.317 3.575 20 30 CHEDHN CCc1nc(C)c([C@H](C)NCc2cccc(C#N)c2)s1 ZINC000151369501 1126753309 /nfs/dbraw/zinc/75/33/09/1126753309.db2.gz KQZNBPGQZYLWMT-NSHDSACASA-N 0 3 285.416 3.736 20 30 CHEDHN N#Cc1ccc(CNCC2(Sc3ccccc3)CC2)o1 ZINC000174374685 1126768963 /nfs/dbraw/zinc/76/89/63/1126768963.db2.gz SVOVUBMVIRYSRZ-UHFFFAOYSA-N 0 3 284.384 3.566 20 30 CHEDHN CN(CCCC(C)(C)C#N)Cc1cnn(-c2ccccc2)c1 ZINC000174812394 1126773839 /nfs/dbraw/zinc/77/38/39/1126773839.db2.gz ATTJQZXVYXALPO-UHFFFAOYSA-N 0 3 296.418 3.634 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC(C)(C)C1 ZINC000483726199 1126799373 /nfs/dbraw/zinc/79/93/73/1126799373.db2.gz MGOJWVBOCQKQEE-LBPRGKRZSA-N 0 3 260.356 3.565 20 30 CHEDHN C=CCNCc1cc(-c2cn(C)nc2C(C)C)ccc1F ZINC000904759183 1126869212 /nfs/dbraw/zinc/86/92/12/1126869212.db2.gz JIBAYLNYDWWPNJ-UHFFFAOYSA-N 0 3 287.382 3.625 20 30 CHEDHN COc1ccc(O)c(CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000182655919 1126876018 /nfs/dbraw/zinc/87/60/18/1126876018.db2.gz CRUGYUQKDHNMDB-KRWDZBQOSA-N 0 3 296.370 3.535 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000185562729 1126900413 /nfs/dbraw/zinc/90/04/13/1126900413.db2.gz RBRKHCWNIQMBMY-CQSZACIVSA-N 0 3 274.408 3.597 20 30 CHEDHN C=CCC[C@H](NCc1ncc(-c2ccccc2)cn1)C1CC1 ZINC000186059622 1126905864 /nfs/dbraw/zinc/90/58/64/1126905864.db2.gz QIJOJEFBXHOFSO-SFHVURJKSA-N 0 3 293.414 3.978 20 30 CHEDHN CC(=NN[C@H](Cc1ccccc1)C(C)C)c1ccc(N)cc1 ZINC000777449491 1126929159 /nfs/dbraw/zinc/92/91/59/1126929159.db2.gz WGOLCNYOHAGAAJ-LJQANCHMSA-N 0 3 295.430 3.850 20 30 CHEDHN Cc1cc(C)c2c(c1)CN(Cc1ccc(C#N)cc1)CC2 ZINC000485726130 1126946198 /nfs/dbraw/zinc/94/61/98/1126946198.db2.gz GRXGJZMWHVMNMO-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN C[C@@H](NCc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000037211151 1126955259 /nfs/dbraw/zinc/95/52/59/1126955259.db2.gz CAIPRMXCQPDPHV-GFCCVEGCSA-N 0 3 254.308 3.548 20 30 CHEDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)CCC#N)c([O-])c1 ZINC000815627381 1131010508 /nfs/dbraw/zinc/01/05/08/1131010508.db2.gz ZQGADSTYCGDKFP-AWEZNQCLSA-N 0 3 274.408 3.990 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000349296373 1127146142 /nfs/dbraw/zinc/14/61/42/1127146142.db2.gz FMHMXJIUINVDAF-XUJVJEKNSA-N 0 3 290.794 3.836 20 30 CHEDHN C=C(C)COCCN[C@H](c1ccc(C)o1)C1CCC1 ZINC000349533853 1127153221 /nfs/dbraw/zinc/15/32/21/1127153221.db2.gz HELNVSAJLIIWKY-INIZCTEOSA-N 0 3 263.381 3.612 20 30 CHEDHN C=CCc1cc(C[N@H+](C)[C@@H](C)C2(C)CC2)c([O-])c(OC)c1 ZINC000164473791 1127167853 /nfs/dbraw/zinc/16/78/53/1127167853.db2.gz OJDKXCRKCNRDCN-ZDUSSCGKSA-N 0 3 289.419 3.750 20 30 CHEDHN C=CCc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c([O-])c(OC)c1 ZINC000164473791 1127167857 /nfs/dbraw/zinc/16/78/57/1127167857.db2.gz OJDKXCRKCNRDCN-ZDUSSCGKSA-N 0 3 289.419 3.750 20 30 CHEDHN Cc1nc([C@@H](C)NCC(C)(C)CCC#N)c(C)s1 ZINC000588231630 1127181786 /nfs/dbraw/zinc/18/17/86/1127181786.db2.gz ASBJEHLDASMNBJ-SNVBAGLBSA-N 0 3 265.426 3.741 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)Cc1ccccc1N(C)C ZINC000588978545 1127209271 /nfs/dbraw/zinc/20/92/71/1127209271.db2.gz OLYAJUUNMFEMEN-UHFFFAOYSA-N 0 3 293.414 3.565 20 30 CHEDHN CC(C)[C@@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237752998 1131139458 /nfs/dbraw/zinc/13/94/58/1131139458.db2.gz HMHJSAYRMRBKTN-HNNXBMFYSA-N 0 3 262.784 3.832 20 30 CHEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(C)c1O ZINC000589176608 1127213752 /nfs/dbraw/zinc/21/37/52/1127213752.db2.gz FSPYGHCSEIQISF-GOSISDBHSA-N 0 3 292.382 3.658 20 30 CHEDHN C=CCC[C@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000285394088 1127225361 /nfs/dbraw/zinc/22/53/61/1127225361.db2.gz WWBJBOSQDSUJHQ-CJNGLKHVSA-N 0 3 255.365 3.768 20 30 CHEDHN C=CCC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000285394092 1127225045 /nfs/dbraw/zinc/22/50/45/1127225045.db2.gz WWBJBOSQDSUJHQ-XJKSGUPXSA-N 0 3 255.365 3.768 20 30 CHEDHN CCc1ccc([C@H]2CCN(Cc3ccnc(C#N)c3)C2)cc1 ZINC000590119707 1127248579 /nfs/dbraw/zinc/24/85/79/1127248579.db2.gz MEDOMQTXPDUKCE-SFHVURJKSA-N 0 3 291.398 3.505 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccco1 ZINC000286048629 1127256140 /nfs/dbraw/zinc/25/61/40/1127256140.db2.gz KYLJIXXGEXMFKY-JKSUJKDBSA-N 0 3 289.350 3.749 20 30 CHEDHN CCCn1cc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353915236 1127278091 /nfs/dbraw/zinc/27/80/91/1127278091.db2.gz MKNZGVFRXHPKTD-GOSISDBHSA-N 0 3 296.418 3.818 20 30 CHEDHN C#CCCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000760816732 1127293469 /nfs/dbraw/zinc/29/34/69/1127293469.db2.gz IPPMKLIUHGBKOY-GFCCVEGCSA-N 0 3 265.759 3.509 20 30 CHEDHN CO[C@H](CN[C@H](CCC#N)c1ccccc1)CC(C)C ZINC000591375698 1127299916 /nfs/dbraw/zinc/29/99/16/1127299916.db2.gz UBLJTCDXTGYMFS-DLBZAZTESA-N 0 3 274.408 3.682 20 30 CHEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000679359068 1127307068 /nfs/dbraw/zinc/30/70/68/1127307068.db2.gz KIDKPKGACYHGLP-UHFFFAOYSA-N 0 3 295.386 3.841 20 30 CHEDHN C#CCCN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000760845703 1127311211 /nfs/dbraw/zinc/31/12/11/1127311211.db2.gz YXPNWNQEIDTHCQ-UHFFFAOYSA-N 0 3 263.331 3.733 20 30 CHEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C1(CC)CC ZINC000355138087 1127320904 /nfs/dbraw/zinc/32/09/04/1127320904.db2.gz SBLHLKQFUMAROR-HOTGVXAUSA-N 0 3 290.407 3.567 20 30 CHEDHN N#Cc1ccc(C2=CCN(Cc3cccs3)CC2)cc1 ZINC000355358866 1127335885 /nfs/dbraw/zinc/33/58/85/1127335885.db2.gz ZNTHBWDNWCOLCM-UHFFFAOYSA-N 0 3 280.396 3.909 20 30 CHEDHN CC1(C)CCC[C@@H]1[C@H]1CCN(C[C@H](C#N)CCC#N)C1 ZINC000592154707 1127337700 /nfs/dbraw/zinc/33/77/00/1127337700.db2.gz TUMGTNTZTJVIMF-HRCADAONSA-N 0 3 273.424 3.578 20 30 CHEDHN N#Cc1cnccc1CN[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000592126289 1127337002 /nfs/dbraw/zinc/33/70/02/1127337002.db2.gz MABFRITXMCHJLG-FZMZJTMJSA-N 0 3 297.324 3.554 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccncc1C#N ZINC000592127253 1127337372 /nfs/dbraw/zinc/33/73/72/1127337372.db2.gz YKAIQWBFLBPDEN-SPYBWZPUSA-N 0 3 291.398 3.720 20 30 CHEDHN Cc1ccccc1C1(NCc2ccc(C#N)c(C)c2)CC1 ZINC000592139825 1127338775 /nfs/dbraw/zinc/33/87/75/1127338775.db2.gz JALYMHKJUAKMKW-UHFFFAOYSA-N 0 3 276.383 3.954 20 30 CHEDHN CC[C@H](C)C[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877067717 1127343608 /nfs/dbraw/zinc/34/36/08/1127343608.db2.gz LQFOXTFHTYOMPV-WDEREUQCSA-N 0 3 265.788 3.521 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593040616 1127368751 /nfs/dbraw/zinc/36/87/51/1127368751.db2.gz KWEWGOUNDNFVOG-KRWDZBQOSA-N 0 3 274.383 3.729 20 30 CHEDHN N#CCCCCN1CCc2oc(-c3ccccc3)cc2C1 ZINC000593051832 1127369807 /nfs/dbraw/zinc/36/98/07/1127369807.db2.gz ONZQIDPBKZCILT-UHFFFAOYSA-N 0 3 280.371 3.999 20 30 CHEDHN Cc1ccccc1C[C@H](C)NCC1(C#N)CCCC1 ZINC000593653582 1127393137 /nfs/dbraw/zinc/39/31/37/1127393137.db2.gz QPEHHXPHVQIPOI-HNNXBMFYSA-N 0 3 256.393 3.600 20 30 CHEDHN C[C@@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000594519694 1127421023 /nfs/dbraw/zinc/42/10/23/1127421023.db2.gz SSCIBOZNRVBICK-MRVWCRGKSA-N 0 3 290.382 3.694 20 30 CHEDHN C=CCCSCCN[C@H](C)c1ccccc1F ZINC000594709290 1127428983 /nfs/dbraw/zinc/42/89/83/1127428983.db2.gz FLPSDDCNOUFBFU-GFCCVEGCSA-N 0 3 253.386 3.786 20 30 CHEDHN N#CC1(c2ccc(CNCc3ccc(F)cc3)cc2)CC1 ZINC000594929767 1127436001 /nfs/dbraw/zinc/43/60/01/1127436001.db2.gz YKKAGRZUPXVFLC-UHFFFAOYSA-N 0 3 280.346 3.671 20 30 CHEDHN COc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594929743 1127436446 /nfs/dbraw/zinc/43/64/46/1127436446.db2.gz XJRPNSUJDWWKDE-UHFFFAOYSA-N 0 3 292.382 3.540 20 30 CHEDHN COc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1C ZINC000595106338 1127453014 /nfs/dbraw/zinc/45/30/14/1127453014.db2.gz SMJAULOJQMSUMV-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN COC[C@@H](CC(C)(C)C)NCC1(C#N)CCCCC1 ZINC000595090586 1127454059 /nfs/dbraw/zinc/45/40/59/1127454059.db2.gz IIXUBZMRERTXHL-CQSZACIVSA-N 0 3 266.429 3.501 20 30 CHEDHN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000595087833 1127454316 /nfs/dbraw/zinc/45/43/16/1127454316.db2.gz FGFBMUPXDRNXOA-XIKOKIGWSA-N 0 3 278.355 3.602 20 30 CHEDHN CC[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000595092450 1127455026 /nfs/dbraw/zinc/45/50/26/1127455026.db2.gz VUVHJAHMVIBGBV-MOPGFXCFSA-N 0 3 292.382 3.992 20 30 CHEDHN C[C@H](CC#N)N(C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595342864 1127458690 /nfs/dbraw/zinc/45/86/90/1127458690.db2.gz ARQHGNCNEMGUFY-BFYDXBDKSA-N 0 3 256.393 3.804 20 30 CHEDHN CO[C@@H](CN[C@@H](CCC#N)c1ccccc1)C1CCCC1 ZINC000595422424 1127462294 /nfs/dbraw/zinc/46/22/94/1127462294.db2.gz XSTRZCUIWKDWSB-ROUUACIJSA-N 0 3 286.419 3.826 20 30 CHEDHN C#CCOCCN(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000761112757 1127465452 /nfs/dbraw/zinc/46/54/52/1127465452.db2.gz BKFXMMVXMMSUNB-LLVKDONJSA-N 0 3 286.202 3.636 20 30 CHEDHN C[C@@H](NCCCCC(C)(C)C#N)c1cscn1 ZINC000595669656 1127471720 /nfs/dbraw/zinc/47/17/20/1127471720.db2.gz YKNZCWACTQCPFM-LLVKDONJSA-N 0 3 251.399 3.514 20 30 CHEDHN N#Cc1cccc(CN2CC3CC2(c2ccccc2)C3)c1 ZINC000595909831 1127479955 /nfs/dbraw/zinc/47/99/55/1127479955.db2.gz SQOQTUKYSRNLHY-UHFFFAOYSA-N 0 3 274.367 3.679 20 30 CHEDHN N#CC1(c2ccc(CN3CCc4ccsc4C3)cc2)CC1 ZINC000597007494 1127523611 /nfs/dbraw/zinc/52/36/11/1127523611.db2.gz CASPVEVWMZXFJT-UHFFFAOYSA-N 0 3 294.423 3.862 20 30 CHEDHN CC[C@@H]1COC(C)(C)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597157693 1127530814 /nfs/dbraw/zinc/53/08/14/1127530814.db2.gz IAKFJWMHNSKIBG-QGZVFWFLSA-N 0 3 298.430 3.631 20 30 CHEDHN CC1(C)CCc2cc(CN3CCC[C@H](CC#N)C3)ccc2O1 ZINC000597173947 1127531656 /nfs/dbraw/zinc/53/16/56/1127531656.db2.gz OGRCOPJSXOUKFE-OAHLLOKOSA-N 0 3 298.430 3.916 20 30 CHEDHN N#CC1(CNC[C@@H]2C[C@@H]2c2ccccc2)CCCCC1 ZINC000597225195 1127536813 /nfs/dbraw/zinc/53/68/13/1127536813.db2.gz OZGCRFCMGQKBDM-DLBZAZTESA-N 0 3 268.404 3.854 20 30 CHEDHN C[C@@H](C1CC1)N(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602434282 1127578668 /nfs/dbraw/zinc/57/86/68/1127578668.db2.gz PDWUHFQDUIZXJG-HNNXBMFYSA-N 0 3 291.398 3.754 20 30 CHEDHN C[C@@H](CCC#N)CN1CCc2cccc(F)c2[C@H]1C ZINC000602468188 1127582502 /nfs/dbraw/zinc/58/25/02/1127582502.db2.gz JXBZLUHKPGIDEI-QWHCGFSZSA-N 0 3 260.356 3.685 20 30 CHEDHN N#CC1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000602499577 1127586974 /nfs/dbraw/zinc/58/69/74/1127586974.db2.gz QGSXUWILIKHWLU-GXOAENINSA-N 0 3 291.398 3.843 20 30 CHEDHN CC(C)COC[C@@H](NC[C@H](C)CCC#N)c1ccco1 ZINC000602529311 1127591171 /nfs/dbraw/zinc/59/11/71/1127591171.db2.gz GAWHKVKTQNLNKS-HUUCEWRRSA-N 0 3 278.396 3.523 20 30 CHEDHN N#CCC1CCN(Cc2ccccc2CC(F)(F)F)CC1 ZINC000602596693 1127594884 /nfs/dbraw/zinc/59/48/84/1127594884.db2.gz MWDMQXWUMLQOGC-UHFFFAOYSA-N 0 3 296.336 3.917 20 30 CHEDHN C[C@@H](CCC#N)CN[C@@H](c1ccco1)c1ccccc1 ZINC000602593749 1127595258 /nfs/dbraw/zinc/59/52/58/1127595258.db2.gz OEEZSKCDCQFERJ-WMLDXEAASA-N 0 3 268.360 3.898 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)CC12CCC2 ZINC000361867060 1127595658 /nfs/dbraw/zinc/59/56/58/1127595658.db2.gz XZYGFRNMHSKASU-CYBMUJFWSA-N 0 3 272.367 3.709 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)CCc1c[nH]c2ccccc12 ZINC000602609261 1127598985 /nfs/dbraw/zinc/59/89/85/1127598985.db2.gz AOPWMYVMYHRXJF-UKRRQHHQSA-N 0 3 269.392 3.771 20 30 CHEDHN C[C@@H](CCC#N)CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000602704806 1127606852 /nfs/dbraw/zinc/60/68/52/1127606852.db2.gz JSBFVFLRVIASFJ-WNHJNPCNSA-N 0 3 298.430 3.921 20 30 CHEDHN C[C@@H](CCC#N)CN1CC(Cc2ccccc2Cl)C1 ZINC000602666151 1127603399 /nfs/dbraw/zinc/60/33/99/1127603399.db2.gz LTCITDOUVIWMAQ-ZDUSSCGKSA-N 0 3 276.811 3.754 20 30 CHEDHN N#Cc1csc(CN2CCC3(CCSCC3)CC2)c1 ZINC000602733919 1127610547 /nfs/dbraw/zinc/61/05/47/1127610547.db2.gz DCHVUXYDLJQNNO-UHFFFAOYSA-N 0 3 292.473 3.729 20 30 CHEDHN CC[C@H](c1ccccc1OC)N(C)CC1(CC#N)CC1 ZINC000602832569 1127616300 /nfs/dbraw/zinc/61/63/00/1127616300.db2.gz JPPIGTSAHKRGKY-OAHLLOKOSA-N 0 3 272.392 3.772 20 30 CHEDHN CN(Cc1ccc(C(F)(F)F)cc1)CC1(CC#N)CC1 ZINC000602755224 1127612766 /nfs/dbraw/zinc/61/27/66/1127612766.db2.gz BGXYMDOXQDZTGF-UHFFFAOYSA-N 0 3 282.309 3.831 20 30 CHEDHN C[C@H](CC#N)NCCCCc1cccc(Cl)c1 ZINC000602871260 1127618288 /nfs/dbraw/zinc/61/82/88/1127618288.db2.gz PIXSTZCGMIAQGN-GFCCVEGCSA-N 0 3 250.773 3.554 20 30 CHEDHN C[C@H]1CCN(CC2(CC#N)CC2)[C@@H](c2ccco2)C1 ZINC000602783636 1127613480 /nfs/dbraw/zinc/61/34/80/1127613480.db2.gz PRLJXJJNIJNCMG-UONOGXRCSA-N 0 3 258.365 3.746 20 30 CHEDHN CC(C)(C#N)CCN1CCC(Oc2ccccc2F)CC1 ZINC000602946606 1127622573 /nfs/dbraw/zinc/62/25/73/1127622573.db2.gz MVQLBNKQEBGLFZ-UHFFFAOYSA-N 0 3 290.382 3.609 20 30 CHEDHN C[C@H](c1ccccc1Cl)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598586084 1127626515 /nfs/dbraw/zinc/62/65/15/1127626515.db2.gz OFLDXKRPGMYCRL-CHWSQXEVSA-N 0 3 294.826 3.634 20 30 CHEDHN CCC[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)OCC ZINC000599059689 1127653847 /nfs/dbraw/zinc/65/38/47/1127653847.db2.gz JXWPGYPESXTTNE-GXTWGEPZSA-N 0 3 278.371 3.553 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599060790 1127654614 /nfs/dbraw/zinc/65/46/14/1127654614.db2.gz ZHVTUQBKYSGSML-FRRDWIJNSA-N 0 3 278.346 3.842 20 30 CHEDHN C=CCCCCCN(C)Cc1cnc2ccccc2n1 ZINC000659948186 1127676000 /nfs/dbraw/zinc/67/60/00/1127676000.db2.gz SVFDMANCLPODCM-UHFFFAOYSA-N 0 3 269.392 3.808 20 30 CHEDHN C[C@@H](CN(C)C[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000599632753 1127684324 /nfs/dbraw/zinc/68/43/24/1127684324.db2.gz CJQLCVCHROCXEB-LSDHHAIUSA-N 0 3 261.413 3.578 20 30 CHEDHN C=CCOc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297154167 1127689253 /nfs/dbraw/zinc/68/92/53/1127689253.db2.gz BBNTYYMWUVUHMJ-INIZCTEOSA-N 0 3 295.382 3.734 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000171733971 1127727027 /nfs/dbraw/zinc/72/70/27/1127727027.db2.gz DXHGPCLYVPXUGK-AWEZNQCLSA-N 0 3 298.361 3.887 20 30 CHEDHN CC[C@H](C)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000409445852 1127769922 /nfs/dbraw/zinc/76/99/22/1127769922.db2.gz CAECVTFUBCFEIP-XIRDDKMYSA-N 0 3 256.393 3.804 20 30 CHEDHN Cc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)c(C)n1 ZINC000594033222 1127773164 /nfs/dbraw/zinc/77/31/64/1127773164.db2.gz KTYYSTIHODYTOC-UHFFFAOYSA-N 0 3 291.398 3.739 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](OCC2CC2)C1 ZINC000372297994 1127794445 /nfs/dbraw/zinc/79/44/45/1127794445.db2.gz XBRLEYXONFVMRW-KDOFPFPSSA-N 0 3 284.403 3.510 20 30 CHEDHN CC#CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000607726146 1127824831 /nfs/dbraw/zinc/82/48/31/1127824831.db2.gz LOOPIUKRVBLFDR-LJQANCHMSA-N 0 3 261.368 3.657 20 30 CHEDHN CN(CCC1(C#N)CCCCC1)Cc1cccc(C#N)c1 ZINC000411133458 1127843011 /nfs/dbraw/zinc/84/30/11/1127843011.db2.gz MOGMKLZYRBCUJP-UHFFFAOYSA-N 0 3 281.403 3.854 20 30 CHEDHN C[C@H](CCC#N)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000411700662 1127870935 /nfs/dbraw/zinc/87/09/35/1127870935.db2.gz WVLYBNXJEWMYMW-NEPJUHHUSA-N 0 3 274.330 3.733 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000412018076 1127890325 /nfs/dbraw/zinc/89/03/25/1127890325.db2.gz ZIIBRBMTQPFIEC-NXHRZFHOSA-N 0 3 296.414 3.532 20 30 CHEDHN CC(C)(C)C1=CCN(Cc2ccc(C#N)cc2)CC1 ZINC000535406696 1127914958 /nfs/dbraw/zinc/91/49/58/1127914958.db2.gz FTEQFTGYNGWUPV-UHFFFAOYSA-N 0 3 254.377 3.736 20 30 CHEDHN N#CC1(CN(CCc2ccccc2)C2CCCC2)CC1 ZINC000539450103 1127923563 /nfs/dbraw/zinc/92/35/63/1127923563.db2.gz HTVLFIDXDAOAOZ-UHFFFAOYSA-N 0 3 268.404 3.777 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC(C)(C)C1 ZINC000544118369 1127959566 /nfs/dbraw/zinc/95/95/66/1127959566.db2.gz VNYBKOYCDRJIFQ-LBPRGKRZSA-N 0 3 260.356 3.565 20 30 CHEDHN Cc1cccc([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)c1 ZINC000544187261 1127962521 /nfs/dbraw/zinc/96/25/21/1127962521.db2.gz NGKOVYYJCMYOPM-QGZVFWFLSA-N 0 3 294.373 3.995 20 30 CHEDHN C=C(CC)CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000540205351 1127968870 /nfs/dbraw/zinc/96/88/70/1127968870.db2.gz ZXSLKOIIXDHVRT-OAHLLOKOSA-N 0 3 275.367 3.687 20 30 CHEDHN C=C(CC)CN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000540216079 1127969469 /nfs/dbraw/zinc/96/94/69/1127969469.db2.gz YUOAMLXKVUNGSU-CYBMUJFWSA-N 0 3 264.438 3.981 20 30 CHEDHN C=CCCC[C@@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540335761 1127974999 /nfs/dbraw/zinc/97/49/99/1127974999.db2.gz FVOMPOWDBZOUJI-CYBMUJFWSA-N 0 3 274.364 3.698 20 30 CHEDHN C=CCCC[C@@H](C)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000540346841 1127976004 /nfs/dbraw/zinc/97/60/04/1127976004.db2.gz SMPBQCNREYGEFD-MRXNPFEDSA-N 0 3 295.430 3.975 20 30 CHEDHN CCCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000540523908 1127983113 /nfs/dbraw/zinc/98/31/13/1127983113.db2.gz GHIYPKLNJBDUJP-UHFFFAOYSA-N 0 3 281.321 3.931 20 30 CHEDHN CCC[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000213404230 1127999422 /nfs/dbraw/zinc/99/94/22/1127999422.db2.gz OOSFBHBQXXQGKL-OAHLLOKOSA-N 0 3 260.356 3.852 20 30 CHEDHN C=CC(C)(C)CCNCc1ccn(-c2ccccc2)n1 ZINC000623592887 1128049474 /nfs/dbraw/zinc/04/94/74/1128049474.db2.gz HFNVOULUBFBFBL-UHFFFAOYSA-N 0 3 269.392 3.564 20 30 CHEDHN C[C@H]1CN(CCOc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000471022601 1128084940 /nfs/dbraw/zinc/08/49/40/1128084940.db2.gz ODUZWJOTYQPWKK-KXBFYZLASA-N 0 3 292.382 3.630 20 30 CHEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000924544940 1128103813 /nfs/dbraw/zinc/10/38/13/1128103813.db2.gz LJWYDYSKPXCZRH-WDEREUQCSA-N 0 3 266.335 3.944 20 30 CHEDHN COc1ccc(OC)c([C@@H](C)N[C@H](C)CC(C)(C)C#N)c1 ZINC000924572117 1128105540 /nfs/dbraw/zinc/10/55/40/1128105540.db2.gz QQYVKQMDUPLKMC-CHWSQXEVSA-N 0 3 290.407 3.683 20 30 CHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(C(C)(C)O)cc1 ZINC000924640942 1128109248 /nfs/dbraw/zinc/10/92/48/1128109248.db2.gz VJTVFUGSSDACIW-AWEZNQCLSA-N 0 3 294.398 3.636 20 30 CHEDHN CC[C@H](N[C@H](C)CC(C)(C)C#N)c1c(C)noc1C ZINC000925637426 1128135178 /nfs/dbraw/zinc/13/51/78/1128135178.db2.gz LCOVJMBLVRWRNJ-MFKMUULPSA-N 0 3 263.385 3.661 20 30 CHEDHN C#CCCCCN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000925526831 1128131317 /nfs/dbraw/zinc/13/13/17/1128131317.db2.gz MFUFAHJDUOUMEA-LJQANCHMSA-N 0 3 278.399 3.873 20 30 CHEDHN C=CCC[C@@H](N[C@@H](C)c1ccnnc1)c1ccccc1 ZINC000925581080 1128133183 /nfs/dbraw/zinc/13/31/83/1128133183.db2.gz WAFDPKNQRASXTB-WMLDXEAASA-N 0 3 267.376 3.835 20 30 CHEDHN Cc1ccccc1C[C@H](NCCCC#N)c1ccco1 ZINC000926132147 1128156553 /nfs/dbraw/zinc/15/65/53/1128156553.db2.gz JESHJLGBIPSWET-INIZCTEOSA-N 0 3 268.360 3.765 20 30 CHEDHN CCCCCCCCCNCc1ncc(Cl)n1C ZINC000780578037 1128161344 /nfs/dbraw/zinc/16/13/44/1128161344.db2.gz VVDGTACHKGGTRG-UHFFFAOYSA-N 0 3 271.836 3.914 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000926427406 1128172085 /nfs/dbraw/zinc/17/20/85/1128172085.db2.gz FEMSVVJKTMXIJP-DOMZBBRYSA-N 0 3 294.826 3.681 20 30 CHEDHN COc1cc(CN[C@@H]2CCc3cccc(C)c32)ccc1C#N ZINC000926448366 1128172459 /nfs/dbraw/zinc/17/24/59/1128172459.db2.gz DBNIGHLXIAEJQE-QGZVFWFLSA-N 0 3 292.382 3.652 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1csc(C(F)(F)F)c1 ZINC000926526476 1128178431 /nfs/dbraw/zinc/17/84/31/1128178431.db2.gz MRWMAUFFSYQCMV-IEBDPFPHSA-N 0 3 291.338 3.761 20 30 CHEDHN Cc1cccc2c1[C@@H](NCc1ccc(C#N)c(F)c1)CC2 ZINC000926549160 1128179701 /nfs/dbraw/zinc/17/97/01/1128179701.db2.gz DKANYYANZOUCDM-KRWDZBQOSA-N 0 3 280.346 3.783 20 30 CHEDHN C=CCOCCCN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000926705727 1128189063 /nfs/dbraw/zinc/18/90/63/1128189063.db2.gz VSIAACFPFHLKNA-LJQANCHMSA-N 0 3 296.414 3.662 20 30 CHEDHN N#CC1(CN[C@@H]2CCOC23CCCCC3)CCCCC1 ZINC000926713767 1128189640 /nfs/dbraw/zinc/18/96/40/1128189640.db2.gz WJDALDMWSDOHSV-OAHLLOKOSA-N 0 3 276.424 3.542 20 30 CHEDHN CSc1ccc(CN[C@H](C)C2(Cl)CC2)cc1C#N ZINC000926867265 1128199297 /nfs/dbraw/zinc/19/92/97/1128199297.db2.gz BUOUQXMRHFTMIA-SNVBAGLBSA-N 0 3 280.824 3.530 20 30 CHEDHN CC(C)(C)N(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000929834932 1128202985 /nfs/dbraw/zinc/20/29/85/1128202985.db2.gz ABJSYJTVXGVIHS-UHFFFAOYSA-N 0 3 279.387 3.754 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Cl)cc2c1OCC2 ZINC000927143147 1128222588 /nfs/dbraw/zinc/22/25/88/1128222588.db2.gz YIZXBEIAQMEKIM-COPLHBTASA-N 0 3 290.794 3.618 20 30 CHEDHN Cc1ccccc1[C@H]1CCCN1Cc1cncc(C#N)c1 ZINC000929294833 1128267919 /nfs/dbraw/zinc/26/79/19/1128267919.db2.gz FLYQSZJJFNIQPW-GOSISDBHSA-N 0 3 277.371 3.599 20 30 CHEDHN C[C@@]1(c2ccccc2)CCCN(Cc2cncc(C#N)c2)C1 ZINC000929641193 1128280950 /nfs/dbraw/zinc/28/09/50/1128280950.db2.gz NKFIVJOGMKHNNF-LJQANCHMSA-N 0 3 291.398 3.507 20 30 CHEDHN CN(Cc1nc2ccccc2o1)CC1CCC(C#N)CC1 ZINC000930030936 1128298887 /nfs/dbraw/zinc/29/88/87/1128298887.db2.gz HEHIKBJCKSZWPL-UHFFFAOYSA-N 0 3 283.375 3.590 20 30 CHEDHN N#CC1(CCCCN2CC3(C2)CC(F)(F)C3)CCC1 ZINC000930129575 1128302068 /nfs/dbraw/zinc/30/20/68/1128302068.db2.gz XRJMGIGIGUCWFS-UHFFFAOYSA-N 0 3 268.351 3.582 20 30 CHEDHN Cc1ccc([C@H]2CCN(Cc3cncc(C#N)c3)C2)c(C)c1 ZINC000930273008 1128311983 /nfs/dbraw/zinc/31/19/83/1128311983.db2.gz JPFZZTOJFAJGPM-SFHVURJKSA-N 0 3 291.398 3.560 20 30 CHEDHN Cc1ncc([C@@H](C)NCc2c(C)cc(C#N)cc2C)s1 ZINC000931467027 1128363033 /nfs/dbraw/zinc/36/30/33/1128363033.db2.gz GXLDJEQWSUWKKD-GFCCVEGCSA-N 0 3 285.416 3.791 20 30 CHEDHN C[C@H](CCC#N)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932214895 1128400375 /nfs/dbraw/zinc/40/03/75/1128400375.db2.gz SCFYLLSGLNBQCQ-UKRRQHHQSA-N 0 3 270.376 3.715 20 30 CHEDHN CC[C@@H](N[C@H](C)CCC#N)c1cc(F)ccc1OC ZINC000932475096 1128411485 /nfs/dbraw/zinc/41/14/85/1128411485.db2.gz RZVCBFCHOVFWNA-BXUZGUMPSA-N 0 3 264.344 3.567 20 30 CHEDHN C#CCC1(NCc2cc(-c3ccc(F)cc3)no2)CCC1 ZINC000933302944 1128433359 /nfs/dbraw/zinc/43/33/59/1128433359.db2.gz LEXOTVGMKCGIDT-UHFFFAOYSA-N 0 3 284.334 3.516 20 30 CHEDHN Cc1cccc(CN2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933606546 1128438295 /nfs/dbraw/zinc/43/82/95/1128438295.db2.gz JYHKYHPQTGKWOP-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC000933607995 1128438923 /nfs/dbraw/zinc/43/89/23/1128438923.db2.gz UVKGEGVWIHBODU-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000934339655 1128458682 /nfs/dbraw/zinc/45/86/82/1128458682.db2.gz PUXFSWFIOTUUCZ-WFASDCNBSA-N 0 3 290.794 3.617 20 30 CHEDHN Cc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1C#N ZINC000934701448 1128467374 /nfs/dbraw/zinc/46/73/74/1128467374.db2.gz PNCXXACNURXBSP-GOSISDBHSA-N 0 3 277.371 3.503 20 30 CHEDHN Cc1ccoc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000154380345 1128497832 /nfs/dbraw/zinc/49/78/32/1128497832.db2.gz RJOWSAUFJBDVCL-UHFFFAOYSA-N 0 3 268.360 3.870 20 30 CHEDHN C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cn2)C1 ZINC000567103406 1128558253 /nfs/dbraw/zinc/55/82/53/1128558253.db2.gz ZPJIPODZAXIZTO-LJQANCHMSA-N 0 3 291.398 3.507 20 30 CHEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CC2)cc(C)c1O ZINC000565944222 1128534796 /nfs/dbraw/zinc/53/47/96/1128534796.db2.gz ZCSJOLQUGGVRMB-UHFFFAOYSA-N 0 3 292.382 3.660 20 30 CHEDHN CCCCCCCCCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000918393759 1128543353 /nfs/dbraw/zinc/54/33/53/1128543353.db2.gz BSKZWQVKKHXDRN-MRXNPFEDSA-N 0 3 282.472 3.728 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000567285019 1128561324 /nfs/dbraw/zinc/56/13/24/1128561324.db2.gz DJPSGTVIPWOGNG-LBPRGKRZSA-N 0 3 286.325 3.882 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(Cl)s1 ZINC000130432809 1128582773 /nfs/dbraw/zinc/58/27/73/1128582773.db2.gz PSMASLYGMVKPLX-SNVBAGLBSA-N 0 3 259.802 3.645 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000037502476 1128584165 /nfs/dbraw/zinc/58/41/65/1128584165.db2.gz UCNYBUGOXXBZMV-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN N#Cc1ccc(CN2CCC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC000568399340 1128584379 /nfs/dbraw/zinc/58/43/79/1128584379.db2.gz KCCJGJNXTPYHLQ-UHFFFAOYSA-N 0 3 299.374 3.623 20 30 CHEDHN COc1ccc2c(c1)C[C@H](C)N(CCC(C)(C)C#N)[C@H]2C ZINC000543846276 1128605951 /nfs/dbraw/zinc/60/59/51/1128605951.db2.gz ADGKKOFJMMXBQD-KBPBESRZSA-N 0 3 286.419 3.943 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CCCC1 ZINC000750689923 1128626690 /nfs/dbraw/zinc/62/66/90/1128626690.db2.gz NUVRTRNZUUPPKH-YPMHNXCESA-N 0 3 282.343 3.830 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN(C)[C@H](C)c1ccncc1 ZINC000930118339 1128665686 /nfs/dbraw/zinc/66/56/86/1128665686.db2.gz DAEFZKXYSSOLEG-OAHLLOKOSA-N 0 3 279.387 3.763 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000574118993 1128662261 /nfs/dbraw/zinc/66/22/61/1128662261.db2.gz JMNIRWOJZMCKNB-OAHLLOKOSA-N 0 3 274.408 3.528 20 30 CHEDHN CCCCCCC[C@H](C)NCc1cc2n(n1)CCCO2 ZINC001258043203 1128686105 /nfs/dbraw/zinc/68/61/05/1128686105.db2.gz LVTGKUGYDWIYJG-AWEZNQCLSA-N 0 3 279.428 3.504 20 30 CHEDHN N#CC1(CN[C@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000578076250 1128706059 /nfs/dbraw/zinc/70/60/59/1128706059.db2.gz BQQSSVIDXBUGKQ-IRXDYDNUSA-N 0 3 268.404 3.996 20 30 CHEDHN C[C@H](N[C@H]1CCCc2ncccc21)c1cccc(C#N)c1 ZINC000601267396 1128707020 /nfs/dbraw/zinc/70/70/20/1128707020.db2.gz XGEJWJNOIKLQTH-UGSOOPFHSA-N 0 3 277.371 3.681 20 30 CHEDHN COc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000601267012 1128707095 /nfs/dbraw/zinc/70/70/95/1128707095.db2.gz SQTOKBXXTUXOLV-YJYMSZOUSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCCCCN[C@@H](C)c1nc2c(s1)CCC2 ZINC000578107346 1128707116 /nfs/dbraw/zinc/70/71/16/1128707116.db2.gz PNAHIGGYWSKADT-NSHDSACASA-N 0 3 250.411 3.639 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2ncccc21)c1ccc(C#N)cc1 ZINC000601264855 1128707241 /nfs/dbraw/zinc/70/72/41/1128707241.db2.gz ILAOKXGJUOHHTF-SCLBCKFNSA-N 0 3 277.371 3.681 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2ncccc21 ZINC000601278348 1128708003 /nfs/dbraw/zinc/70/80/03/1128708003.db2.gz SCEOTPIOWKVEIZ-MOPGFXCFSA-N 0 3 289.382 3.608 20 30 CHEDHN N#CC(C(=O)CCc1ccoc1)c1ccc2ccccc2n1 ZINC000753390117 1128717108 /nfs/dbraw/zinc/71/71/08/1128717108.db2.gz JRIOQDQWVYDZRU-HNNXBMFYSA-N 0 3 290.322 3.637 20 30 CHEDHN N#CC(=C([O-])C=Cc1ccc(Cl)s1)c1ccccn1 ZINC000049457320 1117750043 /nfs/dbraw/zinc/75/00/43/1117750043.db2.gz HPXNFAWHLJUREG-DUMNWFOQSA-N 0 3 288.759 3.686 20 30 CHEDHN N#CC(C(=O)C=Cc1ccc(Cl)s1)c1ccccn1 ZINC000049457320 1117750050 /nfs/dbraw/zinc/75/00/50/1117750050.db2.gz HPXNFAWHLJUREG-DUMNWFOQSA-N 0 3 288.759 3.686 20 30 CHEDHN N#Cc1cc(CN2CCC[C@@H]3CCC[C@H]32)ccc1Cl ZINC001238190471 1117818738 /nfs/dbraw/zinc/81/87/38/1117818738.db2.gz CTSCNWFMIBCVKQ-XJKSGUPXSA-N 0 3 274.795 3.976 20 30 CHEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)cs1 ZINC000286096720 1117903568 /nfs/dbraw/zinc/90/35/68/1117903568.db2.gz ZUFSEDVEKPUTGY-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN CCCCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC001238406763 1117911976 /nfs/dbraw/zinc/91/19/76/1117911976.db2.gz QXEWNYPZVJLLFY-UHFFFAOYSA-N 0 3 286.419 3.969 20 30 CHEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H]1C=CCCC1 ZINC000066496932 1117915499 /nfs/dbraw/zinc/91/54/99/1117915499.db2.gz OPZAAHLWAZBLOI-QGZVFWFLSA-N 0 3 252.361 3.655 20 30 CHEDHN Cc1ccccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000237578920 1128744179 /nfs/dbraw/zinc/74/41/79/1128744179.db2.gz KRXXOLLLWCMONG-OAHLLOKOSA-N 0 3 280.371 3.576 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000122885525 1117926162 /nfs/dbraw/zinc/92/61/62/1117926162.db2.gz VGAKMDROCLBTMB-AWEZNQCLSA-N 0 3 275.355 3.623 20 30 CHEDHN C=CCC[C@H](NCc1ccns1)c1ccccc1 ZINC000624047647 1117975650 /nfs/dbraw/zinc/97/56/50/1117975650.db2.gz JZHGZRRQVQWJBY-HNNXBMFYSA-N 0 3 258.390 3.940 20 30 CHEDHN N#CCc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000579472490 1128749332 /nfs/dbraw/zinc/74/93/32/1128749332.db2.gz WPSLLFAZCHBUEO-GOSISDBHSA-N 0 3 280.346 3.669 20 30 CHEDHN C=CCOc1ccccc1CNCc1ccccc1C ZINC000037486702 1118022377 /nfs/dbraw/zinc/02/23/77/1118022377.db2.gz KKVMHPUWSJWHBY-UHFFFAOYSA-N 0 3 267.372 3.850 20 30 CHEDHN C=CCC[C@H](C)N[C@@H](COCC(C)C)c1ccco1 ZINC000184199494 1118052782 /nfs/dbraw/zinc/05/27/82/1118052782.db2.gz JLFYLUNAJMTOOA-GJZGRUSLSA-N 0 3 265.397 3.938 20 30 CHEDHN C=CCCCCCCCCN1CCCC2(C1)OCCO2 ZINC001209446437 1118064784 /nfs/dbraw/zinc/06/47/84/1118064784.db2.gz ZBXUXKPTUPNPKV-UHFFFAOYSA-N 0 3 281.440 3.742 20 30 CHEDHN CC1(C)CCC(C=Nn2cnnc2-c2ccccc2)CC1 ZINC000764669856 1118105626 /nfs/dbraw/zinc/10/56/26/1118105626.db2.gz ZTFJMBYDXOHTAB-UHFFFAOYSA-N 0 3 282.391 3.995 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000765013538 1118129404 /nfs/dbraw/zinc/12/94/04/1118129404.db2.gz HUNSLVHVEDCICG-SFHVURJKSA-N 0 3 294.423 3.678 20 30 CHEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccccc1F ZINC000075655598 1128764338 /nfs/dbraw/zinc/76/43/38/1128764338.db2.gz YTFFWGZZBHXSFS-GOSISDBHSA-N 0 3 285.362 3.547 20 30 CHEDHN N#CCCN[C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449287086 1118271741 /nfs/dbraw/zinc/27/17/41/1118271741.db2.gz JEJZOWBDSNHMML-OAHLLOKOSA-N 0 3 260.768 3.779 20 30 CHEDHN CCC#C[C@H](C)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000671705934 1118277381 /nfs/dbraw/zinc/27/73/81/1118277381.db2.gz NBTHXDZJNDNXOD-ZFWWWQNUSA-N 0 3 275.392 3.546 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C#N)o2)C1 ZINC000289275231 1118305493 /nfs/dbraw/zinc/30/54/93/1118305493.db2.gz GQUXJHQHOMCECM-DYVFJYSZSA-N 0 3 266.344 3.734 20 30 CHEDHN C[C@H](NCc1cc2ccccc2[nH]1)c1ccc(C#N)cc1 ZINC000610341820 1118334577 /nfs/dbraw/zinc/33/45/77/1118334577.db2.gz XKPSQXYLUKRJSI-ZDUSSCGKSA-N 0 3 275.355 3.890 20 30 CHEDHN CC(C)(NCc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000177696026 1118369901 /nfs/dbraw/zinc/36/99/01/1118369901.db2.gz ZLQYLAUOGZLHMN-UHFFFAOYSA-N 0 3 274.364 3.784 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cn1)[C@@H](C)c1ccccc1 ZINC000580960093 1118529886 /nfs/dbraw/zinc/52/98/86/1118529886.db2.gz DBWJWKYGIMPZLR-HNNXBMFYSA-N 0 3 279.387 3.925 20 30 CHEDHN Cc1cncc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000334921035 1118562185 /nfs/dbraw/zinc/56/21/85/1118562185.db2.gz IIGDLTHESSBMCM-LIRRHRJNSA-N 0 3 291.398 3.990 20 30 CHEDHN C=CC(C)(C)CN[C@H](C)c1nc(Br)cs1 ZINC000834882680 1118607479 /nfs/dbraw/zinc/60/74/79/1118607479.db2.gz CTDIGRFNHGZMFC-MRVPVSSYSA-N 0 3 289.242 3.768 20 30 CHEDHN N#CC(C(=O)C1CCCCCCC1)c1ccccn1 ZINC000076824265 1118654032 /nfs/dbraw/zinc/65/40/32/1118654032.db2.gz RDPWDAGLSRPVNG-CQSZACIVSA-N 0 3 256.349 3.618 20 30 CHEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cncc(F)c1 ZINC000335906358 1118670356 /nfs/dbraw/zinc/67/03/56/1118670356.db2.gz XEMDUHZFSNBRJW-SGTLLEGYSA-N 0 3 295.361 3.821 20 30 CHEDHN C=C(Br)CN(CC(C)C)C1CCCC1 ZINC000308564361 1118734743 /nfs/dbraw/zinc/73/47/43/1118734743.db2.gz HBIDWKLDFMMDCT-UHFFFAOYSA-N 0 3 260.219 3.796 20 30 CHEDHN COc1cccc2cc([C@@H](C)NCC3(CC#N)CC3)oc21 ZINC000430742596 1118765957 /nfs/dbraw/zinc/76/59/57/1118765957.db2.gz MSTKTFBZRINSCL-GFCCVEGCSA-N 0 3 284.359 3.786 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccccc1OC(F)F ZINC000430760193 1118768478 /nfs/dbraw/zinc/76/84/78/1118768478.db2.gz INABDJZVXMLSIX-LLVKDONJSA-N 0 3 280.318 3.632 20 30 CHEDHN C=CCOc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1 ZINC000535824119 1118902114 /nfs/dbraw/zinc/90/21/14/1118902114.db2.gz SSZVFCFZNUKWAA-KBPBESRZSA-N 0 3 277.433 3.577 20 30 CHEDHN C=CCC1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCCCC1 ZINC000617006265 1128809000 /nfs/dbraw/zinc/80/90/00/1128809000.db2.gz ZDSGFVPTQUCUAH-HNNXBMFYSA-N 0 3 292.467 3.502 20 30 CHEDHN CCCN(CCC)Cc1ccc(C#N)cc1Cl ZINC000162856744 1118946072 /nfs/dbraw/zinc/94/60/72/1118946072.db2.gz FYGUULIECNJSBW-UHFFFAOYSA-N 0 3 250.773 3.834 20 30 CHEDHN C=CCN(CC=C)CCSc1ccc(F)cc1 ZINC000216426681 1118977508 /nfs/dbraw/zinc/97/75/08/1118977508.db2.gz LTMBVIKXBQMLHQ-UHFFFAOYSA-N 0 3 251.370 3.592 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccccc2OC2CCCC2)C1 ZINC000472140927 1118993533 /nfs/dbraw/zinc/99/35/33/1118993533.db2.gz VTBDFPNQTHGYGY-HOCLYGCPSA-N 0 3 284.403 3.790 20 30 CHEDHN C=CCN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511060659 1118996142 /nfs/dbraw/zinc/99/61/42/1118996142.db2.gz UKOPLOMVYDVFJE-HNNXBMFYSA-N 0 3 251.320 3.734 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CS1 ZINC000617099092 1128815110 /nfs/dbraw/zinc/81/51/10/1128815110.db2.gz RUSYOFHYCHNJFZ-ZFWWWQNUSA-N 0 3 292.423 3.707 20 30 CHEDHN C=C(Br)CNC[C@H](C)c1cccc(Cl)c1 ZINC000308975785 1119016277 /nfs/dbraw/zinc/01/62/77/1119016277.db2.gz GPXNURSDECJUFK-VIFPVBQESA-N 0 3 288.616 3.942 20 30 CHEDHN Cc1cnc(C#N)c(Nc2ccnc(C(C)(C)C)c2)c1 ZINC001213163205 1119151133 /nfs/dbraw/zinc/15/11/33/1119151133.db2.gz YFOWLLFHYIDUNA-UHFFFAOYSA-N 0 3 266.348 3.698 20 30 CHEDHN C=CCCC1(CNCc2cn(C(C)(C)C)nn2)CCCC1 ZINC000657567337 1119189523 /nfs/dbraw/zinc/18/95/23/1119189523.db2.gz QAJUEUJCTGZYBJ-UHFFFAOYSA-N 0 3 290.455 3.649 20 30 CHEDHN C=CCOc1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1 ZINC000657692159 1119251303 /nfs/dbraw/zinc/25/13/03/1119251303.db2.gz OASFHDMGUAIUQL-IBGZPJMESA-N 0 3 295.382 3.734 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000343408299 1119412568 /nfs/dbraw/zinc/41/25/68/1119412568.db2.gz YGXAOAHOOYTTIA-UHFFFAOYSA-N 0 3 280.318 3.534 20 30 CHEDHN C=CCOc1ccc(CNCc2cccc(OC)c2C)cc1 ZINC000657801651 1119425568 /nfs/dbraw/zinc/42/55/68/1119425568.db2.gz ARLSLIXUWVYDDA-UHFFFAOYSA-N 0 3 297.398 3.858 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)c(F)c1 ZINC000250887363 1119531292 /nfs/dbraw/zinc/53/12/92/1119531292.db2.gz JRUKQVQFJSOXHL-GJZGRUSLSA-N 0 3 272.367 3.709 20 30 CHEDHN C[C@H](C1CC1)N(C)Cc1ccc(Br)cc1C#N ZINC000310308363 1119738779 /nfs/dbraw/zinc/73/87/79/1119738779.db2.gz SIDKGVRKQRZWDG-SNVBAGLBSA-N 0 3 293.208 3.551 20 30 CHEDHN C=CCN(Cc1cncc(OC)c1)CC1CCCCC1 ZINC000584492967 1119810088 /nfs/dbraw/zinc/81/00/88/1119810088.db2.gz ANYGSFGOQILIIJ-UHFFFAOYSA-N 0 3 274.408 3.659 20 30 CHEDHN COC[C@@H](NCC(C)(C)CC#N)c1ccc(Cl)cc1 ZINC000414159916 1119920205 /nfs/dbraw/zinc/92/02/05/1119920205.db2.gz CCYRPFOACHZCOY-CQSZACIVSA-N 0 3 280.799 3.557 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CCSc2c(F)cccc21 ZINC000414175781 1119927147 /nfs/dbraw/zinc/92/71/47/1119927147.db2.gz ZRHRCLBLDXMBOV-ZDUSSCGKSA-N 0 3 278.396 3.892 20 30 CHEDHN CO[C@@](C)([C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000414239901 1119951624 /nfs/dbraw/zinc/95/16/24/1119951624.db2.gz NEIFWVLOLPSNBY-JKDFXYPNSA-N 0 3 290.382 3.552 20 30 CHEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1C ZINC000186315219 1120023394 /nfs/dbraw/zinc/02/33/94/1120023394.db2.gz FMZIGMHWAJGHKC-SFHVURJKSA-N 0 3 279.387 3.845 20 30 CHEDHN CC[C@@H](CCc1ccccc1)NCC1(C#N)CCC1 ZINC000903035718 1120065462 /nfs/dbraw/zinc/06/54/62/1120065462.db2.gz TYRBTYWXMYXNAA-INIZCTEOSA-N 0 3 256.393 3.681 20 30 CHEDHN C[C@@H](C#N)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000542695803 1120122135 /nfs/dbraw/zinc/12/21/35/1120122135.db2.gz FEVJPSXPYAPGEY-BLLLJJGKSA-N 0 3 258.340 3.511 20 30 CHEDHN CN1CC[C@H](Nc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000302835571 1120164487 /nfs/dbraw/zinc/16/44/87/1120164487.db2.gz VPMCDASBGKJGHV-ROUUACIJSA-N 0 3 295.361 3.555 20 30 CHEDHN CCN(Cc1cc(C#N)cs1)Cc1ccccc1C ZINC000153743868 1120170540 /nfs/dbraw/zinc/17/05/40/1120170540.db2.gz JWEHZCUVRBOGGP-UHFFFAOYSA-N 0 3 270.401 3.950 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000303554394 1120177861 /nfs/dbraw/zinc/17/78/61/1120177861.db2.gz KCVGAQYGEOUYMR-SFHVURJKSA-N 0 3 266.388 3.881 20 30 CHEDHN C=C[C@H](COC)N[C@H](C)c1ccc(SC(F)F)cc1 ZINC001116642753 1120179767 /nfs/dbraw/zinc/17/97/67/1120179767.db2.gz AEFNZBPPIVSZQC-ZYHUDNBSSA-N 0 3 287.375 3.853 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000252924329 1120260584 /nfs/dbraw/zinc/26/05/84/1120260584.db2.gz LBLFGPQQAPTWCJ-VXGBXAGGSA-N 0 3 262.784 3.690 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000252924328 1120260633 /nfs/dbraw/zinc/26/06/33/1120260633.db2.gz LBLFGPQQAPTWCJ-NWDGAFQWSA-N 0 3 262.784 3.690 20 30 CHEDHN C[C@H](NCCCCC#N)c1c(F)cccc1Cl ZINC000181748669 1128902975 /nfs/dbraw/zinc/90/29/75/1128902975.db2.gz SQECYWHMFQGQIO-JTQLQIEISA-N 0 3 254.736 3.824 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(C#N)c1 ZINC000188091278 1120268228 /nfs/dbraw/zinc/26/82/28/1120268228.db2.gz DAFBDMOVGYSRMF-CQSZACIVSA-N 0 3 275.355 3.623 20 30 CHEDHN C=CCC[C@@H](NCc1cnn(CCF)c1)c1ccccc1 ZINC000921918983 1120281707 /nfs/dbraw/zinc/28/17/07/1120281707.db2.gz YTQZGWPYSQWOMS-QGZVFWFLSA-N 0 3 287.382 3.650 20 30 CHEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000922073190 1120356165 /nfs/dbraw/zinc/35/61/65/1120356165.db2.gz PIDSVXKZZJYIEQ-IBGZPJMESA-N 0 3 292.382 3.652 20 30 CHEDHN N#CCC1(CNCc2cccc(Oc3ccccn3)c2)CC1 ZINC000922086088 1120359990 /nfs/dbraw/zinc/35/99/90/1120359990.db2.gz YUYWJNIEBPBRFA-UHFFFAOYSA-N 0 3 293.370 3.657 20 30 CHEDHN Cc1cc(CNCC2(CC#N)CC2)sc1Br ZINC000309861269 1120369527 /nfs/dbraw/zinc/36/95/27/1120369527.db2.gz MRVSACUKTZMUNZ-UHFFFAOYSA-N 0 3 299.237 3.603 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)CC(C)(C)C1 ZINC000543182052 1120454151 /nfs/dbraw/zinc/45/41/51/1120454151.db2.gz NFUNXMGACMALNJ-LBPRGKRZSA-N 0 3 260.356 3.565 20 30 CHEDHN Cc1cccc([C@H]2CCCN2Cc2ccc(CC#N)cc2)n1 ZINC000543206073 1120461097 /nfs/dbraw/zinc/46/10/97/1120461097.db2.gz NXBVSVDNLZEFAD-LJQANCHMSA-N 0 3 291.398 3.793 20 30 CHEDHN C#CCOc1ccc(CNC(C)(C)c2cccc(F)c2)cc1 ZINC000236696259 1120465529 /nfs/dbraw/zinc/46/55/29/1120465529.db2.gz YSCYABALWWQYHG-UHFFFAOYSA-N 0 3 297.373 3.863 20 30 CHEDHN CC(C)(C#N)CNCCCc1c(F)cccc1Cl ZINC000618604713 1128923385 /nfs/dbraw/zinc/92/33/85/1128923385.db2.gz GIAZQHMZVJXJMY-UHFFFAOYSA-N 0 3 268.763 3.551 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000154350319 1120544141 /nfs/dbraw/zinc/54/41/41/1120544141.db2.gz GIHXHYDCPVGUGW-YVEFUNNKSA-N 0 3 296.418 3.711 20 30 CHEDHN C=CCCOCCNC1c2ccccc2-c2ccccc21 ZINC000183920019 1120566841 /nfs/dbraw/zinc/56/68/41/1120566841.db2.gz BBMVTNUQENZLMG-UHFFFAOYSA-N 0 3 279.383 3.939 20 30 CHEDHN CC[C@@H]1CCCCN1CCNc1c(F)cc(C#N)cc1F ZINC000500418137 1120618703 /nfs/dbraw/zinc/61/87/03/1120618703.db2.gz DOPPKSJJSCNNDA-CYBMUJFWSA-N 0 3 293.361 3.513 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccnc2ccccc21 ZINC000618693685 1128933484 /nfs/dbraw/zinc/93/34/84/1128933484.db2.gz MTFLWHQAYRDRMU-SFHVURJKSA-N 0 3 285.350 3.628 20 30 CHEDHN CCCCN(CC)Cc1ccc(C#N)cc1Cl ZINC000162858250 1120695075 /nfs/dbraw/zinc/69/50/75/1120695075.db2.gz XVPYYYNBZZJXCZ-UHFFFAOYSA-N 0 3 250.773 3.834 20 30 CHEDHN CC(C)CN(Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000162889145 1120696058 /nfs/dbraw/zinc/69/60/58/1120696058.db2.gz PAAQBJHVMDFQCB-UHFFFAOYSA-N 0 3 262.784 3.832 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(-c2ccco2)no1 ZINC000661120010 1120720900 /nfs/dbraw/zinc/72/09/00/1120720900.db2.gz YOVSKVJNEUVZHE-STQMWFEESA-N 0 3 287.363 3.554 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(-c2ccco2)no1 ZINC000661120006 1120720946 /nfs/dbraw/zinc/72/09/46/1120720946.db2.gz YOVSKVJNEUVZHE-QWHCGFSZSA-N 0 3 287.363 3.554 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccco2)o1 ZINC000661117035 1120720964 /nfs/dbraw/zinc/72/09/64/1120720964.db2.gz CLMRPNLQQGTSBM-QWHCGFSZSA-N 0 3 287.363 3.554 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2cnccc2c1 ZINC000618741870 1128936068 /nfs/dbraw/zinc/93/60/68/1128936068.db2.gz NIGXSRKFKOKFEK-HXUWFJFHSA-N 0 3 299.377 3.884 20 30 CHEDHN COc1ccsc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618802473 1128938250 /nfs/dbraw/zinc/93/82/50/1128938250.db2.gz DXYOVNHUBDCRDB-ABAIWWIYSA-N 0 3 298.411 3.966 20 30 CHEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000661379359 1120759599 /nfs/dbraw/zinc/75/95/99/1120759599.db2.gz XHBCPIQZVRISOZ-CVEARBPZSA-N 0 3 286.419 3.610 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]2COc2ccccc2)s1 ZINC000125443537 1120761794 /nfs/dbraw/zinc/76/17/94/1120761794.db2.gz SZZARKJDTKOTKS-AWEZNQCLSA-N 0 3 298.411 3.663 20 30 CHEDHN C=CCC[C@H](O)CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661445588 1120767384 /nfs/dbraw/zinc/76/73/84/1120767384.db2.gz ITKNEXJADJWWCN-GOEBONIOSA-N 0 3 275.392 3.524 20 30 CHEDHN C=CCC[C@@H](O)CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661445587 1120767478 /nfs/dbraw/zinc/76/74/78/1120767478.db2.gz ITKNEXJADJWWCN-GDBMZVCRSA-N 0 3 275.392 3.524 20 30 CHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000618807249 1128940678 /nfs/dbraw/zinc/94/06/78/1128940678.db2.gz WSSVNVIHISPYSC-ORAYPTAESA-N 0 3 287.366 3.768 20 30 CHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccs1 ZINC000618807348 1128941012 /nfs/dbraw/zinc/94/10/12/1128941012.db2.gz YFPNGCAZHMVBSK-NHYWBVRUSA-N 0 3 268.385 3.958 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc(COC)o1 ZINC000093497969 1120815520 /nfs/dbraw/zinc/81/55/20/1120815520.db2.gz BNCOGBMNVGKWDI-UHFFFAOYSA-N 0 3 251.370 3.604 20 30 CHEDHN C=CCC1(NCc2csc(N(C)C3CC3)n2)CCCC1 ZINC000661864326 1120827157 /nfs/dbraw/zinc/82/71/57/1120827157.db2.gz PEPXTXWUFQGLKK-UHFFFAOYSA-N 0 3 291.464 3.720 20 30 CHEDHN C=CCC1(NCc2nc3cc(F)ccc3o2)CCCC1 ZINC000661866718 1120829058 /nfs/dbraw/zinc/82/90/58/1120829058.db2.gz UKSBJLPIUNGSCD-UHFFFAOYSA-N 0 3 274.339 3.945 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1Cl ZINC000625558128 1121016876 /nfs/dbraw/zinc/01/68/76/1121016876.db2.gz LTNORQGFPJOJDE-BETUJISGSA-N 0 3 263.768 3.729 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1C[C@@H](C)C[C@H](C)C1 ZINC001205052857 1121024410 /nfs/dbraw/zinc/02/44/10/1121024410.db2.gz NKBWIGGGECOEHG-KBPBESRZSA-N 0 3 291.822 3.830 20 30 CHEDHN C=CC[C@H]1CCN(Cc2nc3ccc(OC)cc3s2)C1 ZINC000625700571 1121060237 /nfs/dbraw/zinc/06/02/37/1121060237.db2.gz CBFYYOWBSPJVAA-LBPRGKRZSA-N 0 3 288.416 3.703 20 30 CHEDHN C=CC[C@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000625703643 1121063335 /nfs/dbraw/zinc/06/33/35/1121063335.db2.gz OBJVCAJMRAUDPP-ZDUSSCGKSA-N 0 3 286.350 3.879 20 30 CHEDHN CCc1ccc(CN2CCc3c(CC#N)cccc3C2)cc1 ZINC001175061138 1121146290 /nfs/dbraw/zinc/14/62/90/1121146290.db2.gz FHAIXOMMENRTSM-UHFFFAOYSA-N 0 3 290.410 3.873 20 30 CHEDHN Cc1nc(C)c([C@@H](C)NCc2ccc(C)c(C#N)c2)s1 ZINC000701826222 1121169588 /nfs/dbraw/zinc/16/95/88/1121169588.db2.gz JTPMTTCRSJWRRW-LLVKDONJSA-N 0 3 285.416 3.791 20 30 CHEDHN C=C(CNCc1c[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000674716962 1121172831 /nfs/dbraw/zinc/17/28/31/1121172831.db2.gz CZSDPPYKYMYORL-UHFFFAOYSA-N 0 3 289.382 3.880 20 30 CHEDHN C=C(CNCc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000674716962 1121172834 /nfs/dbraw/zinc/17/28/34/1121172834.db2.gz CZSDPPYKYMYORL-UHFFFAOYSA-N 0 3 289.382 3.880 20 30 CHEDHN C#CC[C@H](NCc1ccsc1C)c1ccccc1 ZINC000293392262 1121242493 /nfs/dbraw/zinc/24/24/93/1121242493.db2.gz XEAMWZRPUNYTCR-INIZCTEOSA-N 0 3 255.386 3.911 20 30 CHEDHN CC(C)(C#N)CCCCN1CCc2sccc2C1 ZINC000232531953 1121264463 /nfs/dbraw/zinc/26/44/63/1121264463.db2.gz GOBUUBWLJJYOEE-UHFFFAOYSA-N 0 3 262.422 3.826 20 30 CHEDHN CCc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000174429754 1121284463 /nfs/dbraw/zinc/28/44/63/1121284463.db2.gz DZGTYGBVJDQOLC-CQSZACIVSA-N 0 3 264.372 3.971 20 30 CHEDHN C=C[C@@H](C)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000237410542 1121375594 /nfs/dbraw/zinc/37/55/94/1121375594.db2.gz UPRTTWNAZVHUKJ-SNVBAGLBSA-N 0 3 263.287 3.889 20 30 CHEDHN C=C(CNCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000676044409 1121401884 /nfs/dbraw/zinc/40/18/84/1121401884.db2.gz QJVLRLCRBIEALX-UHFFFAOYSA-N 0 3 289.382 3.880 20 30 CHEDHN C=C(C)[C@@H](NC[C@@H](O)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000676495818 1121439391 /nfs/dbraw/zinc/43/93/91/1121439391.db2.gz MNQCVUDWHCVNJV-HUUCEWRRSA-N 0 3 283.362 3.579 20 30 CHEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCC1(C#N)CCC1 ZINC000450692184 1121480753 /nfs/dbraw/zinc/48/07/53/1121480753.db2.gz KHBCTWQHAJMALZ-MRXNPFEDSA-N 0 3 274.383 3.676 20 30 CHEDHN CC1(c2ccccc2)CCN(Cc2ccnc(C#N)c2)CC1 ZINC000611075158 1121626949 /nfs/dbraw/zinc/62/69/49/1121626949.db2.gz HPEBWWFDCKCGEL-UHFFFAOYSA-N 0 3 291.398 3.507 20 30 CHEDHN C[C@H]1CCCC[C@H]1OCCNC1(c2cccc(C#N)c2)CC1 ZINC000611396022 1121644102 /nfs/dbraw/zinc/64/41/02/1121644102.db2.gz AQGKHKIXZQXYEY-MAUKXSAKSA-N 0 3 298.430 3.732 20 30 CHEDHN CCOc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1O ZINC000611438934 1121647265 /nfs/dbraw/zinc/64/72/65/1121647265.db2.gz TXJWGNRIXKWOFH-ZDUSSCGKSA-N 0 3 296.370 3.513 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428744079 1121658288 /nfs/dbraw/zinc/65/82/88/1121658288.db2.gz LXNMIAMYNNYUFB-DFBGVHRSSA-N 0 3 276.330 3.596 20 30 CHEDHN Cc1ccc(F)cc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000129021408 1121693904 /nfs/dbraw/zinc/69/39/04/1121693904.db2.gz OUESNWJJCJIUEO-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN C=CCC[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001176771750 1121694350 /nfs/dbraw/zinc/69/43/50/1121694350.db2.gz UBGYMUMKWGTCNL-AWEZNQCLSA-N 0 3 278.327 3.665 20 30 CHEDHN C=CCCCN(CC)Cc1cccc(C(=O)OC)c1Cl ZINC001176798597 1121697261 /nfs/dbraw/zinc/69/72/61/1121697261.db2.gz UXQINIQDXGTRQW-UHFFFAOYSA-N 0 3 295.810 3.915 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000614402896 1121710657 /nfs/dbraw/zinc/71/06/57/1121710657.db2.gz OTEYVQVOQSQIHO-KRWDZBQOSA-N 0 3 265.360 3.532 20 30 CHEDHN CCc1cnccc1[C@@H](C)NCc1ccc(C#N)cc1C ZINC000614406217 1121710805 /nfs/dbraw/zinc/71/08/05/1121710805.db2.gz XPLKDKRREIMGSF-CQSZACIVSA-N 0 3 279.387 3.675 20 30 CHEDHN COc1ccc(C2(NCc3ccc(C#N)cc3C)CC2)cc1 ZINC000614407676 1121713170 /nfs/dbraw/zinc/71/31/70/1121713170.db2.gz WFUWPPSOJBXFQT-UHFFFAOYSA-N 0 3 292.382 3.654 20 30 CHEDHN Cc1oc(C(C)(C)C)cc1CNCC1(CC#N)CC1 ZINC000894197070 1121730083 /nfs/dbraw/zinc/73/00/83/1121730083.db2.gz BQSCVFISQKFJJC-UHFFFAOYSA-N 0 3 260.381 3.669 20 30 CHEDHN C=CCC(C)(C)CNCc1c(F)cc(C)cc1F ZINC001178795697 1121816685 /nfs/dbraw/zinc/81/66/85/1121816685.db2.gz NGDXEKPHBXWTLZ-UHFFFAOYSA-N 0 3 253.336 3.965 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(SC)cc2)c1 ZINC001178950339 1121833616 /nfs/dbraw/zinc/83/36/16/1121833616.db2.gz MSINHTMOFYURHT-UHFFFAOYSA-N 0 3 267.397 3.680 20 30 CHEDHN C=CCOc1cccc(CNCc2ccc(CC#N)cc2)c1 ZINC001179024304 1121837308 /nfs/dbraw/zinc/83/73/08/1121837308.db2.gz GEZZOMBQBVNCQK-UHFFFAOYSA-N 0 3 292.382 3.607 20 30 CHEDHN N#CCOc1ccc(CN2CCCc3sccc3C2)cc1 ZINC000731213248 1121855534 /nfs/dbraw/zinc/85/55/34/1121855534.db2.gz YVPKMQZXGUAAPV-UHFFFAOYSA-N 0 3 298.411 3.599 20 30 CHEDHN N#Cc1ccc(CNCc2ccnc(-c3ccccc3)c2)cc1 ZINC001179303971 1121869246 /nfs/dbraw/zinc/86/92/46/1121869246.db2.gz FKEUYZREDBPPDM-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN C#CC1(NCc2ccc(Br)s2)CCCC1 ZINC001179438108 1121877429 /nfs/dbraw/zinc/87/74/29/1121877429.db2.gz REDGBUCNHSINAR-UHFFFAOYSA-N 0 3 284.222 3.546 20 30 CHEDHN CCCCCCCCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000732160282 1121907782 /nfs/dbraw/zinc/90/77/82/1121907782.db2.gz OGALQVHYESFMEW-QGZVFWFLSA-N 0 3 294.483 3.680 20 30 CHEDHN N#CCCCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000070975423 1129023776 /nfs/dbraw/zinc/02/37/76/1129023776.db2.gz RWEJGZQGFCQLST-UHFFFAOYSA-N 0 3 284.359 3.681 20 30 CHEDHN N#CCCCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000070975423 1129023779 /nfs/dbraw/zinc/02/37/79/1129023779.db2.gz RWEJGZQGFCQLST-UHFFFAOYSA-N 0 3 284.359 3.681 20 30 CHEDHN CC1(C)CCC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC001180942777 1122024835 /nfs/dbraw/zinc/02/48/35/1122024835.db2.gz LMEUXSFFLQHOPM-CYBMUJFWSA-N 0 3 260.356 3.756 20 30 CHEDHN N#CCc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420938324 1122046905 /nfs/dbraw/zinc/04/69/05/1122046905.db2.gz AQRCLDFWMCGTLL-OAHLLOKOSA-N 0 3 296.336 3.917 20 30 CHEDHN CC(C)C1CCC(CN(C)CC(C)(C)C#N)CC1 ZINC001181985766 1122100387 /nfs/dbraw/zinc/10/03/87/1122100387.db2.gz HNAZBEFZPXKAJM-UHFFFAOYSA-N 0 3 250.430 3.930 20 30 CHEDHN CC(C)(C)O[C@@H]1C[C@H](NCC#Cc2ccccc2)C1(C)C ZINC001182297832 1122131458 /nfs/dbraw/zinc/13/14/58/1122131458.db2.gz GYWLXBUXSSPZNA-DLBZAZTESA-N 0 3 285.431 3.610 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCNc3ccccc32)cc1 ZINC000774130187 1122131754 /nfs/dbraw/zinc/13/17/54/1122131754.db2.gz KEWLWFGSKVMAIE-SFHVURJKSA-N 0 3 277.371 3.595 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)NCc1csc(C)n1 ZINC000414534770 1122141681 /nfs/dbraw/zinc/14/16/81/1122141681.db2.gz KMNFREGHLSVYBU-HNNXBMFYSA-N 0 3 272.417 3.729 20 30 CHEDHN C=CCCN(Cc1cccn1C)Cc1ccccc1 ZINC001203264454 1122153312 /nfs/dbraw/zinc/15/33/12/1122153312.db2.gz UEBYROFNKLGXAY-UHFFFAOYSA-N 0 3 254.377 3.603 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCC#Cc1ccccc1 ZINC001182433510 1122155564 /nfs/dbraw/zinc/15/55/64/1122155564.db2.gz JJTXWCJPXJTHOK-FQEVSTJZSA-N 0 3 286.378 3.577 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000035045328 1122157051 /nfs/dbraw/zinc/15/70/51/1122157051.db2.gz HHHKNAKZYYBQLZ-INIZCTEOSA-N 0 3 280.396 3.885 20 30 CHEDHN Cc1cc(OCCC[C@@H](C)NC[C@H](C)C#N)ccc1Cl ZINC000515389580 1122495120 /nfs/dbraw/zinc/49/51/20/1122495120.db2.gz IQHCWCIRWWTNQS-TZMCWYRMSA-N 0 3 294.826 3.945 20 30 CHEDHN Cc1cccc([C@@H](C)NCc2cccc(OCC#N)c2)c1 ZINC000157175419 1122526334 /nfs/dbraw/zinc/52/63/34/1122526334.db2.gz JLPFCSGYZAJIHV-OAHLLOKOSA-N 0 3 280.371 3.748 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc([O-])c(F)c1 ZINC000775395792 1122541841 /nfs/dbraw/zinc/54/18/41/1122541841.db2.gz UQYXUBSZMAWFEN-KRWDZBQOSA-N 0 3 296.345 3.570 20 30 CHEDHN C=C1CCN(C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC001190848017 1122557305 /nfs/dbraw/zinc/55/73/05/1122557305.db2.gz SYNMQRVQCXUHDL-QZTJIDSGSA-N 0 3 271.404 3.949 20 30 CHEDHN CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(C)ccn1 ZINC000601283322 1122606423 /nfs/dbraw/zinc/60/64/23/1122606423.db2.gz WDVPAWMHMFDJJB-ZNMIVQPWSA-N 0 3 257.381 3.513 20 30 CHEDHN C=CCOc1cccc(CN2CCC[C@@H]2c2cccn2C)c1 ZINC000506016034 1122626231 /nfs/dbraw/zinc/62/62/31/1122626231.db2.gz CDPYIBBURGOVNW-LJQANCHMSA-N 0 3 296.414 3.927 20 30 CHEDHN CC(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000437400670 1122632886 /nfs/dbraw/zinc/63/28/86/1122632886.db2.gz OHCMRBBTRCAGIL-AWEZNQCLSA-N 0 3 294.345 3.780 20 30 CHEDHN CC1(C)CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000437575311 1122641293 /nfs/dbraw/zinc/64/12/93/1122641293.db2.gz CVIVWZJYIFCVAS-UHFFFAOYSA-N 0 3 297.320 3.669 20 30 CHEDHN N#CCC1CCN(Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138687230 1129071275 /nfs/dbraw/zinc/07/12/75/1129071275.db2.gz ABSYQOGFUAMZMS-UHFFFAOYSA-N 0 3 287.794 3.947 20 30 CHEDHN Cc1cccc([C@@H]2CCN(Cc3ccccc3C#N)C2)c1 ZINC000543247170 1122750556 /nfs/dbraw/zinc/75/05/56/1122750556.db2.gz UUKPWHMBTVALHH-LJQANCHMSA-N 0 3 276.383 3.856 20 30 CHEDHN CCCCCCCCOC(=O)N[C@@]1(C)CCCN(C)C1 ZINC001194753118 1122795702 /nfs/dbraw/zinc/79/57/02/1122795702.db2.gz CEKISPJPCKFPIH-INIZCTEOSA-N 0 3 284.444 3.557 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2cc(C)ccc2OC(F)F)C1 ZINC001195462843 1122870207 /nfs/dbraw/zinc/87/02/07/1122870207.db2.gz FGQKTLNYRYDGTO-AWEZNQCLSA-N 0 3 293.357 3.832 20 30 CHEDHN Cc1csc(C(C#N)=C([O-])c2cccc3c2CCCC3)n1 ZINC000519583285 1122910765 /nfs/dbraw/zinc/91/07/65/1122910765.db2.gz LDXQZWAXXVHUMR-OAHLLOKOSA-N 0 3 296.395 3.820 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2cccc3c2CCCC3)n1 ZINC000519583285 1122910770 /nfs/dbraw/zinc/91/07/70/1122910770.db2.gz LDXQZWAXXVHUMR-OAHLLOKOSA-N 0 3 296.395 3.820 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cc(Br)cs2)C1 ZINC001196440742 1122921287 /nfs/dbraw/zinc/92/12/87/1122921287.db2.gz GWTFLTYKZTZVOT-JTQLQIEISA-N 0 3 286.238 3.909 20 30 CHEDHN CC(C)CN(Cc1ccco1)Cc1ccc(C#N)cc1 ZINC000507192752 1122937231 /nfs/dbraw/zinc/93/72/31/1122937231.db2.gz MLRQJJVYYOZUAN-UHFFFAOYSA-N 0 3 268.360 3.809 20 30 CHEDHN C#CCN(C[C@H]1CCC(C)(C)O1)[C@@H]1CCCc2ccccc21 ZINC001198105349 1122981996 /nfs/dbraw/zinc/98/19/96/1122981996.db2.gz WXFVQIATIUEWNL-IEBWSBKVSA-N 0 3 297.442 3.957 20 30 CHEDHN CC(C)CN(CCC#N)C[C@H](C)Cc1ccccc1 ZINC000775898538 1123013969 /nfs/dbraw/zinc/01/39/69/1123013969.db2.gz YHCNVAJDVYOERF-MRXNPFEDSA-N 0 3 258.409 3.737 20 30 CHEDHN N#CC1(CN2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000775976670 1123031108 /nfs/dbraw/zinc/03/11/08/1123031108.db2.gz WALMLDDXLUWBLS-ROUUACIJSA-N 0 3 298.430 3.658 20 30 CHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CCC1CC1 ZINC000441227269 1123069993 /nfs/dbraw/zinc/06/99/93/1123069993.db2.gz PMCWBTAKFYNXLR-UHFFFAOYSA-N 0 3 281.321 3.789 20 30 CHEDHN CN(C)/C=N/c1ccc(NCCC(C)(C)C)cc1C#N ZINC001161676140 1123087056 /nfs/dbraw/zinc/08/70/56/1123087056.db2.gz QCYQQVRBSSBRMM-XDHOZWIPSA-N 0 3 272.396 3.628 20 30 CHEDHN C#CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000776168246 1123100992 /nfs/dbraw/zinc/10/09/92/1123100992.db2.gz ANXOGLNCCBSFOD-BEFAXECRSA-N 0 3 274.367 3.973 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280803926 1123126364 /nfs/dbraw/zinc/12/63/64/1123126364.db2.gz LCWYMSDLSMPKHE-ZVZYQTTQSA-N 0 3 289.419 3.723 20 30 CHEDHN N#Cc1ccc(CNCc2ccc3[nH]ccc3c2)cc1Cl ZINC001202143262 1123178213 /nfs/dbraw/zinc/17/82/13/1123178213.db2.gz UBBTZFSXYLISDU-UHFFFAOYSA-N 0 3 295.773 3.983 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1csc(C(C)C)n1 ZINC000280824015 1123181800 /nfs/dbraw/zinc/18/18/00/1123181800.db2.gz NSYVOEFKTCVQFV-GUTXKFCHSA-N 0 3 294.464 3.898 20 30 CHEDHN C[C@@H](NCc1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000346052185 1123232791 /nfs/dbraw/zinc/23/27/91/1123232791.db2.gz UPBLKMYKJFJMHE-LLVKDONJSA-N 0 3 272.298 3.687 20 30 CHEDHN N#Cc1csc(CNC2CCC3(CCCC3)CC2)n1 ZINC000850358618 1123256297 /nfs/dbraw/zinc/25/62/97/1123256297.db2.gz SODQINCEBCCWQS-UHFFFAOYSA-N 0 3 275.421 3.607 20 30 CHEDHN Cc1ccc(O)c([C@H](C)NCC2(C#N)CCCCC2)c1 ZINC000850549011 1123288885 /nfs/dbraw/zinc/28/88/85/1123288885.db2.gz CJABHAHZOOCNAI-AWEZNQCLSA-N 0 3 272.392 3.825 20 30 CHEDHN C=CCN(Cc1cccc(Br)c1)C1CC1 ZINC000521480263 1123331727 /nfs/dbraw/zinc/33/17/27/1123331727.db2.gz RHYTYNYKLTYQFN-UHFFFAOYSA-N 0 3 266.182 3.600 20 30 CHEDHN C#C[C@](C)(CC)NCc1ccccc1Oc1cccnc1 ZINC000852102986 1123396568 /nfs/dbraw/zinc/39/65/68/1123396568.db2.gz VGZUJILVNNSDLD-GOSISDBHSA-N 0 3 280.371 3.765 20 30 CHEDHN C=CCN(Cc1cccc(Br)n1)C(C)(C)C ZINC000852554480 1123408770 /nfs/dbraw/zinc/40/87/70/1123408770.db2.gz OBORAFWKCIGNLM-UHFFFAOYSA-N 0 3 283.213 3.631 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1ccc(F)cc1Cl ZINC000852686940 1123413108 /nfs/dbraw/zinc/41/31/08/1123413108.db2.gz CDOMODPDBUFOBK-ZENOOKHLSA-N 0 3 295.785 3.696 20 30 CHEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc2c(c1)CCCO2 ZINC000853094805 1123424096 /nfs/dbraw/zinc/42/40/96/1123424096.db2.gz ODOMAVFROQDJIM-LBPRGKRZSA-N 0 3 298.411 3.796 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1ccc(-c2ccsc2)n1 ZINC000853597599 1123443638 /nfs/dbraw/zinc/44/36/38/1123443638.db2.gz CDXAOYSAHOORMB-GASCZTMLSA-N 0 3 285.416 3.752 20 30 CHEDHN C[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H](C)C1 ZINC000443659173 1123465453 /nfs/dbraw/zinc/46/54/53/1123465453.db2.gz SYPNIEQYNQTCPY-STQMWFEESA-N 0 3 260.356 3.565 20 30 CHEDHN C#CCCOc1ccc(CNCc2ccc(C)cc2)cc1 ZINC000113313254 1123518359 /nfs/dbraw/zinc/51/83/59/1123518359.db2.gz XMRFOPHRHAJCFA-UHFFFAOYSA-N 0 3 279.383 3.687 20 30 CHEDHN C#CCOc1ccc(CNCc2ccc(CC)s2)cc1 ZINC000113322025 1123521886 /nfs/dbraw/zinc/52/18/86/1123521886.db2.gz LZOUBLUVKXTZDE-UHFFFAOYSA-N 0 3 285.412 3.612 20 30 CHEDHN C#CCOc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000113329850 1123522047 /nfs/dbraw/zinc/52/20/47/1123522047.db2.gz ODTVRDREQUNBQN-LJQANCHMSA-N 0 3 295.357 3.615 20 30 CHEDHN C=C(Br)CN1CCC[C@@H]1C1CCCCC1 ZINC000688839384 1129127989 /nfs/dbraw/zinc/12/79/89/1129127989.db2.gz ZEQANRXTWMWIFW-CYBMUJFWSA-N 0 3 272.230 3.940 20 30 CHEDHN CC[C@H]1c2ccsc2CCN1CCC(C)(C)C#N ZINC000157674893 1129132386 /nfs/dbraw/zinc/13/23/86/1129132386.db2.gz HAAKOIZXCCVNTN-ZDUSSCGKSA-N 0 3 262.422 3.997 20 30 CHEDHN C=C1CCN(Cc2cc(C)c3ncccc3c2)CC1 ZINC000346215508 1123671556 /nfs/dbraw/zinc/67/15/56/1123671556.db2.gz QCAJRKBIWCYXON-UHFFFAOYSA-N 0 3 252.361 3.695 20 30 CHEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)C(F)(F)F ZINC000860482184 1123734858 /nfs/dbraw/zinc/73/48/58/1123734858.db2.gz AIMWJKKFEMLQJR-BDAKNGLRSA-N 0 3 296.248 3.593 20 30 CHEDHN C[C@@H](NCc1cccc(F)c1C#N)[C@@H](C)c1ccccc1 ZINC000428343367 1123895728 /nfs/dbraw/zinc/89/57/28/1123895728.db2.gz BGYSGWNIYWBEQE-ZIAGYGMSSA-N 0 3 282.362 3.979 20 30 CHEDHN CCOc1cc(F)cc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000865408623 1123981093 /nfs/dbraw/zinc/98/10/93/1123981093.db2.gz ABGJGJDRXHKZTN-ZDUSSCGKSA-N 0 3 298.361 3.947 20 30 CHEDHN CN(CCCCC#N)Cc1cc(Cl)ccc1F ZINC000444696849 1124054918 /nfs/dbraw/zinc/05/49/18/1124054918.db2.gz WSOLSAONUXPQSR-UHFFFAOYSA-N 0 3 254.736 3.605 20 30 CHEDHN C=CCN(C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000428393364 1124076130 /nfs/dbraw/zinc/07/61/30/1124076130.db2.gz XYNBKYLJLZGCMM-UHFFFAOYSA-N 0 3 263.690 3.977 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OC(F)F)cc2F)C1 ZINC000866541735 1124080594 /nfs/dbraw/zinc/08/05/94/1124080594.db2.gz RUOWCUSEXZGAPX-PWSUYJOCSA-N 0 3 298.308 3.599 20 30 CHEDHN CC(C)[C@@H](CC(F)(F)F)NCc1cc(C#N)ccc1F ZINC000445877707 1124104757 /nfs/dbraw/zinc/10/47/57/1124104757.db2.gz DBFZZKREFYVQOB-CYBMUJFWSA-N 0 3 288.288 3.764 20 30 CHEDHN C[C@H]1CCC[C@@H](N(C)Cc2cccc(F)c2C#N)C1 ZINC000428445627 1124114960 /nfs/dbraw/zinc/11/49/60/1124114960.db2.gz HAUKSQQYJNHODJ-GXTWGEPZSA-N 0 3 260.356 3.708 20 30 CHEDHN CC1CCC(N(C)Cc2cccc(F)c2C#N)CC1 ZINC000428469561 1124133075 /nfs/dbraw/zinc/13/30/75/1124133075.db2.gz VQKVRGOQNMUJDG-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@@H](C(F)(F)F)C1 ZINC001119691255 1131261571 /nfs/dbraw/zinc/26/15/71/1131261571.db2.gz HKXYWHMMDFQEPQ-CYBMUJFWSA-N 0 3 282.309 3.559 20 30 CHEDHN C=CCNN=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000795003585 1124464411 /nfs/dbraw/zinc/46/44/11/1124464411.db2.gz LOASMDZWCSFIPC-UHFFFAOYSA-N 0 3 271.408 3.567 20 30 CHEDHN C=C[C@](C)(CC)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000525955074 1124481718 /nfs/dbraw/zinc/48/17/18/1124481718.db2.gz HYGIVKHZSGDTDT-QGZVFWFLSA-N 0 3 285.391 3.652 20 30 CHEDHN CCCCCn1cc(CN[C@H]2CCC[C@H](C#N)C2)c(C)n1 ZINC000447589317 1124493736 /nfs/dbraw/zinc/49/37/36/1124493736.db2.gz XMORZFFEJIGKQV-RDJZCZTQSA-N 0 3 288.439 3.554 20 30 CHEDHN C[C@H](c1ccccc1)N(C)CC#Cc1ccc(F)cc1 ZINC000448447283 1124582267 /nfs/dbraw/zinc/58/22/67/1124582267.db2.gz NMFISSUBBXXRFH-OAHLLOKOSA-N 0 3 267.347 3.870 20 30 CHEDHN CC1(C#N)CCC(NCc2nc(C3CC3)cs2)CC1 ZINC000449196206 1124665038 /nfs/dbraw/zinc/66/50/38/1124665038.db2.gz WWLZIAKAWDEVAD-UHFFFAOYSA-N 0 3 275.421 3.583 20 30 CHEDHN C#C[C@H]1CC[C@H](N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000872139235 1124694520 /nfs/dbraw/zinc/69/45/20/1124694520.db2.gz AIIGDOHTPJXHHF-YVWKXTFCSA-N 0 3 290.410 3.953 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CCCc3c(F)cccc32)c1 ZINC000449353244 1124707695 /nfs/dbraw/zinc/70/76/95/1124707695.db2.gz ZGROAKWWNXRZFY-GOSISDBHSA-N 0 3 280.346 3.865 20 30 CHEDHN CN(Cc1c(O)ccc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000872680450 1124725782 /nfs/dbraw/zinc/72/57/82/1124725782.db2.gz HQIBOAOEEHSXDC-RHSMWYFYSA-N 0 3 280.371 3.669 20 30 CHEDHN CC1(NCc2cccc(OCCCC#N)c2)CC(F)(F)C1 ZINC000873197748 1124750946 /nfs/dbraw/zinc/75/09/46/1124750946.db2.gz ADHNFKGAGDIDSP-UHFFFAOYSA-N 0 3 294.345 3.647 20 30 CHEDHN CCC[C@H](CC)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000873498359 1124773190 /nfs/dbraw/zinc/77/31/90/1124773190.db2.gz AAAFGARUPJFFHC-RYUDHWBXSA-N 0 3 270.332 3.830 20 30 CHEDHN N#Cc1ccc(/C=C/c2cc(N3CCCC3)ccn2)cc1 ZINC001239282150 1131310538 /nfs/dbraw/zinc/31/05/38/1131310538.db2.gz HHVFKMJTBLVMIM-BQYQJAHWSA-N 0 3 275.355 3.724 20 30 CHEDHN CC1=C(C)C[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123382263 1131313318 /nfs/dbraw/zinc/31/33/18/1131313318.db2.gz QTAWMWPNEBONET-WCQYABFASA-N 0 3 290.313 3.673 20 30 CHEDHN CCC[C@H](CC(C)C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123381198 1131313662 /nfs/dbraw/zinc/31/36/62/1131313662.db2.gz HELOHXOCLIGSFF-DGCLKSJQSA-N 0 3 294.345 3.998 20 30 CHEDHN C#CCCCCCCN[C@@H](C)c1nc(C)cs1 ZINC000877002943 1124997076 /nfs/dbraw/zinc/99/70/76/1124997076.db2.gz GXRCMFOOAAQDJF-ZDUSSCGKSA-N 0 3 250.411 3.686 20 30 CHEDHN N#CC1(CN2CCC[C@H]2CCc2ccccc2)CCC1 ZINC000450267329 1124964385 /nfs/dbraw/zinc/96/43/85/1124964385.db2.gz AMWUZZHHEHBRGK-KRWDZBQOSA-N 0 3 268.404 3.777 20 30 CHEDHN C#CCCCCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000876763897 1124976646 /nfs/dbraw/zinc/97/66/46/1124976646.db2.gz QTABKLBNNDVIRJ-UHFFFAOYSA-N 0 3 281.403 3.546 20 30 CHEDHN CC(C)Oc1ccc2nccc(NCCCCC#N)c2c1 ZINC000450311307 1124977494 /nfs/dbraw/zinc/97/74/94/1124977494.db2.gz CWVCDFMAZUUJRI-UHFFFAOYSA-N 0 3 283.375 3.550 20 30 CHEDHN N#Cc1cnc(Cl)c(CNC2CC(c3ccccc3)C2)c1 ZINC000877024363 1124999775 /nfs/dbraw/zinc/99/97/75/1124999775.db2.gz BLKNSRPVGPKILT-UHFFFAOYSA-N 0 3 297.789 3.642 20 30 CHEDHN CCN(CC1(C#N)CCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000450394689 1125005124 /nfs/dbraw/zinc/00/51/24/1125005124.db2.gz PZRYRSSFPNHVES-HNNXBMFYSA-N 0 3 286.419 3.642 20 30 CHEDHN CCN(CC1(C#N)CCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000450394690 1125005178 /nfs/dbraw/zinc/00/51/78/1125005178.db2.gz PZRYRSSFPNHVES-OAHLLOKOSA-N 0 3 286.419 3.642 20 30 CHEDHN C#CCCCCCCN[C@H](C)c1ncc(C)s1 ZINC000877081933 1125007079 /nfs/dbraw/zinc/00/70/79/1125007079.db2.gz UMNHXYVYKLXYLJ-CYBMUJFWSA-N 0 3 250.411 3.686 20 30 CHEDHN C=CCCCCCCCNCc1ccc(Cl)nn1 ZINC000877540117 1125041066 /nfs/dbraw/zinc/04/10/66/1125041066.db2.gz SMJGECBALJRXAO-UHFFFAOYSA-N 0 3 267.804 3.746 20 30 CHEDHN CC(C)Oc1ccc2nccc(NCC3(CC#N)CC3)c2c1 ZINC000450499953 1125049420 /nfs/dbraw/zinc/04/94/20/1125049420.db2.gz KHISDKMMTYXDDJ-UHFFFAOYSA-N 0 3 295.386 3.550 20 30 CHEDHN CCC(C)(C)[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877623580 1125056565 /nfs/dbraw/zinc/05/65/65/1125056565.db2.gz UEVVZWIBNDYNPN-JTQLQIEISA-N 0 3 265.788 3.521 20 30 CHEDHN C#CCCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877756450 1125072437 /nfs/dbraw/zinc/07/24/37/1125072437.db2.gz JCYJRAHBTYGUJC-OAHLLOKOSA-N 0 3 295.382 3.645 20 30 CHEDHN C=C1CCN(C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878086785 1125118635 /nfs/dbraw/zinc/11/86/35/1125118635.db2.gz BMYGGEHDHDKJSV-DLBZAZTESA-N 0 3 257.377 3.559 20 30 CHEDHN C[C@@H](NC[C@H]1CCC(C)(C)CO1)c1ccc(C#N)cc1F ZINC000878406654 1125149997 /nfs/dbraw/zinc/14/99/97/1125149997.db2.gz AEKISFLXHNOHCP-TZMCWYRMSA-N 0 3 290.382 3.553 20 30 CHEDHN C=CC[C@@H](C)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000878513640 1125157799 /nfs/dbraw/zinc/15/77/99/1125157799.db2.gz FMIUPGFXXXMRTG-CYBMUJFWSA-N 0 3 279.811 3.588 20 30 CHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](C)C[C@H]1C)c1ccccc1 ZINC000878728028 1125176817 /nfs/dbraw/zinc/17/68/17/1125176817.db2.gz IHKSGQVUCZTBMN-MDZRGWNJSA-N 0 3 298.430 3.547 20 30 CHEDHN Cc1ccccc1SC[C@@H](C)CN[C@@H](C)CC#N ZINC000878819682 1125180871 /nfs/dbraw/zinc/18/08/71/1125180871.db2.gz AOMPMJZXLKWXED-JSGCOSHPSA-N 0 3 262.422 3.615 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878886707 1125183783 /nfs/dbraw/zinc/18/37/83/1125183783.db2.gz NYAHCIMGYSUGGC-JQHSSLGASA-N 0 3 284.403 3.532 20 30 CHEDHN CC(C)(NCCCCC#N)c1nc2cc(Cl)ccc2o1 ZINC000879158595 1125200113 /nfs/dbraw/zinc/20/01/13/1125200113.db2.gz KZAWAQLTHPSGGD-UHFFFAOYSA-N 0 3 291.782 4.000 20 30 CHEDHN C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccccc1[O-] ZINC000879650195 1125223781 /nfs/dbraw/zinc/22/37/81/1125223781.db2.gz OFABTRVIFLRQCN-AWEZNQCLSA-N 0 3 272.392 3.907 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000751 1125243779 /nfs/dbraw/zinc/24/37/79/1125243779.db2.gz KGLFGAVMPURHQQ-SMDDNHRTSA-N 0 3 282.309 3.894 20 30 CHEDHN Cn1cc(CN[C@@H](c2cccc(F)c2)C(C)(C)C)cc1C#N ZINC000191292066 1125357140 /nfs/dbraw/zinc/35/71/40/1125357140.db2.gz YLALUNDZSJYVEA-KRWDZBQOSA-N 0 3 299.393 3.913 20 30 CHEDHN C#Cc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000883132401 1125372868 /nfs/dbraw/zinc/37/28/68/1125372868.db2.gz PXEIVEZHFNOAFC-UHFFFAOYSA-N 0 3 288.394 3.759 20 30 CHEDHN C=CCC[C@H](NCC1(C#N)CCCCC1)[C@@H]1CCCO1 ZINC000883236287 1125382299 /nfs/dbraw/zinc/38/22/99/1125382299.db2.gz YBMYUFJIZFFPBQ-HOTGVXAUSA-N 0 3 276.424 3.564 20 30 CHEDHN C=CCCC[C@H](NCc1c(C)cnn1C)c1ccccc1 ZINC000883325264 1125396831 /nfs/dbraw/zinc/39/68/31/1125396831.db2.gz VEZXHQIEHKHKBZ-KRWDZBQOSA-N 0 3 283.419 3.916 20 30 CHEDHN CC(C)(CCC#N)CN[C@H]1c2ccccc2CC[C@@H]1F ZINC000883382766 1125406812 /nfs/dbraw/zinc/40/68/12/1125406812.db2.gz MUSXWJSNDBCMNL-HOTGVXAUSA-N 0 3 274.383 3.932 20 30 CHEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000883393213 1125409177 /nfs/dbraw/zinc/40/91/77/1125409177.db2.gz YDXHNHTXBXNNOP-MAUKXSAKSA-N 0 3 296.414 3.726 20 30 CHEDHN CC1(C)Nc2ccccc2[C@H]1NCc1ccc(C#N)cc1 ZINC000883464417 1125411532 /nfs/dbraw/zinc/41/15/32/1125411532.db2.gz MXFBCYJTWJUWEN-QGZVFWFLSA-N 0 3 277.371 3.593 20 30 CHEDHN C=CCCCCCC[C@H](O)CN1CCc2sccc2C1 ZINC001253235141 1125416266 /nfs/dbraw/zinc/41/62/66/1125416266.db2.gz HWFOGAOMIRUFID-INIZCTEOSA-N 0 3 293.476 3.994 20 30 CHEDHN C=CCN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000532625602 1125429754 /nfs/dbraw/zinc/42/97/54/1125429754.db2.gz KKKUFUKWDZINAE-GFCCVEGCSA-N 0 3 258.390 3.662 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000037748493 1129264148 /nfs/dbraw/zinc/26/41/48/1129264148.db2.gz KKVKKZIABNUFJL-GOSISDBHSA-N 0 3 280.346 3.938 20 30 CHEDHN C=CCN(CCc1ccco1)C[C@H]1CCCC2(CCC2)O1 ZINC001307620445 1129277804 /nfs/dbraw/zinc/27/78/04/1129277804.db2.gz GXKVNFDVUYJHCX-QGZVFWFLSA-N 0 3 289.419 3.802 20 30 CHEDHN C#CCOc1ccccc1CNCc1cccc(C)c1C ZINC000734159121 1129297029 /nfs/dbraw/zinc/29/70/29/1129297029.db2.gz GXXIVHCAQLTKBC-UHFFFAOYSA-N 0 3 279.383 3.605 20 30 CHEDHN C=CC[C@H](NCc1cccc2cc[nH]c21)c1ccncc1 ZINC000734508672 1129310351 /nfs/dbraw/zinc/31/03/51/1129310351.db2.gz BLLCLOXZORHAAV-KRWDZBQOSA-N 0 3 277.371 3.970 20 30 CHEDHN CC[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735309409 1129340652 /nfs/dbraw/zinc/34/06/52/1129340652.db2.gz NCPSMOIRSLPTTO-AWEZNQCLSA-N 0 3 278.783 3.617 20 30 CHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC3=CCCCC3)nc21 ZINC000735791607 1129358205 /nfs/dbraw/zinc/35/82/05/1129358205.db2.gz ABAYBCOFQOEXDI-CQSZACIVSA-N 0 3 293.370 3.938 20 30 CHEDHN COc1cc(C#N)c(F)cc1Nc1ccc2nc(C)[nH]c2c1 ZINC001213076615 1129382164 /nfs/dbraw/zinc/38/21/64/1129382164.db2.gz VLWOLGMQLIJUQI-UHFFFAOYSA-N 0 3 296.305 3.634 20 30 CHEDHN CCCCCCCCC/C=C\C(=O)N1CCCN(C)CC1 ZINC000737766363 1129388142 /nfs/dbraw/zinc/38/81/42/1129388142.db2.gz GKEWSAQCRBMPLV-QBFSEMIESA-N 0 3 294.483 3.847 20 30 CHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc(F)cc1 ZINC000742368268 1129472376 /nfs/dbraw/zinc/47/23/76/1129472376.db2.gz BODYBGXEBUFVDH-KRWDZBQOSA-N 0 3 298.361 3.947 20 30 CHEDHN C=C(Br)CN1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000743854333 1129539981 /nfs/dbraw/zinc/53/99/81/1129539981.db2.gz UHFDEICOENITMP-UTUOFQBUSA-N 0 3 258.203 3.548 20 30 CHEDHN C=CCC[C@H](C)N[C@H](CO)c1ccc(Cl)cc1Cl ZINC001258719839 1129547533 /nfs/dbraw/zinc/54/75/33/1129547533.db2.gz KWLOZFULYSSZRT-IINYFYTJSA-N 0 3 288.218 3.971 20 30 CHEDHN C=CCC[C@@H](C)NCC(=O)c1ccc(C(F)(F)F)cc1 ZINC001258720278 1129548958 /nfs/dbraw/zinc/54/89/58/1129548958.db2.gz WWFYSDHKCXGTNH-LLVKDONJSA-N 0 3 285.309 3.832 20 30 CHEDHN CC#CCN[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC001168801853 1129673095 /nfs/dbraw/zinc/67/30/95/1129673095.db2.gz UVCQZXIYEQGZPX-LJQANCHMSA-N 0 3 297.373 3.731 20 30 CHEDHN CC(C)C[C@@H](Cc1ccccc1)NCC1(C#N)CC1 ZINC001169061974 1129694353 /nfs/dbraw/zinc/69/43/53/1129694353.db2.gz PLURZWHVPVHMHD-INIZCTEOSA-N 0 3 256.393 3.537 20 30 CHEDHN CCCCCCCCCN1CCNC(=O)[C@@]1(C)CCC ZINC001169407403 1129724398 /nfs/dbraw/zinc/72/43/98/1129724398.db2.gz FMBQLIDOHJHXLV-QGZVFWFLSA-N 0 3 282.472 3.728 20 30 CHEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2c(F)cncc2F)C1 ZINC000651806600 1129748438 /nfs/dbraw/zinc/74/84/38/1129748438.db2.gz QBKXQYJRYYTGTC-UTUOFQBUSA-N 0 3 266.335 3.755 20 30 CHEDHN C#C[C@](C)(CC)Nc1cccc(CN(CC)CC)c1F ZINC001169700295 1129748547 /nfs/dbraw/zinc/74/85/47/1129748547.db2.gz MENHELMAFVNETO-QGZVFWFLSA-N 0 3 276.399 3.881 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CCC(F)(F)CC1 ZINC000796552565 1129777931 /nfs/dbraw/zinc/77/79/31/1129777931.db2.gz SNMQPQOMIIIXPQ-UHFFFAOYSA-N 0 3 278.346 3.719 20 30 CHEDHN C=CCCN(C)Cc1ccc(OCc2ccccc2)nc1 ZINC000653636196 1129789491 /nfs/dbraw/zinc/78/94/91/1129789491.db2.gz VSEAXGJWDVYGLQ-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN C#CCCOc1ccc(CN(C)Cc2ccc(F)cc2)cc1 ZINC000768174775 1129838739 /nfs/dbraw/zinc/83/87/39/1129838739.db2.gz NBIFCBKPWPSGIK-UHFFFAOYSA-N 0 3 297.373 3.860 20 30 CHEDHN C#C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)C(C)C ZINC000381666562 1129843565 /nfs/dbraw/zinc/84/35/65/1129843565.db2.gz JTCKTTXSNHIEOY-ZDUSSCGKSA-N 0 3 273.273 3.592 20 30 CHEDHN C[C@H]1CCC[C@@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000768354309 1129853672 /nfs/dbraw/zinc/85/36/72/1129853672.db2.gz HKDHACNGVAJDSD-UONOGXRCSA-N 0 3 268.364 3.605 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2c(c1)COC2 ZINC000768551755 1129862568 /nfs/dbraw/zinc/86/25/68/1129862568.db2.gz TUFKXKLUKWHECZ-UHFFFAOYSA-N 0 3 279.383 3.905 20 30 CHEDHN C=CCN(Cc1cc(OC)c(OC)cc1SC)C(C)C ZINC000768548275 1129863528 /nfs/dbraw/zinc/86/35/28/1129863528.db2.gz ZYILWSXUJBLDJK-UHFFFAOYSA-N 0 3 295.448 3.822 20 30 CHEDHN C=CC[N@H+](Cc1ccccc1)Cc1ccc(OCC)cc1[O-] ZINC000768550320 1129864977 /nfs/dbraw/zinc/86/49/77/1129864977.db2.gz LEOGRBTTZGKFQB-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC)cc1[O-] ZINC000768550320 1129864981 /nfs/dbraw/zinc/86/49/81/1129864981.db2.gz LEOGRBTTZGKFQB-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C#CCN(CC)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000769111558 1129891485 /nfs/dbraw/zinc/89/14/85/1129891485.db2.gz RPYZBAGHWQVLTB-UHFFFAOYSA-N 0 3 280.371 3.637 20 30 CHEDHN C=CC[N@@H+](CCc1ccccc1)Cc1c([O-])cccc1OC ZINC000769111910 1129891750 /nfs/dbraw/zinc/89/17/50/1129891750.db2.gz SJSOPDZDYNUMGX-UHFFFAOYSA-N 0 3 297.398 3.632 20 30 CHEDHN C=CC[N@H+](CCc1ccccc1)Cc1c([O-])cccc1OC ZINC000769111910 1129891752 /nfs/dbraw/zinc/89/17/52/1129891752.db2.gz SJSOPDZDYNUMGX-UHFFFAOYSA-N 0 3 297.398 3.632 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc(F)nc1 ZINC001137741201 1131410910 /nfs/dbraw/zinc/41/09/10/1131410910.db2.gz QPOPMWJDDURHDC-UHFFFAOYSA-N 0 3 270.351 3.799 20 30 CHEDHN C#CCCOc1ccc(CN(C)Cc2ccccc2)cc1 ZINC000771929293 1129994961 /nfs/dbraw/zinc/99/49/61/1129994961.db2.gz WJAQDXQJPNLEFK-UHFFFAOYSA-N 0 3 279.383 3.721 20 30 CHEDHN CNc1ccccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000902618781 1130030447 /nfs/dbraw/zinc/03/04/47/1130030447.db2.gz ILYYCAPPTWLDRW-UHFFFAOYSA-N 0 3 291.398 3.769 20 30 CHEDHN C#CCCOc1ccc(CNCc2cscc2C)cc1 ZINC000785521387 1130038473 /nfs/dbraw/zinc/03/84/73/1130038473.db2.gz JYZUZEGKDFJYHR-UHFFFAOYSA-N 0 3 285.412 3.748 20 30 CHEDHN CC[C@H](NCc1ccc(OC)cc1)c1cccc(C#N)c1 ZINC000902720243 1130044040 /nfs/dbraw/zinc/04/40/40/1130044040.db2.gz CXEVVWLOUAYVJB-SFHVURJKSA-N 0 3 280.371 3.808 20 30 CHEDHN C=CCC[C@@H](NCc1ncccc1F)[C@]1(C)CCCCO1 ZINC000902885425 1130078878 /nfs/dbraw/zinc/07/88/78/1130078878.db2.gz ADQBTCVAVPNKOG-SJORKVTESA-N 0 3 292.398 3.604 20 30 CHEDHN CSC1(C(=O)C(C#N)c2nc(C(C)C)cs2)CCC1 ZINC000786442141 1130093790 /nfs/dbraw/zinc/09/37/90/1130093790.db2.gz KHRBYHISEPGNAT-JTQLQIEISA-N 0 3 294.445 3.728 20 30 CHEDHN CC[C@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000903054339 1130106226 /nfs/dbraw/zinc/10/62/26/1130106226.db2.gz WXMUKIOAKIBGMC-RBUKOAKNSA-N 0 3 292.382 3.992 20 30 CHEDHN C=CCC[C@@H](NCc1cncn1C)c1cccc(Cl)c1 ZINC000903173106 1130124198 /nfs/dbraw/zinc/12/41/98/1130124198.db2.gz WVUHDMOQJZMKMB-MRXNPFEDSA-N 0 3 289.810 3.871 20 30 CHEDHN C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000787028191 1130125974 /nfs/dbraw/zinc/12/59/74/1130125974.db2.gz CAYAGENUPOTRDF-YVEFUNNKSA-N 0 3 278.355 3.602 20 30 CHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000787029974 1130126598 /nfs/dbraw/zinc/12/65/98/1130126598.db2.gz ZKXHKMDKDGLVNO-MEDUHNTESA-N 0 3 297.789 3.945 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H](c1ncccn1)C1CC1 ZINC000903325306 1130155064 /nfs/dbraw/zinc/15/50/64/1130155064.db2.gz TUIYTZQZUSFWTB-UKRRQHHQSA-N 0 3 259.397 3.652 20 30 CHEDHN CCCCCCCCCN(C)Cc1cncn1C ZINC000751468204 1130180121 /nfs/dbraw/zinc/18/01/21/1130180121.db2.gz FVDRUJIALUBQTF-UHFFFAOYSA-N 0 3 251.418 3.603 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001254638021 1130266027 /nfs/dbraw/zinc/26/60/27/1130266027.db2.gz VXTMWTOGNKFPMK-KOLCDFICSA-N 0 3 286.272 3.626 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccccc2N2CCCCC2)C1 ZINC000826862018 1130297719 /nfs/dbraw/zinc/29/77/19/1130297719.db2.gz RDAKLVQWWWFITR-KRWDZBQOSA-N 0 3 297.446 3.803 20 30 CHEDHN C=CCCCNCc1c(C)nn(CCCC)c1Cl ZINC000790483208 1130316067 /nfs/dbraw/zinc/31/60/67/1130316067.db2.gz DKLHZEKSKNVPIR-UHFFFAOYSA-N 0 3 269.820 3.701 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)c1ccccc1F ZINC000791566622 1130385328 /nfs/dbraw/zinc/38/53/28/1130385328.db2.gz BHVXZFIKNGKPKT-IBGZPJMESA-N 0 3 299.389 3.937 20 30 CHEDHN N#CC(C(=O)CCC1CC1)c1nccc2ccccc21 ZINC000792094659 1130431346 /nfs/dbraw/zinc/43/13/46/1130431346.db2.gz PDSYLAMIERRYHD-OAHLLOKOSA-N 0 3 264.328 3.601 20 30 CHEDHN N#CC(C(=O)C=Cc1ccco1)c1nccc2ccccc21 ZINC000792098887 1130431652 /nfs/dbraw/zinc/43/16/52/1130431652.db2.gz FONINPIOPRDPQI-KXPUMZMLSA-N 0 3 288.306 3.717 20 30 CHEDHN CCC#C[C@@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000678743054 1130448341 /nfs/dbraw/zinc/44/83/41/1130448341.db2.gz SAUNZTAOEVYAPW-VXGBXAGGSA-N 0 3 267.319 3.741 20 30 CHEDHN CCN(CC)Cc1cccc(NCC(C)(C)S)c1F ZINC001170308700 1130483531 /nfs/dbraw/zinc/48/35/31/1130483531.db2.gz DGSOTSZPCCAIPF-UHFFFAOYSA-N 0 3 284.444 3.788 20 30 CHEDHN CC[C@H](CC#N)NCC1(Cc2ccccc2C)CC1 ZINC001255160576 1130512528 /nfs/dbraw/zinc/51/25/28/1130512528.db2.gz LQAJZMRHBLGCCT-MRXNPFEDSA-N 0 3 256.393 3.600 20 30 CHEDHN C=CCN(Cc1ccc(O)cc1)Cc1ccc(OC)cc1 ZINC000679396025 1130527551 /nfs/dbraw/zinc/52/75/51/1130527551.db2.gz MRVRVFBJEZMKBA-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C=CCOCCN[C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000679576532 1130540637 /nfs/dbraw/zinc/54/06/37/1130540637.db2.gz OZKYHDJCVBSPRM-OAHLLOKOSA-N 0 3 295.810 3.654 20 30 CHEDHN C[C@H](Oc1cccc2c1CCN(C)C2)c1ccccc1C#N ZINC001234425813 1130643705 /nfs/dbraw/zinc/64/37/05/1130643705.db2.gz YPLVDZNZNPEJSZ-AWEZNQCLSA-N 0 3 292.382 3.686 20 30 CHEDHN C[C@H](Cc1ccco1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000781419608 1130716599 /nfs/dbraw/zinc/71/65/99/1130716599.db2.gz AIZWFMGZVVGKAH-NEPJUHHUSA-N 0 3 272.323 3.572 20 30 CHEDHN Cc1cc(Cl)cc(CN2CCC(S)CC2)c1 ZINC001235530863 1130749875 /nfs/dbraw/zinc/74/98/75/1130749875.db2.gz XTMUCYLSTNBVRN-UHFFFAOYSA-N 0 3 255.814 3.543 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc2c1CCN2 ZINC001235961402 1130819407 /nfs/dbraw/zinc/81/94/07/1130819407.db2.gz CIAWBMOCDWPHFB-UHFFFAOYSA-N 0 3 278.399 3.843 20 30 CHEDHN CC(=NOCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000814244540 1130847731 /nfs/dbraw/zinc/84/77/31/1130847731.db2.gz ZBOWYAHIHRFKJU-UHFFFAOYSA-N 0 3 272.392 3.828 20 30 CHEDHN CCC(=NN[C@@H](C)c1ccccc1)c1cccc(N)c1 ZINC000814814796 1130915492 /nfs/dbraw/zinc/91/54/92/1130915492.db2.gz AHTDXCJWHCAJOZ-ZDUSSCGKSA-N 0 3 267.376 3.734 20 30 CHEDHN COc1cc2ccccc2cc1CN1CCC[C@@H](C#N)CC1 ZINC001236675751 1130990979 /nfs/dbraw/zinc/99/09/79/1130990979.db2.gz LVBJOKFBRCFRAM-OAHLLOKOSA-N 0 3 294.398 3.974 20 30 CHEDHN Cc1cc(F)ccc1[C@@H](C)NCc1cccc(C#N)c1 ZINC000815558613 1131000000 /nfs/dbraw/zinc/00/00/00/1131000000.db2.gz IUXGNFUNQFCSEM-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN N#CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834627 1131019930 /nfs/dbraw/zinc/01/99/30/1131019930.db2.gz AOMWOYODPIGWHZ-CQSZACIVSA-N 0 3 280.371 3.671 20 30 CHEDHN N#CC[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834627 1131019936 /nfs/dbraw/zinc/01/99/36/1131019936.db2.gz AOMWOYODPIGWHZ-CQSZACIVSA-N 0 3 280.371 3.671 20 30 CHEDHN CC(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001237049709 1131041601 /nfs/dbraw/zinc/04/16/01/1131041601.db2.gz RWZBKKCXMYRNLC-FFGGFLGDSA-N 0 3 284.403 3.782 20 30 CHEDHN CC(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001237049709 1131041607 /nfs/dbraw/zinc/04/16/07/1131041607.db2.gz RWZBKKCXMYRNLC-FFGGFLGDSA-N 0 3 284.403 3.782 20 30 CHEDHN C=CCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000816470479 1131095335 /nfs/dbraw/zinc/09/53/35/1131095335.db2.gz NZOYILHYEISSMV-NVXWUHKLSA-N 0 3 287.403 3.549 20 30 CHEDHN C=CCCC(=O)O[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000816470481 1131095791 /nfs/dbraw/zinc/09/57/91/1131095791.db2.gz NZOYILHYEISSMV-WBVHZDCISA-N 0 3 287.403 3.549 20 30 CHEDHN Cn1cc(CN2CCC[C@@H]3CCC[C@@H]32)c2cc(C#N)ccc21 ZINC001237473716 1131103133 /nfs/dbraw/zinc/10/31/33/1131103133.db2.gz RVIQIPYOKJKOKT-YJBOKZPZSA-N 0 3 293.414 3.814 20 30 CHEDHN C#C[C@@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000816615768 1131115543 /nfs/dbraw/zinc/11/55/43/1131115543.db2.gz FPQWLOAIIDIGPV-FZKQIMNGSA-N 0 3 299.801 3.941 20 30 CHEDHN C=CCN(C)Cc1ccc(COc2ccccc2)cc1 ZINC001237919927 1131151112 /nfs/dbraw/zinc/15/11/12/1131151112.db2.gz JFAFDWSKBNMJGV-UHFFFAOYSA-N 0 3 267.372 3.883 20 30 CHEDHN C=C[C@H](COC)NCc1ccc(N(C)c2ccccc2)cc1 ZINC001116615828 1131157495 /nfs/dbraw/zinc/15/74/95/1131157495.db2.gz OLVXCKVJSNTEIS-QGZVFWFLSA-N 0 3 296.414 3.745 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC001238082833 1131168066 /nfs/dbraw/zinc/16/80/66/1131168066.db2.gz NWFRWBJFVOTTMB-UONOGXRCSA-N 0 3 274.795 3.834 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cccc(-c3cccs3)n2)C1 ZINC001238214058 1131182502 /nfs/dbraw/zinc/18/25/02/1131182502.db2.gz SHCAVSWLAYNJEF-AWEZNQCLSA-N 0 3 282.412 3.655 20 30 CHEDHN C#Cc1ccc(CN[C@H]2CCCN(C)c3ccccc32)cc1 ZINC000825117471 1131500064 /nfs/dbraw/zinc/50/00/64/1131500064.db2.gz DYOXVKWCLHLFNQ-IBGZPJMESA-N 0 3 290.410 3.729 20 30 CHEDHN Cc1c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)[nH]c2ccc(F)cc12 ZINC001138414063 1131501669 /nfs/dbraw/zinc/50/16/69/1131501669.db2.gz NKMLXCFFEBGVIB-XMQYKBBCSA-N 0 3 297.377 3.882 20 30 CHEDHN C#Cc1cccc(CNCc2cccc(OC(C)C)c2)c1 ZINC000825227566 1131504708 /nfs/dbraw/zinc/50/47/08/1131504708.db2.gz UUASYKCVIKGQSG-UHFFFAOYSA-N 0 3 279.383 3.745 20 30 CHEDHN N#CC1(CN[C@@H]2CCc3cc(Cl)ccc3C2)CCCC1 ZINC001171090330 1131513787 /nfs/dbraw/zinc/51/37/87/1131513787.db2.gz HUNVPBIVXHAMKA-MRXNPFEDSA-N 0 3 288.822 3.871 20 30 CHEDHN C#CCOc1ccc(CN(C)Cc2cccc(C)c2)cc1 ZINC001138556154 1131519724 /nfs/dbraw/zinc/51/97/24/1131519724.db2.gz HZWZQLOGRJNJRE-UHFFFAOYSA-N 0 3 279.383 3.639 20 30 CHEDHN C=CCN(Cc1cnn(-c2ccccc2)c1)C(C)(C)C ZINC001138603130 1131525881 /nfs/dbraw/zinc/52/58/81/1131525881.db2.gz FHLQNJMFPDLRTA-UHFFFAOYSA-N 0 3 269.392 3.659 20 30 CHEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC001138625841 1131527626 /nfs/dbraw/zinc/52/76/26/1131527626.db2.gz URHFCQPWGXXOGN-IYBDPMFKSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC001138625841 1131527629 /nfs/dbraw/zinc/52/76/29/1131527629.db2.gz URHFCQPWGXXOGN-IYBDPMFKSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1[O-] ZINC001138628110 1131528165 /nfs/dbraw/zinc/52/81/65/1131528165.db2.gz OCUNTRCFVTYPTF-CYBMUJFWSA-N 0 3 285.309 3.505 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1[O-] ZINC001138628110 1131528162 /nfs/dbraw/zinc/52/81/62/1131528162.db2.gz OCUNTRCFVTYPTF-CYBMUJFWSA-N 0 3 285.309 3.505 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCc3ccsc3C2)c1[O-] ZINC001138629016 1131529932 /nfs/dbraw/zinc/52/99/32/1131529932.db2.gz LDFRDRDESKSZFL-UHFFFAOYSA-N 0 3 285.412 3.741 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCc3ccsc3C2)c1[O-] ZINC001138629016 1131529935 /nfs/dbraw/zinc/52/99/35/1131529935.db2.gz LDFRDRDESKSZFL-UHFFFAOYSA-N 0 3 285.412 3.741 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC[C@H](CF)C1 ZINC001138665890 1131534896 /nfs/dbraw/zinc/53/48/96/1131534896.db2.gz ZQAFNVDTSZEAQG-OAHLLOKOSA-N 0 3 277.383 3.823 20 30 CHEDHN CCCCCCCN(C)Cc1cccc2ccnn21 ZINC001138806875 1131551266 /nfs/dbraw/zinc/55/12/66/1131551266.db2.gz VCXGZEGUCLPNOQ-UHFFFAOYSA-N 0 3 259.397 3.737 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cccc2ccnn21 ZINC001138805944 1131551327 /nfs/dbraw/zinc/55/13/27/1131551327.db2.gz IPXOKDWSNBCXHV-UHFFFAOYSA-N 0 3 291.398 3.913 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC001144080090 1131581785 /nfs/dbraw/zinc/58/17/85/1131581785.db2.gz VCQRYVUOQAJLGC-UHFFFAOYSA-N 0 3 277.371 3.532 20 30 CHEDHN C=CCN(CC=C)Cc1ccc2ccn(CC)c2c1 ZINC001139124550 1131584809 /nfs/dbraw/zinc/58/48/09/1131584809.db2.gz QTLHAKSWRAFCER-UHFFFAOYSA-N 0 3 254.377 3.835 20 30 CHEDHN C#CCN(C)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001139199777 1131595547 /nfs/dbraw/zinc/59/55/47/1131595547.db2.gz LEWSQZPBURSCRM-UHFFFAOYSA-N 0 3 274.367 3.900 20 30 CHEDHN CC(C)N(C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423936 1131607907 /nfs/dbraw/zinc/60/79/07/1131607907.db2.gz LGENONQSMABYFR-UHFFFAOYSA-N 0 3 281.359 3.586 20 30 CHEDHN CCCCCCCN(CC)Cc1ccc(C(=O)OC)cn1 ZINC001139495501 1131611461 /nfs/dbraw/zinc/61/14/61/1131611461.db2.gz UIGLGHAAKNAULH-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN CCCCCCCN(C)Cc1cc[nH]c1C(=O)OCC ZINC001144334640 1131618156 /nfs/dbraw/zinc/61/81/56/1131618156.db2.gz WEAYCEBBVUFVHJ-UHFFFAOYSA-N 0 3 280.412 3.594 20 30 CHEDHN CCC(CC)N(C)Cc1cccc(Cl)c1C#N ZINC001139691648 1131628802 /nfs/dbraw/zinc/62/88/02/1131628802.db2.gz CPKSXNUBTMPOBC-UHFFFAOYSA-N 0 3 250.773 3.832 20 30 CHEDHN CCN(Cc1cccc(OC)c1)Cc1ccc(C)c(C#N)c1 ZINC001139726113 1131632116 /nfs/dbraw/zinc/63/21/16/1131632116.db2.gz SKAIKRZGBQCGLP-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN C=CCn1cc(CN2CCC[C@H]2c2ccccc2C)cn1 ZINC001139768266 1131635735 /nfs/dbraw/zinc/63/57/35/1131635735.db2.gz LUTZAMZCUNSOQT-SFHVURJKSA-N 0 3 281.403 3.715 20 30 CHEDHN C#Cc1ccc(CN2CCCc3ccc(OC)cc3C2)cc1 ZINC001144578904 1131660944 /nfs/dbraw/zinc/66/09/44/1131660944.db2.gz SPTPPFJAUAXCNA-UHFFFAOYSA-N 0 3 291.394 3.625 20 30 CHEDHN C#Cc1ccc(CN(C)C/C=C/c2ccccc2)cc1 ZINC001144576184 1131662169 /nfs/dbraw/zinc/66/21/69/1131662169.db2.gz DUSYHLSVUFUGPC-JXMROGBWSA-N 0 3 261.368 3.813 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H]4CCC[C@H]4C3)c2c1 ZINC001140110939 1131665556 /nfs/dbraw/zinc/66/55/56/1131665556.db2.gz VJYOHXFYRZJZBC-CABCVRRESA-N 0 3 279.387 3.662 20 30 CHEDHN Cc1cccc2c1CN([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171203656 1131673595 /nfs/dbraw/zinc/67/35/95/1131673595.db2.gz OITVQLIZSMOFMY-OAHLLOKOSA-N 0 3 276.383 3.814 20 30 CHEDHN C#CCCCCN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000846154117 1131692124 /nfs/dbraw/zinc/69/21/24/1131692124.db2.gz NZPLJNCNHYTMKD-IBGZPJMESA-N 0 3 294.398 3.573 20 30 CHEDHN COc1ccc(CN[C@H](C)c2csc(C)c2)cc1C#N ZINC000834688824 1131694152 /nfs/dbraw/zinc/69/41/52/1131694152.db2.gz FQNIGIKEYJCSDP-GFCCVEGCSA-N 0 3 286.400 3.788 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1cc(Br)ncc1F ZINC000834881603 1131714742 /nfs/dbraw/zinc/71/47/42/1131714742.db2.gz BKGYPDWQTPJHTQ-VIFPVBQESA-N 0 3 287.176 3.600 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000834904397 1131726825 /nfs/dbraw/zinc/72/68/25/1131726825.db2.gz XUOKJFMSPRBFNQ-LJQANCHMSA-N 0 3 277.367 3.541 20 30 CHEDHN Cc1cc(C#N)ccc1NC[C@@H](c1ccsc1)N(C)C ZINC000846746140 1131726899 /nfs/dbraw/zinc/72/68/99/1131726899.db2.gz RMSMPHBYAUNBRD-INIZCTEOSA-N 0 3 285.416 3.643 20 30 CHEDHN C[C@@H]1CCC[C@@]1(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835076432 1131768855 /nfs/dbraw/zinc/76/88/55/1131768855.db2.gz IYHPMZIQJYVFKC-PSTGCABASA-N 0 3 282.343 3.830 20 30 CHEDHN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077498 1131769807 /nfs/dbraw/zinc/76/98/07/1131769807.db2.gz UPCQZOGXNREYKR-JHJVBQTASA-N 0 3 282.343 3.686 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000847025170 1131772073 /nfs/dbraw/zinc/77/20/73/1131772073.db2.gz BWYQCRYHXSRSJF-AWEZNQCLSA-N 0 3 282.412 3.655 20 30 CHEDHN N#Cc1ccc2c(c1)CN(C[C@H]1CCc3ccccc31)C2 ZINC000847043161 1131775880 /nfs/dbraw/zinc/77/58/80/1131775880.db2.gz ALZFGZWRCLRCTF-QGZVFWFLSA-N 0 3 274.367 3.604 20 30 CHEDHN COCC[C@@H]1CCCCN1Cc1cccc(C#N)c1Cl ZINC001140811343 1131933020 /nfs/dbraw/zinc/93/30/20/1131933020.db2.gz PTDNTRZTSADGFR-HNNXBMFYSA-N 0 3 292.810 3.603 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H]3CCC[C@@H]32)c1Cl ZINC001140809793 1131933447 /nfs/dbraw/zinc/93/34/47/1131933447.db2.gz HXOGDRFQVIBMIL-WFASDCNBSA-N 0 3 274.795 3.976 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccc(-c3ccccn3)s2)C1 ZINC001141000371 1131981446 /nfs/dbraw/zinc/98/14/46/1131981446.db2.gz BRNWJDHWZRBBTR-AWEZNQCLSA-N 0 3 297.427 3.936 20 30 CHEDHN C[C@@H](CC(C)(C)S)Oc1ccc2c(c1)CCN(C)C2 ZINC001228944540 1131983624 /nfs/dbraw/zinc/98/36/24/1131983624.db2.gz OMYAMSLODDCGIS-LBPRGKRZSA-N 0 3 279.449 3.540 20 30 CHEDHN Cc1ccncc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001141048198 1131995421 /nfs/dbraw/zinc/99/54/21/1131995421.db2.gz JAAYJWGYICRXHT-UHFFFAOYSA-N 0 3 290.410 3.654 20 30 CHEDHN CCc1ccccc1CN1CCc2cc(C#N)ccc2C1 ZINC001141224457 1132047199 /nfs/dbraw/zinc/04/71/99/1132047199.db2.gz WRXBDABOVUEXOD-UHFFFAOYSA-N 0 3 276.383 3.679 20 30 CHEDHN C=CCN(Cc1ccc(Cl)cc1C)[C@H](C)COC ZINC001171917575 1132109529 /nfs/dbraw/zinc/10/95/29/1132109529.db2.gz ZZNZZKDEGXYYKO-CYBMUJFWSA-N 0 3 267.800 3.671 20 30 CHEDHN C=CC[C@@H](NCc1ccc(O)c(OCC)c1)c1ccncc1 ZINC000838958389 1132160533 /nfs/dbraw/zinc/16/05/33/1132160533.db2.gz KPKGEMKIJKBBPZ-MRXNPFEDSA-N 0 3 298.386 3.593 20 30 CHEDHN CC[C@H](C)OCC[C@H](C)N1CCc2cc(C#N)ccc2C1 ZINC001172335461 1132173797 /nfs/dbraw/zinc/17/37/97/1132173797.db2.gz FDLCEWYKYBOBQK-GJZGRUSLSA-N 0 3 286.419 3.510 20 30 CHEDHN CC[C@H](C)OCC[C@@H](C)N(CCC#N)C1CCCC1 ZINC001172338832 1132176989 /nfs/dbraw/zinc/17/69/89/1132176989.db2.gz CXYRUPGIHQXNKA-CABCVRRESA-N 0 3 266.429 3.738 20 30 CHEDHN CCCCCCC[C@@H](CC)n1ncc2c1CCNC2 ZINC001172356040 1132185397 /nfs/dbraw/zinc/18/53/97/1132185397.db2.gz GLGNZMUNFMYQFF-OAHLLOKOSA-N 0 3 263.429 3.840 20 30 CHEDHN Cc1ccc(Cl)c(CN[C@H](C)CCCC#N)c1F ZINC001172481131 1132229200 /nfs/dbraw/zinc/22/92/00/1132229200.db2.gz PZMDMZMSIGALLC-LLVKDONJSA-N 0 3 268.763 3.960 20 30 CHEDHN C[C@@H](CCCC#N)N[C@@H](c1ncccc1Cl)C1CC1 ZINC001172491136 1132246829 /nfs/dbraw/zinc/24/68/29/1132246829.db2.gz DKAWDSJJYBWLFZ-SMDDNHRTSA-N 0 3 277.799 3.858 20 30 CHEDHN CC(C)N(CC(=O)c1ccccc1)[C@H](C)CCCC#N ZINC001172499282 1132250090 /nfs/dbraw/zinc/25/00/90/1132250090.db2.gz CMHSBXXJZWXYCB-OAHLLOKOSA-N 0 3 272.392 3.662 20 30 CHEDHN CCCCCCC[C@H](CCC)NCc1nonc1C ZINC001172503110 1132251600 /nfs/dbraw/zinc/25/16/00/1132251600.db2.gz VZLUXSFFHXREPH-AWEZNQCLSA-N 0 3 267.417 3.997 20 30 CHEDHN CCCCCCCC[C@H](CC)n1cc(CN)c(C)nc1=N ZINC001172506032 1132254284 /nfs/dbraw/zinc/25/42/84/1132254284.db2.gz ZQVSCGGIKPQTJW-INIZCTEOSA-N 0 3 292.471 3.831 20 30 CHEDHN CCCCCCC[C@@H](CCC)N1CC(N2CC(F)C2)C1 ZINC001172509440 1132257127 /nfs/dbraw/zinc/25/71/27/1132257127.db2.gz WQHDHUSXTAAZNQ-MRXNPFEDSA-N 0 3 284.463 3.854 20 30 CHEDHN N#C[C@@H]1CCCN([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172552418 1132264347 /nfs/dbraw/zinc/26/43/47/1132264347.db2.gz LIDZTBJUMRFHBY-JQHSSLGASA-N 0 3 268.404 3.948 20 30 CHEDHN CCN(CCC#N)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172553311 1132265685 /nfs/dbraw/zinc/26/56/85/1132265685.db2.gz PMLQFNDAGOTDEL-IAGOWNOFSA-N 0 3 256.393 3.948 20 30 CHEDHN C[C@@]1(C#N)CCN([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172566923 1132273289 /nfs/dbraw/zinc/27/32/89/1132273289.db2.gz ALMPDEGMZGEOPV-IKGGRYGDSA-N 0 3 254.377 3.558 20 30 CHEDHN CCCCN(CCC#N)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172830158 1132325857 /nfs/dbraw/zinc/32/58/57/1132325857.db2.gz GEHJSVXESVTHIF-GOSISDBHSA-N 0 3 270.420 3.868 20 30 CHEDHN C#C[C@H]1CCCN([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172867851 1132332111 /nfs/dbraw/zinc/33/21/11/1132332111.db2.gz AONXIGWIDXPCIJ-STQMWFEESA-N 0 3 279.786 3.755 20 30 CHEDHN C#C[C@@H]1CCCN([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172867849 1132332578 /nfs/dbraw/zinc/33/25/78/1132332578.db2.gz AONXIGWIDXPCIJ-QWHCGFSZSA-N 0 3 279.786 3.755 20 30 CHEDHN C#Cc1cccc(CN2Cc3ccccc3C[C@H]2C)c1 ZINC001231661779 1132338155 /nfs/dbraw/zinc/33/81/55/1132338155.db2.gz ZDRJSSXAGAMSRP-OAHLLOKOSA-N 0 3 261.368 3.615 20 30 CHEDHN CCc1ccc(C[C@@H](C)NCc2ccccc2C#N)cc1 ZINC001173234374 1132414093 /nfs/dbraw/zinc/41/40/93/1132414093.db2.gz AMJWSIKKCAZNJK-OAHLLOKOSA-N 0 3 278.399 3.841 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc2[nH]cnc21 ZINC001142689660 1132425516 /nfs/dbraw/zinc/42/55/16/1132425516.db2.gz LHDVYBZDGHFTJN-UHFFFAOYSA-N 0 3 277.371 3.751 20 30 CHEDHN C=CCCCNCc1cc(Br)cnc1Cl ZINC000842705961 1132453714 /nfs/dbraw/zinc/45/37/14/1132453714.db2.gz HGGGCRKDTYGQNU-UHFFFAOYSA-N 0 3 289.604 3.553 20 30 CHEDHN COc1cccc2c1CN(C1CCC(CC#N)CC1)CC2 ZINC001173331033 1132463891 /nfs/dbraw/zinc/46/38/91/1132463891.db2.gz KCGFEHCDVMQBQN-UHFFFAOYSA-N 0 3 284.403 3.526 20 30 CHEDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)c([O-])c1 ZINC000842883080 1132473629 /nfs/dbraw/zinc/47/36/29/1132473629.db2.gz ANASZUXUHLYLNU-AWEZNQCLSA-N 0 3 280.371 3.618 20 30 CHEDHN N#Cc1ccnc(CN2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001232479139 1132476437 /nfs/dbraw/zinc/47/64/37/1132476437.db2.gz NCPJEDXWEAJHNS-GOSISDBHSA-N 0 3 291.398 3.723 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(Br)c(C)n1 ZINC001232666203 1132502207 /nfs/dbraw/zinc/50/22/07/1132502207.db2.gz YSZGBVKLFVKULK-UHFFFAOYSA-N 0 3 283.213 3.551 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2ncsc21 ZINC001232732377 1132509228 /nfs/dbraw/zinc/50/92/28/1132509228.db2.gz GWJGGQDTQXXVRN-UHFFFAOYSA-N 0 3 293.395 3.800 20 30 CHEDHN C=CCN(CC=C)Cc1ccccc1-n1cccc1 ZINC001232910350 1132542476 /nfs/dbraw/zinc/54/24/76/1132542476.db2.gz JGCDGABBZQKJBU-UHFFFAOYSA-N 0 3 252.361 3.651 20 30 CHEDHN C=CCN(Cc1ccc(N(C)C)c(C#N)c1F)C(C)(C)C ZINC001233102782 1132571859 /nfs/dbraw/zinc/57/18/59/1132571859.db2.gz NINRDGJBLVLCIG-UHFFFAOYSA-N 0 3 289.398 3.550 20 30 CHEDHN Cc1ccc(C#N)c(Nc2ccccc2CN(C)C)c1 ZINC001173929907 1132643062 /nfs/dbraw/zinc/64/30/62/1132643062.db2.gz LRAAMJMDXOLBTB-UHFFFAOYSA-N 0 3 265.360 3.672 20 30 CHEDHN Cc1ccc(Nc2ccccc2CN(C)C)c(C#N)c1 ZINC001173929363 1132643274 /nfs/dbraw/zinc/64/32/74/1132643274.db2.gz CVSXIIBGEDIJSD-UHFFFAOYSA-N 0 3 265.360 3.672 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cc(F)c(F)c(C#N)c1 ZINC001173931461 1132644569 /nfs/dbraw/zinc/64/45/69/1132644569.db2.gz GYFDLKNBZHFSLH-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN Cc1cc(C#N)ccc1Nc1ccccc1CN(C)C ZINC001173930497 1132644711 /nfs/dbraw/zinc/64/47/11/1132644711.db2.gz ZSMPBDAHZITMOL-UHFFFAOYSA-N 0 3 265.360 3.672 20 30 CHEDHN Cc1cnccc1Nc1ccc(Cl)c(Cl)c1C#N ZINC001174538698 1132897995 /nfs/dbraw/zinc/89/79/95/1132897995.db2.gz LWUBCXOSFDAURI-UHFFFAOYSA-N 0 3 278.142 3.734 20 30 CHEDHN C=CC[N@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)C(C)(C)C ZINC001174642199 1132937454 /nfs/dbraw/zinc/93/74/54/1132937454.db2.gz SJGDUYSTCJRZHA-UHFFFAOYSA-N 0 3 297.402 3.636 20 30 CHEDHN C=CC[N@@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)C(C)(C)C ZINC001174642199 1132937456 /nfs/dbraw/zinc/93/74/56/1132937456.db2.gz SJGDUYSTCJRZHA-UHFFFAOYSA-N 0 3 297.402 3.636 20 30 CHEDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc(CCC#N)cc1 ZINC001162765709 1133110569 /nfs/dbraw/zinc/11/05/69/1133110569.db2.gz IHIAJTDELHKLSP-CYBMUJFWSA-N 0 3 290.370 3.501 20 30 CHEDHN CN1CCc2ccc(NC=Cc3ccc(C#N)cc3)cc2C1 ZINC001203310576 1133313801 /nfs/dbraw/zinc/31/38/01/1133313801.db2.gz ZRTAYZJCFBHYNA-CSKARUKUSA-N 0 3 289.382 3.629 20 30 CHEDHN C=C(C)C[C@H](CO)NCc1ccc(F)c(Cl)c1Cl ZINC001203470367 1133331667 /nfs/dbraw/zinc/33/16/67/1133331667.db2.gz GIFYPHZIQZJRRU-SNVBAGLBSA-N 0 3 292.181 3.549 20 30 CHEDHN [O-]c1ccccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001203560829 1133340097 /nfs/dbraw/zinc/34/00/97/1133340097.db2.gz HBGVSSHRYKMMKH-UHFFFAOYSA-N 0 3 291.394 3.656 20 30 CHEDHN N#Cc1c(F)cc(Nc2ccnc(C3CC3)c2)cc1F ZINC001203674862 1133352692 /nfs/dbraw/zinc/35/26/92/1133352692.db2.gz VRSDDBPDIRZRFY-UHFFFAOYSA-N 0 3 271.270 3.852 20 30 CHEDHN C[C@@H](COCC1CCCCC1)NCc1cc(C#N)cs1 ZINC001203750604 1133365639 /nfs/dbraw/zinc/36/56/39/1133365639.db2.gz MMNOKCORAIOCRZ-ZDUSSCGKSA-N 0 3 292.448 3.695 20 30 CHEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC001204016863 1133399552 /nfs/dbraw/zinc/39/95/52/1133399552.db2.gz KLILPNKTTZHQML-INIZCTEOSA-N 0 3 298.411 3.663 20 30 CHEDHN C=CCN(Cc1ccc2ccc(F)c(F)c2n1)C(C)C ZINC001204441159 1133447533 /nfs/dbraw/zinc/44/75/33/1133447533.db2.gz DQJVAXLJMZRCEY-UHFFFAOYSA-N 0 3 276.330 3.909 20 30 CHEDHN CCCCCCCCCN(C)Cc1c(C)cnn1C ZINC001204736389 1133481006 /nfs/dbraw/zinc/48/10/06/1133481006.db2.gz LDVWZYOYUUIXDB-UHFFFAOYSA-N 0 3 265.445 3.911 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(C)nc(C)c1 ZINC001204802534 1133487663 /nfs/dbraw/zinc/48/76/63/1133487663.db2.gz CMIMXOIBEJLQFR-UHFFFAOYSA-N 0 3 293.414 3.982 20 30 CHEDHN C#CC1CCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001204893655 1133497255 /nfs/dbraw/zinc/49/72/55/1133497255.db2.gz JRCYBJDTIYARJT-UHFFFAOYSA-N 0 3 285.284 3.690 20 30 CHEDHN C=CCCCCNCc1cncc(Cl)c1Cl ZINC001205470803 1133579985 /nfs/dbraw/zinc/57/99/85/1133579985.db2.gz CRAFGHUXLLTMAH-UHFFFAOYSA-N 0 3 259.180 3.834 20 30 CHEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC001206094354 1133656623 /nfs/dbraw/zinc/65/66/23/1133656623.db2.gz JBXGRFBCCPCDFC-UHFFFAOYSA-N 0 3 297.402 3.969 20 30 CHEDHN Cc1cncc(CN2CCC(C#Cc3ccccc3)CC2)c1 ZINC001207161885 1133772866 /nfs/dbraw/zinc/77/28/66/1133772866.db2.gz NEAVHFXIBJGARG-UHFFFAOYSA-N 0 3 290.410 3.654 20 30 CHEDHN CCCCCCC/C=C/CN1CC[C@@]12CCOC2 ZINC001208122850 1133880305 /nfs/dbraw/zinc/88/03/05/1133880305.db2.gz AVXLFYFXDKYNHP-FDMDGMSGSA-N 0 3 251.414 3.768 20 30 CHEDHN Cc1ccc([C@H](C)CCN2CCC(C)(C#N)CC2)o1 ZINC001208168690 1133894805 /nfs/dbraw/zinc/89/48/05/1133894805.db2.gz PFIBUDSPAUKINZ-CYBMUJFWSA-N 0 3 260.381 3.707 20 30 CHEDHN CC[N@H+](CCCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC001208862304 1133955748 /nfs/dbraw/zinc/95/57/48/1133955748.db2.gz HTKXVJWTBBSJHZ-UHFFFAOYSA-N 0 3 294.398 3.719 20 30 CHEDHN CC[N@@H+](CCCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC001208862304 1133955751 /nfs/dbraw/zinc/95/57/51/1133955751.db2.gz HTKXVJWTBBSJHZ-UHFFFAOYSA-N 0 3 294.398 3.719 20 30 CHEDHN CC1(C#N)CCN(CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001209125979 1133979753 /nfs/dbraw/zinc/97/97/53/1133979753.db2.gz MVVVJCUZCQWCPR-UHFFFAOYSA-N 0 3 296.336 3.874 20 30 CHEDHN C#CC1CCN(CCc2ccccc2C(F)(F)F)CC1 ZINC001209282503 1133999160 /nfs/dbraw/zinc/99/91/60/1133999160.db2.gz POHKHJZZSAWSOW-UHFFFAOYSA-N 0 3 281.321 3.593 20 30 CHEDHN C=CCCCCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC001209427689 1134016985 /nfs/dbraw/zinc/01/69/85/1134016985.db2.gz XUTBCJXWEYGQMI-UHFFFAOYSA-N 0 3 295.430 3.977 20 30 CHEDHN C=CCCCCCCN1CCN(c2cccc(C)n2)CC1 ZINC001209430958 1134017127 /nfs/dbraw/zinc/01/71/27/1134017127.db2.gz FSSSLKJNOYJJBC-UHFFFAOYSA-N 0 3 287.451 3.649 20 30 CHEDHN C=CCCCCCCN1CC2(C1)C[C@@H](F)CS2 ZINC001209440180 1134021162 /nfs/dbraw/zinc/02/11/62/1134021162.db2.gz DJGTWQSIWAKGQD-CYBMUJFWSA-N 0 3 257.418 3.652 20 30 CHEDHN C=CCCCCN(C)Cc1[nH]c(C)c(C(=O)OCC)c1C ZINC001209608296 1134043674 /nfs/dbraw/zinc/04/36/74/1134043674.db2.gz IOPVFLMAKUQWQA-UHFFFAOYSA-N 0 3 292.423 3.596 20 30 CHEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(C)cc2)no1 ZINC001211436784 1134416631 /nfs/dbraw/zinc/41/66/31/1134416631.db2.gz XAYSGQZMSBPXCA-UHFFFAOYSA-N 0 3 283.375 3.544 20 30 CHEDHN Cc1nc2ccc(Nc3ccc(CC#N)cc3)cc2[nH]1 ZINC001213073099 1134420325 /nfs/dbraw/zinc/42/03/25/1134420325.db2.gz DPJAVLJEXSPYNX-UHFFFAOYSA-N 0 3 262.316 3.681 20 30 CHEDHN CC(C)(C)c1cc(-n2ccc3c2cc(C#N)cc3N)ccn1 ZINC001213168493 1134433805 /nfs/dbraw/zinc/43/38/05/1134433805.db2.gz IZKAWLWBLAHLPU-UHFFFAOYSA-N 0 3 290.370 3.777 20 30 CHEDHN CCCCCCCC[C@@H](CC)OC[C@@H]1CNCCO1 ZINC001217897172 1135020875 /nfs/dbraw/zinc/02/08/75/1135020875.db2.gz NQQLCPGDMJLTAA-CVEARBPZSA-N 0 3 271.445 3.521 20 30 CHEDHN C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2cccc3c2CNC3)O1 ZINC001218296411 1135081312 /nfs/dbraw/zinc/08/13/12/1135081312.db2.gz KLGSLFBFVOWGAN-AEFFLSMTSA-N 0 3 287.403 3.571 20 30 CHEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000095966184 185045566 /nfs/dbraw/zinc/04/55/66/185045566.db2.gz QQUPXDHOEASVOR-IUODEOHRSA-N 0 3 267.800 3.660 20 30 CHEDHN C[C@H]1CC(NCc2ccc(C#N)cc2F)C[C@H](C)C1 ZINC000084975399 260171777 /nfs/dbraw/zinc/17/17/77/260171777.db2.gz XUILVQOFPHTPSZ-VXGBXAGGSA-N 0 3 260.356 3.612 20 30 CHEDHN CC[C@@]1(C)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000344380507 529523907 /nfs/dbraw/zinc/52/39/07/529523907.db2.gz PKQSCTAJMQCOIT-INIZCTEOSA-N 0 3 260.356 3.709 20 30 CHEDHN CCc1cnccc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000344309412 529682150 /nfs/dbraw/zinc/68/21/50/529682150.db2.gz ZFJOCQJDTSVYFH-KGLIPLIRSA-N 0 3 279.387 3.927 20 30 CHEDHN CCc1ccc([C@@H]2CCCN(CCCC#N)C2)cc1 ZINC000353265411 529712967 /nfs/dbraw/zinc/71/29/67/529712967.db2.gz IYPAVGLYWCBDBN-QGZVFWFLSA-N 0 3 256.393 3.732 20 30 CHEDHN CN(CCCCC#N)Cc1csc(Br)c1 ZINC000042362265 260615843 /nfs/dbraw/zinc/61/58/43/260615843.db2.gz NOXFTNOEEDKBMX-UHFFFAOYSA-N 0 3 287.226 3.636 20 30 CHEDHN COc1ccc([C@H](C)NCC(C)(C)CC#N)cc1Cl ZINC000574290878 335007009 /nfs/dbraw/zinc/00/70/09/335007009.db2.gz VRZFPIQQQDBKFO-NSHDSACASA-N 0 3 280.799 3.939 20 30 CHEDHN CCC1(C)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000229749661 261220159 /nfs/dbraw/zinc/22/01/59/261220159.db2.gz AIEATUMNGILRGB-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN COc1ccc(Cl)cc1CNCC(C)(C)CCC#N ZINC000174315659 261565968 /nfs/dbraw/zinc/56/59/68/261565968.db2.gz WEGPUICHPYKZOX-UHFFFAOYSA-N 0 3 280.799 3.768 20 30 CHEDHN N#CC(CCc1ccccc1)C(=O)NC1(C2CCC2)CCC1 ZINC000574773390 335046861 /nfs/dbraw/zinc/04/68/61/335046861.db2.gz YFCQERDITYZXDK-INIZCTEOSA-N 0 3 296.414 3.598 20 30 CHEDHN COc1ccc(-c2ccccc2)cc1CNCCCC#N ZINC000344335071 533182416 /nfs/dbraw/zinc/18/24/16/533182416.db2.gz QROIIRWMBUSVSL-UHFFFAOYSA-N 0 3 280.371 3.756 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC2(CCCC2)CC1 ZINC000347226815 533494697 /nfs/dbraw/zinc/49/46/97/533494697.db2.gz ATOKRAQCOBFOBV-UHFFFAOYSA-N 0 3 284.403 3.723 20 30 CHEDHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1ccc(C#N)c(F)c1 ZINC000335960449 533540797 /nfs/dbraw/zinc/54/07/97/533540797.db2.gz APPOOSNWKCKKPZ-MFKMUULPSA-N 0 3 282.309 3.926 20 30 CHEDHN Cc1[nH]c2ccc(CN[C@H]3CC[C@H](C#N)C3)cc2c1C ZINC000336170482 533623393 /nfs/dbraw/zinc/62/33/93/533623393.db2.gz GWDYGLUNWMBJNK-ZFWWWQNUSA-N 0 3 267.376 3.567 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1CNCc1cc(C#N)ccc1F ZINC000042862852 174893882 /nfs/dbraw/zinc/89/38/82/174893882.db2.gz CPRCWWDNSHDKFL-TZMCWYRMSA-N 0 3 260.356 3.613 20 30 CHEDHN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(C#N)s1 ZINC000334831762 225325288 /nfs/dbraw/zinc/32/52/88/225325288.db2.gz RQKNMOCMAGZINH-MGPLVRAMSA-N 0 3 286.375 3.782 20 30 CHEDHN CC(C#N)C(=O)NCc1ccccc1Sc1ccccc1 ZINC000347121269 226034075 /nfs/dbraw/zinc/03/40/75/226034075.db2.gz ZAHXYIWOQRKJJS-ZDUSSCGKSA-N 0 3 296.395 3.614 20 30 CHEDHN C=CCN1CCC(NC(=O)CCCC2CCCCC2)CC1 ZINC000171722081 335075566 /nfs/dbraw/zinc/07/55/66/335075566.db2.gz JWERQVCITPFUDR-UHFFFAOYSA-N 0 3 292.467 3.504 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000336630914 227222605 /nfs/dbraw/zinc/22/26/05/227222605.db2.gz QTTYNQBWYYMNCS-DYVFJYSZSA-N 0 3 270.351 3.607 20 30 CHEDHN N#Cc1ccc(CNCc2ccccc2)c(C(F)(F)F)c1 ZINC000352855158 227339171 /nfs/dbraw/zinc/33/91/71/227339171.db2.gz SLJCCAIZAUNZGI-UHFFFAOYSA-N 0 3 290.288 3.867 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000336157367 228199189 /nfs/dbraw/zinc/19/91/89/228199189.db2.gz AXXWYQCQGQWTMO-ACJLOTCBSA-N 0 3 277.371 3.681 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCCc3c(F)cccc32)c1 ZINC000336213180 228215009 /nfs/dbraw/zinc/21/50/09/228215009.db2.gz KBBPZIBXYQLXEZ-INIZCTEOSA-N 0 3 286.375 3.926 20 30 CHEDHN CN(Cc1cc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000179908981 260079960 /nfs/dbraw/zinc/07/99/60/260079960.db2.gz NSBBUYYIVBOEQB-INIZCTEOSA-N 0 3 268.385 3.739 20 30 CHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(O)c1 ZINC000037319317 260087512 /nfs/dbraw/zinc/08/75/12/260087512.db2.gz BARYYDRUGUWIAE-CHWSQXEVSA-N 0 3 266.344 3.676 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000078973148 260172466 /nfs/dbraw/zinc/17/24/66/260172466.db2.gz RWCSLLYRDNBCQS-QWHCGFSZSA-N 0 3 294.354 3.699 20 30 CHEDHN CC[C@H](NCc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000079720661 260176909 /nfs/dbraw/zinc/17/69/09/260176909.db2.gz KMOUQWOZYMJWMT-KRWDZBQOSA-N 0 3 295.342 3.707 20 30 CHEDHN N#CCCCN[C@H](Cc1ccccc1)c1ccccc1 ZINC000057620329 260225378 /nfs/dbraw/zinc/22/53/78/260225378.db2.gz KCSBIXHGHYLURK-GOSISDBHSA-N 0 3 264.372 3.864 20 30 CHEDHN Cc1cccc(C)c1OC[C@H](C)NCc1cccc(C#N)c1 ZINC000518275463 260367361 /nfs/dbraw/zinc/36/73/61/260367361.db2.gz HMKOEUNHVXNDAC-INIZCTEOSA-N 0 3 294.398 3.732 20 30 CHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccccc2)n1 ZINC000155770979 261107335 /nfs/dbraw/zinc/10/73/35/261107335.db2.gz XUUVJULEKOEJEQ-GFCCVEGCSA-N 0 3 285.372 3.512 20 30 CHEDHN COc1ccccc1[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC000157912919 261155459 /nfs/dbraw/zinc/15/54/59/261155459.db2.gz OVBSNFXGJHRIDL-QGZVFWFLSA-N 0 3 292.382 3.556 20 30 CHEDHN CC#CCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000462331470 261172221 /nfs/dbraw/zinc/17/22/21/261172221.db2.gz CLBMOUMBIGBVCG-UHFFFAOYSA-N 0 3 265.356 3.718 20 30 CHEDHN N#Cc1cccc(OC2CCN(Cc3ccccc3)CC2)c1 ZINC000104715966 261300660 /nfs/dbraw/zinc/30/06/60/261300660.db2.gz FYEYUNLNZDNYRW-UHFFFAOYSA-N 0 3 292.382 3.602 20 30 CHEDHN Cc1cccc2c1CC[C@H]2NCc1cccc(C#N)c1 ZINC000105496823 261310909 /nfs/dbraw/zinc/31/09/09/261310909.db2.gz IEVRXPPAVAKTJT-GOSISDBHSA-N 0 3 262.356 3.644 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000181806424 261911414 /nfs/dbraw/zinc/91/14/14/261911414.db2.gz ZUWRDMRULVVRTD-SUMWQHHRSA-N 0 3 265.360 3.755 20 30 CHEDHN CC[C@H](C#N)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000187025600 262121839 /nfs/dbraw/zinc/12/18/39/262121839.db2.gz OQFBZYXVCSTHSV-DZGCQCFKSA-N 0 3 271.408 3.761 20 30 CHEDHN CC(C)OC1CC(N[C@H](CCC#N)c2ccccc2)C1 ZINC000189551219 262173104 /nfs/dbraw/zinc/17/31/04/262173104.db2.gz FDGZUIGKPHWTGO-OFLPRAFFSA-N 0 3 272.392 3.577 20 30 CHEDHN Cc1oc2ccccc2c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000193296724 262220110 /nfs/dbraw/zinc/22/01/10/262220110.db2.gz BCBLOIPNZSWADB-KBPBESRZSA-N 0 3 268.360 3.913 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Cl)cc2F)C1 ZINC000193311175 262220514 /nfs/dbraw/zinc/22/05/14/262220514.db2.gz URCHXXQNJGXJCK-GWCFXTLKSA-N 0 3 266.747 3.651 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1CS[C@H](C(C)C)C1 ZINC000488424710 262318457 /nfs/dbraw/zinc/31/84/57/262318457.db2.gz DLFQFOTXADLYLM-RDJZCZTQSA-N 0 3 291.460 3.871 20 30 CHEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000186716768 262320255 /nfs/dbraw/zinc/32/02/55/262320255.db2.gz CAAUBBYWCJJHIF-MWLCHTKSSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1cn2ccccc2n1 ZINC000508749739 262369016 /nfs/dbraw/zinc/36/90/16/262369016.db2.gz WZCRBWHDLRHWPG-CQSZACIVSA-N 0 3 257.381 3.559 20 30 CHEDHN C=CC[C@H](C)N[C@H](C)c1ncc(Br)cc1F ZINC000187345533 262399524 /nfs/dbraw/zinc/39/95/24/262399524.db2.gz VYNGVCGHLPJEFC-DTWKUNHWSA-N 0 3 287.176 3.598 20 30 CHEDHN C=CC1CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000338994694 262577968 /nfs/dbraw/zinc/57/79/68/262577968.db2.gz HRGQVRRUIHNUEB-UHFFFAOYSA-N 0 3 258.409 3.911 20 30 CHEDHN C=CCC(C)(C)CNCc1cnc([C@@H]2CCCO2)s1 ZINC000339415823 262639620 /nfs/dbraw/zinc/63/96/20/262639620.db2.gz GBMPUNUIJIPUMP-ZDUSSCGKSA-N 0 3 280.437 3.687 20 30 CHEDHN C[C@H](CCC#N)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000411806618 262707052 /nfs/dbraw/zinc/70/70/52/262707052.db2.gz VRWPNBYNTHBQIC-CYBMUJFWSA-N 0 3 292.373 3.912 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(C)n(C)n1 ZINC000414298524 262838747 /nfs/dbraw/zinc/83/87/47/262838747.db2.gz IXLWQQRXKJXXJL-RDJZCZTQSA-N 0 3 283.419 3.567 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271952258 263000598 /nfs/dbraw/zinc/00/05/98/263000598.db2.gz BHWFTTZJDSEIJT-CYBMUJFWSA-N 0 3 290.432 3.725 20 30 CHEDHN N#CCCCN[C@@H]1CCSc2ccc(Cl)cc21 ZINC000273257518 263014423 /nfs/dbraw/zinc/01/44/23/263014423.db2.gz MDPRSTIKXWWEDS-GFCCVEGCSA-N 0 3 266.797 3.770 20 30 CHEDHN C[C@H](NCCCC#N)c1ccccc1OC(F)(F)F ZINC000273300023 263014879 /nfs/dbraw/zinc/01/48/79/263014879.db2.gz UNWPQWOPVUJSOJ-JTQLQIEISA-N 0 3 272.270 3.540 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc2ccccc2o1 ZINC000274628951 263028166 /nfs/dbraw/zinc/02/81/66/263028166.db2.gz OKPWAGVGGRQWBK-SCRDCRAPSA-N 0 3 254.333 3.776 20 30 CHEDHN CCN(Cc1ccc(Cl)s1)[C@@H](C)CCC#N ZINC000276290751 263035783 /nfs/dbraw/zinc/03/57/83/263035783.db2.gz HTEIANBAFGFIQN-JTQLQIEISA-N 0 3 256.802 3.916 20 30 CHEDHN Cc1cnc(C2CCN(CC(C)(C)CCC#N)CC2)s1 ZINC000277485277 263041457 /nfs/dbraw/zinc/04/14/57/263041457.db2.gz MZWNWTVPHUYLIG-UHFFFAOYSA-N 0 3 291.464 3.961 20 30 CHEDHN CCN(Cc1ccc(Cl)s1)[C@H]1CC[C@@H](C#N)C1 ZINC000278578708 263049071 /nfs/dbraw/zinc/04/90/71/263049071.db2.gz JWSWCJCPMQYSFN-MNOVXSKESA-N 0 3 268.813 3.916 20 30 CHEDHN CO[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000278672771 263049592 /nfs/dbraw/zinc/04/95/92/263049592.db2.gz JGWKITJLQPZAJW-VBNZEHGJSA-N 0 3 292.810 3.699 20 30 CHEDHN N#CC1CCC(CNCc2c(F)cccc2Cl)CC1 ZINC000281752508 263071606 /nfs/dbraw/zinc/07/16/06/263071606.db2.gz REMOMHMNBWDFNF-UHFFFAOYSA-N 0 3 280.774 3.899 20 30 CHEDHN Cc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)c([O-])c1 ZINC000282286777 263075532 /nfs/dbraw/zinc/07/55/32/263075532.db2.gz LISQWEFKQHSXQM-WLYUNCDWSA-N 0 3 272.392 3.681 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000282852786 263079135 /nfs/dbraw/zinc/07/91/35/263079135.db2.gz SYSRSXSPPVHFPR-FZMZJTMJSA-N 0 3 250.773 3.553 20 30 CHEDHN N#CCCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000292461825 263132466 /nfs/dbraw/zinc/13/24/66/263132466.db2.gz QLQNGQOQGNSYDT-CQSZACIVSA-N 0 3 280.824 3.810 20 30 CHEDHN CCN(CCOCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000293355219 263139480 /nfs/dbraw/zinc/13/94/80/263139480.db2.gz DWBFIHZYAQOZOJ-AWEZNQCLSA-N 0 3 286.375 3.746 20 30 CHEDHN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293374801 263139557 /nfs/dbraw/zinc/13/95/57/263139557.db2.gz FYVNEEACHFBFBJ-MJGOQNOKSA-N 0 3 297.446 3.801 20 30 CHEDHN COc1ccc2cc(CN(C)[C@@H]3CC[C@H](C#N)C3)ccc2c1 ZINC000293508078 263142438 /nfs/dbraw/zinc/14/24/38/263142438.db2.gz OCSGNQLYMMUIMQ-KBXCAEBGSA-N 0 3 294.398 3.972 20 30 CHEDHN CC(F)(F)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000293841693 263150981 /nfs/dbraw/zinc/15/09/81/263150981.db2.gz XUHXRUJMCWRMLB-HIFRSBDPSA-N 0 3 278.346 3.970 20 30 CHEDHN Cc1nn(C)cc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340450560 263155054 /nfs/dbraw/zinc/15/50/54/263155054.db2.gz NIXGNQPHIMGUNW-KDOFPFPSSA-N 0 3 296.418 3.814 20 30 CHEDHN CCCc1ccc2nccc(N3CCC(C#N)CC3)c2c1 ZINC000295464434 263177666 /nfs/dbraw/zinc/17/76/66/263177666.db2.gz IDRJKJHFSRPOIA-UHFFFAOYSA-N 0 3 279.387 3.927 20 30 CHEDHN Cc1csc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000453330999 263236390 /nfs/dbraw/zinc/23/63/90/263236390.db2.gz ZDJCGLQKBKAXSL-LLVKDONJSA-N 0 3 274.364 3.918 20 30 CHEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000299714807 263253301 /nfs/dbraw/zinc/25/33/01/263253301.db2.gz RDANPWQWZGOZFH-GHMZBOCLSA-N 0 3 268.307 3.631 20 30 CHEDHN C=CC[C@H](CC)NCc1nc2ccc(OC)cc2s1 ZINC000341431744 263337739 /nfs/dbraw/zinc/33/77/39/263337739.db2.gz HITPELWVWXSYQW-NSHDSACASA-N 0 3 276.405 3.749 20 30 CHEDHN CC#CCN[C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000342024733 263380513 /nfs/dbraw/zinc/38/05/13/263380513.db2.gz SGLVKRJCNFSCRD-CQSZACIVSA-N 0 3 286.202 3.684 20 30 CHEDHN C[C@@H]1CC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000331114863 264128649 /nfs/dbraw/zinc/12/86/49/264128649.db2.gz KFRMPYJHRCSTDR-KNPMLCFXSA-N 0 3 285.391 3.549 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)C1NC(=O)C(C#N)CCc1ccccc1 ZINC000331350734 264206892 /nfs/dbraw/zinc/20/68/92/264206892.db2.gz NXCDECHUUGCJRQ-INMHGKMJSA-N 0 3 298.430 3.700 20 30 CHEDHN CCS[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F ZINC000189492369 264302731 /nfs/dbraw/zinc/30/27/31/264302731.db2.gz PQUCQOGHHYXWIE-HZPDHXFCSA-N 0 3 292.423 3.851 20 30 CHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc2ccccc21 ZINC000189578805 264310084 /nfs/dbraw/zinc/31/00/84/264310084.db2.gz GRCBBHZVLBIIAZ-CQSZACIVSA-N 0 3 289.382 3.901 20 30 CHEDHN CC(C)Oc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000189581648 264310456 /nfs/dbraw/zinc/31/04/56/264310456.db2.gz XFUCSUXUJPWCCA-CQSZACIVSA-N 0 3 297.402 3.535 20 30 CHEDHN C=CCC[C@@H](NCc1nc(C2CC2)cs1)C1CC1 ZINC000090458994 264395560 /nfs/dbraw/zinc/39/55/60/264395560.db2.gz CQXWUCSKQSEEND-CYBMUJFWSA-N 0 3 262.422 3.855 20 30 CHEDHN C=CCOc1ccc(CN[C@H](C)c2cccc(CO)c2)cc1 ZINC000287583122 264626583 /nfs/dbraw/zinc/62/65/83/264626583.db2.gz RDBIXCNCAGXGNX-OAHLLOKOSA-N 0 3 297.398 3.595 20 30 CHEDHN C=CCOc1cccc(CN2CCC(C)(OCC)CC2)c1 ZINC000292791515 264892443 /nfs/dbraw/zinc/89/24/43/264892443.db2.gz MLYCCVHZWNRTSB-UHFFFAOYSA-N 0 3 289.419 3.642 20 30 CHEDHN C[C@@H](NCC(C)(C)CCC#N)c1cccc(F)c1F ZINC000348209463 265147051 /nfs/dbraw/zinc/14/70/51/265147051.db2.gz YMPXIYBTFSXVSP-LLVKDONJSA-N 0 3 266.335 3.945 20 30 CHEDHN C[C@H](C1CCC1)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000357025662 266235165 /nfs/dbraw/zinc/23/51/65/266235165.db2.gz BJUUGRYNPZURJS-LLVKDONJSA-N 0 3 294.345 3.780 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000118395783 267251276 /nfs/dbraw/zinc/25/12/76/267251276.db2.gz SVQGLPGRKNJIGP-CJNGLKHVSA-N 0 3 297.427 3.955 20 30 CHEDHN CC(C)(CCC#N)CNCc1ncoc1-c1ccccc1 ZINC000370558265 267328071 /nfs/dbraw/zinc/32/80/71/267328071.db2.gz OOYFZHUFUNDQDS-UHFFFAOYSA-N 0 3 283.375 3.761 20 30 CHEDHN N#Cc1ccc(CNCc2cccc(-c3cccnc3)c2)cc1 ZINC000370736912 267342998 /nfs/dbraw/zinc/34/29/98/267342998.db2.gz BPUREANGYGHMCN-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN C[C@@H](CCc1c(F)cccc1F)NCC1(C#N)CCC1 ZINC000418143279 267365668 /nfs/dbraw/zinc/36/56/68/267365668.db2.gz PAQHBXWAPMKVPF-LBPRGKRZSA-N 0 3 278.346 3.569 20 30 CHEDHN Cc1ccc(CC[C@@H](C)NCC2(C#N)CCC2)cc1 ZINC000418144046 267365825 /nfs/dbraw/zinc/36/58/25/267365825.db2.gz SCUBGDVVQJLDDU-OAHLLOKOSA-N 0 3 256.393 3.600 20 30 CHEDHN C[C@@H](CNCC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000418137120 267369991 /nfs/dbraw/zinc/36/99/91/267369991.db2.gz DDURZLIEOWTCMK-LBPRGKRZSA-N 0 3 262.784 3.727 20 30 CHEDHN CCc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418137768 267371797 /nfs/dbraw/zinc/37/17/97/267371797.db2.gz CEVBBSDKAOSEED-LJQANCHMSA-N 0 3 291.398 3.683 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000580518918 335089901 /nfs/dbraw/zinc/08/99/01/335089901.db2.gz IXZWXDNHRGAAEU-GLQYFDAESA-N 0 3 295.810 3.733 20 30 CHEDHN C[C@@H](NCCCCC#N)c1ncc(-c2ccccc2)o1 ZINC000174057225 327774644 /nfs/dbraw/zinc/77/46/44/327774644.db2.gz ZROBRMVGVIZCDO-CYBMUJFWSA-N 0 3 269.348 3.686 20 30 CHEDHN CO[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000185846957 327847836 /nfs/dbraw/zinc/84/78/36/327847836.db2.gz XBLQUDMYSZWQHQ-APHBMKBZSA-N 0 3 292.810 3.699 20 30 CHEDHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000236613321 328001684 /nfs/dbraw/zinc/00/16/84/328001684.db2.gz JCZFTGBCCTZQCS-BBRMVZONSA-N 0 3 260.381 3.846 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3cc(F)ccc31)CC2 ZINC000571368771 328117385 /nfs/dbraw/zinc/11/73/85/328117385.db2.gz VIPHHFVGEQCHIF-RTBURBONSA-N 0 3 292.357 3.962 20 30 CHEDHN C=CCN(C)C/C(C)=C/c1ccccc1OC(F)F ZINC000582518150 329099892 /nfs/dbraw/zinc/09/98/92/329099892.db2.gz JUUPJMUIGSBOHZ-ZRDIBKRKSA-N 0 3 267.319 3.809 20 30 CHEDHN CCSCC[C@@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000174039380 329153619 /nfs/dbraw/zinc/15/36/19/329153619.db2.gz JZFOEXXYBXWUHE-GFCCVEGCSA-N 0 3 280.412 3.661 20 30 CHEDHN C=CCCCC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000175283651 329167485 /nfs/dbraw/zinc/16/74/85/329167485.db2.gz MMUXPKPHLUSLJQ-OAHLLOKOSA-N 0 3 294.464 3.604 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC[C@H]1c1ccc[nH]1 ZINC000277570935 328221631 /nfs/dbraw/zinc/22/16/31/328221631.db2.gz BIDRYWZLXSIBKA-HNNXBMFYSA-N 0 3 259.397 3.872 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1cccc(F)c1F ZINC000295847817 328287340 /nfs/dbraw/zinc/28/73/40/328287340.db2.gz AUSLMMNXEJQBBZ-SRVKXCTJSA-N 0 3 264.319 3.698 20 30 CHEDHN CC(C)(C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000050346971 328397917 /nfs/dbraw/zinc/39/79/17/328397917.db2.gz STSDKZBNOVPLPC-UHFFFAOYSA-N 0 3 256.393 3.816 20 30 CHEDHN Cc1nccn1-c1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000348406481 328579291 /nfs/dbraw/zinc/57/92/91/328579291.db2.gz SSIKEOHKBJYKEK-AWEZNQCLSA-N 0 3 294.402 3.525 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000533445656 326834091 /nfs/dbraw/zinc/83/40/91/326834091.db2.gz AQDAADDKNHZZNW-NVXWUHKLSA-N 0 3 272.367 3.756 20 30 CHEDHN N#CCc1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000342698548 327028026 /nfs/dbraw/zinc/02/80/26/327028026.db2.gz UQFCWAODNSSDOR-AWEZNQCLSA-N 0 3 282.309 3.527 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000584121001 327044148 /nfs/dbraw/zinc/04/41/48/327044148.db2.gz ZKRDNQLEOYEVGY-KBXCAEBGSA-N 0 3 296.414 3.558 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(Cl)cc1)CC2 ZINC000558504440 327099382 /nfs/dbraw/zinc/09/93/82/327099382.db2.gz UCQMIMXQODMOSO-KRWDZBQOSA-N 0 3 282.774 3.989 20 30 CHEDHN C[C@H](c1ccc(F)c(F)c1)N(C)CCCSCC#N ZINC000074980893 327122540 /nfs/dbraw/zinc/12/25/40/327122540.db2.gz SNFPIDOAVJWLRV-LLVKDONJSA-N 0 3 284.375 3.604 20 30 CHEDHN N#C[C@H]1CC[C@@H](N2CCC(c3ccccc3F)CC2)C1 ZINC000518571967 327176871 /nfs/dbraw/zinc/17/68/71/327176871.db2.gz RIQWLDACCJCCHT-DZGCQCFKSA-N 0 3 272.367 3.697 20 30 CHEDHN N#Cc1ccc(CN(CC2CCCCC2)C2CC2)o1 ZINC000092165129 327188812 /nfs/dbraw/zinc/18/88/12/327188812.db2.gz SSGZKEYAVRCRKW-UHFFFAOYSA-N 0 3 258.365 3.696 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)o2)CC[C@@H]1c1ccccc1 ZINC000093668245 327199050 /nfs/dbraw/zinc/19/90/50/327199050.db2.gz QWHLRCBTQYTSIO-KSSFIOAISA-N 0 3 280.371 3.777 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569609044 327209862 /nfs/dbraw/zinc/20/98/62/327209862.db2.gz RYLVKRCSSIQBHU-XPKDYRNWSA-N 0 3 299.374 3.619 20 30 CHEDHN CCCN(C(=O)C(C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000531043583 327227210 /nfs/dbraw/zinc/22/72/10/327227210.db2.gz XRIXNCOZOUQYPN-OLZOCXBDSA-N 0 3 284.359 3.892 20 30 CHEDHN C=CC(C)(C)CNCc1conc1Cc1ccccc1 ZINC000449486091 327266536 /nfs/dbraw/zinc/26/65/36/327266536.db2.gz QDPNGXHRFNEXOK-UHFFFAOYSA-N 0 3 270.376 3.567 20 30 CHEDHN Cc1cccc(OCCNC2(c3cccc(C#N)c3)CC2)c1 ZINC000560175577 327288218 /nfs/dbraw/zinc/28/82/18/327288218.db2.gz QZSPYOHBTINDJY-UHFFFAOYSA-N 0 3 292.382 3.524 20 30 CHEDHN CSc1ccc2c(c1)[C@H](NCCCC#N)CCC2 ZINC000564972670 327296643 /nfs/dbraw/zinc/29/66/43/327296643.db2.gz MTXCZYZGIIOKLI-OAHLLOKOSA-N 0 3 260.406 3.679 20 30 CHEDHN N#CCC1(CNCc2cnc(C3CCCCC3)s2)CC1 ZINC000579307594 327361281 /nfs/dbraw/zinc/36/12/81/327361281.db2.gz FFLQCTOBFWGFLE-UHFFFAOYSA-N 0 3 289.448 3.974 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)nc1 ZINC000583448782 327372449 /nfs/dbraw/zinc/37/24/49/327372449.db2.gz OTXHXRFQRVHLSL-OAHLLOKOSA-N 0 3 297.789 3.596 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H](C)c1ccccc1 ZINC000151141080 327443027 /nfs/dbraw/zinc/44/30/27/327443027.db2.gz KNBHSSVCGGSEIS-ZIAGYGMSSA-N 0 3 282.362 3.979 20 30 CHEDHN C=CCC[C@H](NCCc1cccc(C#N)c1)c1ccco1 ZINC000569717308 327542290 /nfs/dbraw/zinc/54/22/90/327542290.db2.gz HOKITZRHOLRQAT-KRWDZBQOSA-N 0 3 280.371 3.991 20 30 CHEDHN C=CCCOCCN[C@H](CC)c1cc(Cl)ccc1OC ZINC000358380756 328882927 /nfs/dbraw/zinc/88/29/27/328882927.db2.gz LUTIOIIBGMHNKC-OAHLLOKOSA-N 0 3 297.826 3.982 20 30 CHEDHN CCCCCCCCC(=O)N1CCCC12CCN(C)CC2 ZINC000367346507 328898023 /nfs/dbraw/zinc/89/80/23/328898023.db2.gz MFEFYFKMERBBFI-UHFFFAOYSA-N 0 3 294.483 3.824 20 30 CHEDHN C=CC[C@H](CC)NCc1nc2ccccc2n1CC ZINC000393782697 329089701 /nfs/dbraw/zinc/08/97/01/329089701.db2.gz QTILMMCRHUERTP-ZDUSSCGKSA-N 0 3 257.381 3.501 20 30 CHEDHN Cc1ncncc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000582677577 329127307 /nfs/dbraw/zinc/12/73/07/329127307.db2.gz SIDSWWRBJNHZAX-CRAIPNDOSA-N 0 3 294.402 3.871 20 30 CHEDHN C#CCCOc1ccc(CN[C@@H](CC)c2ccncc2)cc1 ZINC000174436406 329158628 /nfs/dbraw/zinc/15/86/28/329158628.db2.gz LSEPALJTEXXLEI-IBGZPJMESA-N 0 3 294.398 3.725 20 30 CHEDHN Cc1[nH]c2ccccc2c1C1=CCN(CCCC#N)CC1 ZINC000174595770 329160219 /nfs/dbraw/zinc/16/02/19/329160219.db2.gz YVWHFYIUFPQQED-UHFFFAOYSA-N 0 3 279.387 3.869 20 30 CHEDHN N#Cc1ccc(CNCCc2ccc(Cl)s2)s1 ZINC000176949360 329179976 /nfs/dbraw/zinc/17/99/76/329179976.db2.gz ZICUOHVHMNMCDT-UHFFFAOYSA-N 0 3 282.821 3.667 20 30 CHEDHN CC(C)COc1cccc(CNCC(C)(C)CC#N)c1 ZINC000459729607 329373760 /nfs/dbraw/zinc/37/37/60/329373760.db2.gz KFZOHOAVBBDDIM-UHFFFAOYSA-N 0 3 274.408 3.751 20 30 CHEDHN C=CCN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189807264 329389144 /nfs/dbraw/zinc/38/91/44/329389144.db2.gz GGKNWMSEGTYKLB-UHFFFAOYSA-N 0 3 256.349 3.502 20 30 CHEDHN C=CCOCCN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000301761262 332858854 /nfs/dbraw/zinc/85/88/54/332858854.db2.gz GSHJKRGWESKFFR-SNVBAGLBSA-N 0 3 274.191 3.847 20 30 CHEDHN CC(C)c1ccc(C[C@@H](C)NC[C@H](C#N)CCC#N)cc1 ZINC000583867076 329521780 /nfs/dbraw/zinc/52/17/80/329521780.db2.gz RAATXCVJQOWUJZ-WBVHZDCISA-N 0 3 283.419 3.774 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000195252136 329692573 /nfs/dbraw/zinc/69/25/73/329692573.db2.gz NMDQNIAGWAAIFS-RBUKOAKNSA-N 0 3 292.382 3.568 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCSc3ccccc32)C1 ZINC000248835544 329900472 /nfs/dbraw/zinc/90/04/72/329900472.db2.gz NACJMVGYJKKVHQ-IPYPFGDCSA-N 0 3 272.417 3.895 20 30 CHEDHN C=CCC[C@@H](CC)NCc1csc([C@@H](C)OC)n1 ZINC000268894761 330066698 /nfs/dbraw/zinc/06/66/98/330066698.db2.gz AMPHMGFLMLDLEE-VXGBXAGGSA-N 0 3 268.426 3.685 20 30 CHEDHN C=CCOc1ccc(CN[C@@H](C)c2cnccc2C)cc1 ZINC000271270319 330078607 /nfs/dbraw/zinc/07/86/07/330078607.db2.gz CGVZQVIRSHUOPL-HNNXBMFYSA-N 0 3 282.387 3.806 20 30 CHEDHN C=CCC[C@H](CC)NCc1nnc(C(C)(C)C)s1 ZINC000271544521 330081093 /nfs/dbraw/zinc/08/10/93/330081093.db2.gz UUHIXRCLBPXJKX-NSHDSACASA-N 0 3 267.442 3.670 20 30 CHEDHN CC[C@H](NCc1cc(C)nc(C)c1)c1ccc(C#N)cc1 ZINC000421858111 330089923 /nfs/dbraw/zinc/08/99/23/330089923.db2.gz QGMBRRSWRGJJCL-SFHVURJKSA-N 0 3 279.387 3.811 20 30 CHEDHN C=CCC[C@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000273513090 330096924 /nfs/dbraw/zinc/09/69/24/330096924.db2.gz SCOMZJLBAMLVFG-NSHDSACASA-N 0 3 250.411 3.775 20 30 CHEDHN C=C(C)CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000274760713 330107826 /nfs/dbraw/zinc/10/78/26/330107826.db2.gz DKDDZTSCCCFWJF-AWEZNQCLSA-N 0 3 299.418 3.902 20 30 CHEDHN C=CCC[C@@H](NC[C@@](C)(O)c1cccs1)c1ccco1 ZINC000276391733 330112850 /nfs/dbraw/zinc/11/28/50/330112850.db2.gz BUAFUIXCWUQIPY-CZUORRHYSA-N 0 3 291.416 3.846 20 30 CHEDHN C=CCc1cccc(C(C)C)c1NC(=O)/C=C/CN(C)C ZINC000276650579 330114406 /nfs/dbraw/zinc/11/44/06/330114406.db2.gz SHYHXLDQVRYLQH-XYOKQWHBSA-N 0 3 286.419 3.595 20 30 CHEDHN C=CC[C@H]1N(Cc2nc(C)c(C)o2)CCCC1(C)C ZINC000277927810 330118582 /nfs/dbraw/zinc/11/85/82/330118582.db2.gz YMZDDBJXOYTPDC-CQSZACIVSA-N 0 3 262.397 3.858 20 30 CHEDHN C#Cc1ccc(CNCc2ccc(OC(C)(C)C)nc2)cc1 ZINC000278972830 330121360 /nfs/dbraw/zinc/12/13/60/330121360.db2.gz OTTIBQKLGODOEP-UHFFFAOYSA-N 0 3 294.398 3.530 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](N)c1ccccc1)c1ccco1 ZINC000423250074 330182569 /nfs/dbraw/zinc/18/25/69/330182569.db2.gz UMPWQXXFQZJRNL-HZPDHXFCSA-N 0 3 270.376 3.577 20 30 CHEDHN C=CCC[C@@H](NC[C@@H]1NCCc2ccccc21)c1ccco1 ZINC000423445458 330202232 /nfs/dbraw/zinc/20/22/32/330202232.db2.gz YHDOPOSPPQEXCB-MSOLQXFVSA-N 0 3 296.414 3.764 20 30 CHEDHN CCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000035054089 330242309 /nfs/dbraw/zinc/24/23/09/330242309.db2.gz FQSNBXDDTOOWTK-AWEZNQCLSA-N 0 3 280.371 3.808 20 30 CHEDHN C=C(C)COCCN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000536843697 330245870 /nfs/dbraw/zinc/24/58/70/330245870.db2.gz FLHQCXQDHUZJOJ-ZBFHGGJFSA-N 0 3 259.393 3.726 20 30 CHEDHN C=CC(C)(C)CNCc1cc(OCC)c(OC)cc1F ZINC000527715479 330276535 /nfs/dbraw/zinc/27/65/35/330276535.db2.gz IJCMGJAXKBEHLR-UHFFFAOYSA-N 0 3 281.371 3.535 20 30 CHEDHN CC[C@H](N[C@@H]1C[C@]1(C)OC(C)C)c1ccc(C#N)cc1 ZINC000528003768 330300407 /nfs/dbraw/zinc/30/04/07/330300407.db2.gz CJJIDPQMKURBNT-BBWFWOEESA-N 0 3 272.392 3.555 20 30 CHEDHN Cc1cc(F)c(CNCC2CCC(C#N)CC2)c(F)c1 ZINC000424186398 330320929 /nfs/dbraw/zinc/32/09/29/330320929.db2.gz GWUHANICTFICMB-UHFFFAOYSA-N 0 3 278.346 3.693 20 30 CHEDHN CCOc1c(Cl)cccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424202989 330327060 /nfs/dbraw/zinc/32/70/60/330327060.db2.gz UDKVIRRKHMJTDA-WCQYABFASA-N 0 3 278.783 3.521 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1csc(C(C)C)n1 ZINC000424300262 330336971 /nfs/dbraw/zinc/33/69/71/330336971.db2.gz XHBOLBKLRXLRDK-DYEKYZERSA-N 0 3 280.437 3.508 20 30 CHEDHN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424318070 330339767 /nfs/dbraw/zinc/33/97/67/330339767.db2.gz CLGRIQUBAJERGV-CTASWTNQSA-N 0 3 254.377 3.825 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(s1)CCC2 ZINC000424318635 330339947 /nfs/dbraw/zinc/33/99/47/330339947.db2.gz DBTJTLWDKSMLKG-GMXVVIOVSA-N 0 3 260.406 3.580 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OC(F)(F)F ZINC000424325975 330341360 /nfs/dbraw/zinc/34/13/60/330341360.db2.gz LLJBXLZDRHKYET-SDDRHHMPSA-N 0 3 298.308 3.928 20 30 CHEDHN COc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C(C)C)c(F)c1 ZINC000424330011 330342006 /nfs/dbraw/zinc/34/20/06/330342006.db2.gz PZHAEWMPSIOGSL-AHIWAGSCSA-N 0 3 290.382 3.813 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000119341253 330373135 /nfs/dbraw/zinc/37/31/35/330373135.db2.gz ZBEDAKKYDKOPBK-ZJUUUORDSA-N 0 3 254.171 3.674 20 30 CHEDHN C=C(C)COCCN[C@H](CC)c1cc(C)ccc1OC ZINC000090451006 330392475 /nfs/dbraw/zinc/39/24/75/330392475.db2.gz RTUTUBMPIOLBDB-MRXNPFEDSA-N 0 3 277.408 3.637 20 30 CHEDHN C=CCC[C@@H](O)CNC(c1ccccc1)c1ccccc1 ZINC000120930015 330393221 /nfs/dbraw/zinc/39/32/21/330393221.db2.gz GIASIZDYZRVRGQ-GOSISDBHSA-N 0 3 281.399 3.693 20 30 CHEDHN C=CCCC[C@@H](C)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000537048659 330394753 /nfs/dbraw/zinc/39/47/53/330394753.db2.gz WBWQIBALIXSTQX-OLZOCXBDSA-N 0 3 279.346 3.775 20 30 CHEDHN Cc1cscc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000094877210 330429645 /nfs/dbraw/zinc/42/96/45/330429645.db2.gz PYXKHMHTWRBLHB-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN CC[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000085065477 330488274 /nfs/dbraw/zinc/48/82/74/330488274.db2.gz URPFIVZNXCLNFU-DOMZBBRYSA-N 0 3 260.356 3.756 20 30 CHEDHN COc1ccc(CNCC2(CC#N)CC2)c2ccccc12 ZINC000430002180 330557045 /nfs/dbraw/zinc/55/70/45/330557045.db2.gz GGATUCVVHWQBKK-UHFFFAOYSA-N 0 3 280.371 3.632 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000155639351 330691700 /nfs/dbraw/zinc/69/17/00/330691700.db2.gz QYVXRNXRJUBWPC-GFCCVEGCSA-N 0 3 287.325 3.949 20 30 CHEDHN Cc1ccc(Br)cc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442871114 330789147 /nfs/dbraw/zinc/78/91/47/330789147.db2.gz VZVKBBDYXBXCAM-BXUZGUMPSA-N 0 3 293.208 3.539 20 30 CHEDHN CC1(C)C[C@H](NCC#Cc2cccc(Cl)c2)C(C)(C)O1 ZINC000444631630 330815730 /nfs/dbraw/zinc/81/57/30/330815730.db2.gz AMMRRXRZVLWLQJ-HNNXBMFYSA-N 0 3 291.822 3.627 20 30 CHEDHN C=CC[C@H](C)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000447581233 330871083 /nfs/dbraw/zinc/87/10/83/330871083.db2.gz SLEQMSHLXFFRQX-WCQYABFASA-N 0 3 291.391 3.696 20 30 CHEDHN Cc1cc([C@@H](C)NCc2cc(C#N)cs2)ccc1F ZINC000449372355 330919820 /nfs/dbraw/zinc/91/98/20/330919820.db2.gz GRPPRLPEFAPYAE-LLVKDONJSA-N 0 3 274.364 3.918 20 30 CHEDHN N#Cc1csc(CNC[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000449401409 330922537 /nfs/dbraw/zinc/92/25/37/330922537.db2.gz MUCKMIUTJKTVMF-GOEBONIOSA-N 0 3 297.427 3.688 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(SC)c(F)c1 ZINC000449697057 330944324 /nfs/dbraw/zinc/94/43/24/330944324.db2.gz JVTBBRRPUSJSCG-AAEUAGOBSA-N 0 3 283.412 3.525 20 30 CHEDHN C=C(CC)CNCc1cccc(OC)c1OC(C)C ZINC000449731389 330946112 /nfs/dbraw/zinc/94/61/12/330946112.db2.gz IMVAYDJQXUDAIH-UHFFFAOYSA-N 0 3 263.381 3.538 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)CCN1CC1(C#N)CCC1 ZINC000450899410 331005828 /nfs/dbraw/zinc/00/58/28/331005828.db2.gz DHVLRPGQOXXHRA-WBVHZDCISA-N 0 3 268.404 3.948 20 30 CHEDHN C=CCCN1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451019334 331012008 /nfs/dbraw/zinc/01/20/08/331012008.db2.gz UPCNAXKAJNSIJH-OAHLLOKOSA-N 0 3 255.365 3.584 20 30 CHEDHN C=CCCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451019334 331012009 /nfs/dbraw/zinc/01/20/09/331012009.db2.gz UPCNAXKAJNSIJH-OAHLLOKOSA-N 0 3 255.365 3.584 20 30 CHEDHN N#CCCCN1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451923911 331047464 /nfs/dbraw/zinc/04/74/64/331047464.db2.gz NMHLNOYPZFPVSB-UHFFFAOYSA-N 0 3 278.346 3.523 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@]2(CCSC2)C1 ZINC000451962041 331048483 /nfs/dbraw/zinc/04/84/83/331048483.db2.gz FHMGGRGEUYVRPK-YOEHRIQHSA-N 0 3 286.444 3.838 20 30 CHEDHN C=C(C)CCN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453323617 331116801 /nfs/dbraw/zinc/11/68/01/331116801.db2.gz RYZKSQGKHWMQQJ-LLVKDONJSA-N 0 3 277.799 3.844 20 30 CHEDHN CC[C@H](NCc1cnccc1C)c1ccc(C#N)cc1 ZINC000453326809 331117245 /nfs/dbraw/zinc/11/72/45/331117245.db2.gz NXMOJTKUASZPSF-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2c(Cl)cccc21 ZINC000453345789 331119918 /nfs/dbraw/zinc/11/99/18/331119918.db2.gz GIFYMCJBSSTNTD-XHSDSOJGSA-N 0 3 277.795 3.651 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cccc(Cl)c1F ZINC000453346099 331120055 /nfs/dbraw/zinc/12/00/55/331120055.db2.gz GRTHGIXPGKECDW-MJBXVCDLSA-N 0 3 283.774 3.863 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1OCC ZINC000453352028 331120875 /nfs/dbraw/zinc/12/08/75/331120875.db2.gz KORUPTFSLYECIE-JSGCOSHPSA-N 0 3 297.826 3.716 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(Cl)ccc1OCC ZINC000453357876 331122063 /nfs/dbraw/zinc/12/20/63/331122063.db2.gz MPARMYYDVOMGGE-DFBGVHRSSA-N 0 3 295.810 3.733 20 30 CHEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000453369282 331123839 /nfs/dbraw/zinc/12/38/39/331123839.db2.gz TUEKIDNJIPBMRQ-GDBMZVCRSA-N 0 3 285.387 3.924 20 30 CHEDHN CCn1cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000453376895 331124904 /nfs/dbraw/zinc/12/49/04/331124904.db2.gz PLIPNILQLZDCJT-SCLBCKFNSA-N 0 3 294.402 3.503 20 30 CHEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(C)ccc1OC(F)F ZINC000453380968 331125745 /nfs/dbraw/zinc/12/57/45/331125745.db2.gz ZZQNLAFEZRCTLD-CHWSQXEVSA-N 0 3 299.361 3.574 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(OC)c1 ZINC000453395139 331127752 /nfs/dbraw/zinc/12/77/52/331127752.db2.gz XDLBEVMOWLFXGW-SFHVURJKSA-N 0 3 298.361 3.947 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458254655 331246285 /nfs/dbraw/zinc/24/62/85/331246285.db2.gz AAGKDVLQPAJIRB-AWEZNQCLSA-N 0 3 274.408 3.597 20 30 CHEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1CC[C@@H](C#N)C1 ZINC000471598827 331285238 /nfs/dbraw/zinc/28/52/38/331285238.db2.gz MEEMUUYYKZHAON-KOFHJDLBSA-N 0 3 272.367 3.731 20 30 CHEDHN C=C(CC)CNCc1c(C)nc2scc(C3CC3)n12 ZINC000459565397 331288078 /nfs/dbraw/zinc/28/80/78/331288078.db2.gz ULMBNQGCLFONQT-UHFFFAOYSA-N 0 3 275.421 3.637 20 30 CHEDHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000459650324 331292185 /nfs/dbraw/zinc/29/21/85/331292185.db2.gz MFXKUYZINIEHNX-RBSFLKMASA-N 0 3 272.392 3.737 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000459665238 331292994 /nfs/dbraw/zinc/29/29/94/331292994.db2.gz KFAQZGWWFCNTAH-ICUOPCATSA-N 0 3 278.758 3.617 20 30 CHEDHN Cc1nn(-c2ccccc2)c(C)c1CNCC(C)(C)CC#N ZINC000459683892 331294270 /nfs/dbraw/zinc/29/42/70/331294270.db2.gz CXWASBVAYVRTQF-UHFFFAOYSA-N 0 3 296.418 3.519 20 30 CHEDHN CCCOc1cccc(CNCC(C)(C)CC#N)c1 ZINC000459699723 331295010 /nfs/dbraw/zinc/29/50/10/331295010.db2.gz ROLLQTFSSOYPQD-UHFFFAOYSA-N 0 3 260.381 3.505 20 30 CHEDHN CCC[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CCC1 ZINC000459801313 331301569 /nfs/dbraw/zinc/30/15/69/331301569.db2.gz KZSPRNOTZOWQRK-HNNXBMFYSA-N 0 3 287.363 3.525 20 30 CHEDHN CC#CCCN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000462315245 331319266 /nfs/dbraw/zinc/31/92/66/331319266.db2.gz MCWZMUNNODSLNR-UHFFFAOYSA-N 0 3 271.404 3.560 20 30 CHEDHN CC#CCCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000462337041 331319936 /nfs/dbraw/zinc/31/99/36/331319936.db2.gz RPBBZGSJMOQSCN-OAHLLOKOSA-N 0 3 291.822 3.844 20 30 CHEDHN C[C@@H](CNc1c(Cl)cccc1C#N)N1CCC[C@@H](C)C1 ZINC000462781263 331328719 /nfs/dbraw/zinc/32/87/19/331328719.db2.gz XRXBBBGOASOSCL-OLZOCXBDSA-N 0 3 291.826 3.744 20 30 CHEDHN CCCOc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000463239317 331343587 /nfs/dbraw/zinc/34/35/87/331343587.db2.gz XSAFDTACWGCSIK-RDJZCZTQSA-N 0 3 286.419 3.956 20 30 CHEDHN CCC[C@]1(C)CCCN(Cc2cccc(C#N)c2)C1 ZINC000464843665 331370237 /nfs/dbraw/zinc/37/02/37/331370237.db2.gz XLXPSOPJUDAGRQ-QGZVFWFLSA-N 0 3 256.393 3.960 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000464887504 331372764 /nfs/dbraw/zinc/37/27/64/331372764.db2.gz NHRYWWOPIRARRB-HUUCEWRRSA-N 0 3 293.332 3.789 20 30 CHEDHN C=C(C)[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000474927664 331604322 /nfs/dbraw/zinc/60/43/22/331604322.db2.gz KUBKTGIZFUWHLI-QEORTHHSSA-N 0 3 295.373 3.987 20 30 CHEDHN C=C[C@H](C)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000480308341 331767488 /nfs/dbraw/zinc/76/74/88/331767488.db2.gz HJGADIRYKRTOOX-JTQLQIEISA-N 0 3 263.287 3.889 20 30 CHEDHN CC#CCCNCc1c(OC(F)F)ccc2ccccc21 ZINC000482164443 331826426 /nfs/dbraw/zinc/82/64/26/331826426.db2.gz PBLWBTCUQCEAHP-UHFFFAOYSA-N 0 3 289.325 3.944 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C2CCCCC2)CC1 ZINC000489103853 332041468 /nfs/dbraw/zinc/04/14/68/332041468.db2.gz PLPFXEFIXLNYFP-MRXNPFEDSA-N 0 3 297.446 3.570 20 30 CHEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1 ZINC000489492010 332056490 /nfs/dbraw/zinc/05/64/90/332056490.db2.gz PSCXCTYJZBTVMN-HNNXBMFYSA-N 0 3 292.810 3.709 20 30 CHEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1cccc(F)c1C ZINC000489503943 332057266 /nfs/dbraw/zinc/05/72/66/332057266.db2.gz ZSBWYXVIEXKXIV-CQSZACIVSA-N 0 3 290.382 3.503 20 30 CHEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1cccc(F)c1C ZINC000489503942 332057395 /nfs/dbraw/zinc/05/73/95/332057395.db2.gz ZSBWYXVIEXKXIV-AWEZNQCLSA-N 0 3 290.382 3.503 20 30 CHEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H]1Cc1ccccc1 ZINC000489564289 332059331 /nfs/dbraw/zinc/05/93/31/332059331.db2.gz FWXCOXMPXKLYBR-LJQANCHMSA-N 0 3 294.373 3.904 20 30 CHEDHN C=CCC(C)(C)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000490100471 332081396 /nfs/dbraw/zinc/08/13/96/332081396.db2.gz IKFXIHOENIUHKG-MRXNPFEDSA-N 0 3 292.467 3.502 20 30 CHEDHN C#C[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(F)cc1 ZINC000491631748 332254136 /nfs/dbraw/zinc/25/41/36/332254136.db2.gz YWDTWFHNNKKXTK-AQFXKWCLSA-N 0 3 270.351 3.562 20 30 CHEDHN C[C@@H](NCc1ccc(F)cc1C#N)[C@@H](C)c1ccccc1 ZINC000495410662 332517743 /nfs/dbraw/zinc/51/77/43/332517743.db2.gz YLLJNHLOEYWTRH-ZIAGYGMSSA-N 0 3 282.362 3.979 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCC23CCC3)cc1 ZINC000502450083 332660342 /nfs/dbraw/zinc/66/03/42/332660342.db2.gz BAYMEKREULBUAL-HNNXBMFYSA-N 0 3 293.332 3.979 20 30 CHEDHN C=C(C)CNCc1ccc(OCC(C)C)c(OCC)c1 ZINC000512374838 332965339 /nfs/dbraw/zinc/96/53/39/332965339.db2.gz JKEUYAVGGTWCQX-UHFFFAOYSA-N 0 3 277.408 3.786 20 30 CHEDHN C[C@H](NCCc1cccs1)c1ccc(C#N)cc1F ZINC000512647177 332977441 /nfs/dbraw/zinc/97/74/41/332977441.db2.gz GSVZQIWFOWCREY-NSHDSACASA-N 0 3 274.364 3.652 20 30 CHEDHN C[C@H](N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512659380 332978322 /nfs/dbraw/zinc/97/83/22/332978322.db2.gz GIPFFWSXGVKVRV-IYJAJMOOSA-N 0 3 294.373 3.979 20 30 CHEDHN C[C@@H](NCCc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512661552 332978650 /nfs/dbraw/zinc/97/86/50/332978650.db2.gz SLXMDGVWJVDVMF-GFCCVEGCSA-N 0 3 286.325 3.730 20 30 CHEDHN N#Cc1cccc(CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000513461065 333020924 /nfs/dbraw/zinc/02/09/24/333020924.db2.gz KCHNHMRZUAVAGN-QGZVFWFLSA-N 0 3 280.346 3.687 20 30 CHEDHN CC(C)Oc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000404854262 333029828 /nfs/dbraw/zinc/02/98/28/333029828.db2.gz SFJJSDICGNUQNW-UHFFFAOYSA-N 0 3 298.361 3.774 20 30 CHEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000177254122 333056010 /nfs/dbraw/zinc/05/60/10/333056010.db2.gz PNYGMJDEDJAAHH-UHFFFAOYSA-N 0 3 267.294 3.541 20 30 CHEDHN C=CCCCCNCc1csc(C(C)(C)C)n1 ZINC000310394921 333058327 /nfs/dbraw/zinc/05/83/27/333058327.db2.gz SHHYXZIMWCNBAS-UHFFFAOYSA-N 0 3 252.427 3.887 20 30 CHEDHN CC(C)(C#N)CCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000088420220 333088976 /nfs/dbraw/zinc/08/89/76/333088976.db2.gz YIFRKMFALZEFOU-LLVKDONJSA-N 0 3 262.319 3.591 20 30 CHEDHN C=CCC[C@@H](NCC(C)(C)COCC)c1ccco1 ZINC000564152560 333121019 /nfs/dbraw/zinc/12/10/19/333121019.db2.gz OSVXQURYHQTCNS-CQSZACIVSA-N 0 3 265.397 3.939 20 30 CHEDHN COc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1F ZINC000185760831 333148247 /nfs/dbraw/zinc/14/82/47/333148247.db2.gz YCOYCKLNEFUTAF-OBJOEFQTSA-N 0 3 276.355 3.567 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCCOc2cccc3ccccc32)C1 ZINC000185787582 333148816 /nfs/dbraw/zinc/14/88/16/333148816.db2.gz XEIMBRQHFVQUKV-NVXWUHKLSA-N 0 3 294.398 3.891 20 30 CHEDHN CC(C)COc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185792959 333148930 /nfs/dbraw/zinc/14/89/30/333148930.db2.gz NTOUECNWMJBEAJ-DOTOQJQBSA-N 0 3 286.419 3.893 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 ZINC000521894590 333196461 /nfs/dbraw/zinc/19/64/61/333196461.db2.gz UAVCPUXAJAXMCX-KXBFYZLASA-N 0 3 291.398 3.579 20 30 CHEDHN COc1ccc([C@@H](CCC#N)NC2CC(C)(C)C2)cc1 ZINC000575883362 335128193 /nfs/dbraw/zinc/12/81/93/335128193.db2.gz QMBIEXHGHAAHJN-MRXNPFEDSA-N 0 3 272.392 3.818 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(F)cc1 ZINC000194972694 333280527 /nfs/dbraw/zinc/28/05/27/333280527.db2.gz LZDLQHPQSBHLKY-ZDUSSCGKSA-N 0 3 268.335 3.890 20 30 CHEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000230141926 333314815 /nfs/dbraw/zinc/31/48/15/333314815.db2.gz UVPAECPHRIDKFV-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN CC(C)(NCc1ccc(C#N)cc1)c1cccs1 ZINC000523937729 333349836 /nfs/dbraw/zinc/34/98/36/333349836.db2.gz CHOVIZYOWTUULV-UHFFFAOYSA-N 0 3 256.374 3.645 20 30 CHEDHN CC[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000234067658 333357651 /nfs/dbraw/zinc/35/76/51/333357651.db2.gz HAOYTLYOKNVBPO-AWEZNQCLSA-N 0 3 272.392 3.579 20 30 CHEDHN CCCN(Cc1ccccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000524892971 333392249 /nfs/dbraw/zinc/39/22/49/333392249.db2.gz VJPMJZUJFQUZNS-KZNAEPCWSA-N 0 3 298.430 3.584 20 30 CHEDHN N#Cc1ccc(C2(NCC3=CCCCC3)CCOCC2)cc1 ZINC000528782127 333458010 /nfs/dbraw/zinc/45/80/10/333458010.db2.gz IYFMIELKTCXNEO-UHFFFAOYSA-N 0 3 296.414 3.654 20 30 CHEDHN C=CCC(C)(C)CNCc1ncc(Br)s1 ZINC000339416513 335144964 /nfs/dbraw/zinc/14/49/64/335144964.db2.gz LRFARMGJUVWOCV-UHFFFAOYSA-N 0 3 289.242 3.598 20 30 CHEDHN C=CCCOCCN[C@@H]1CCc2c1cccc2Cl ZINC000539051484 333651773 /nfs/dbraw/zinc/65/17/73/333651773.db2.gz KCAZPVZIRBQGHO-OAHLLOKOSA-N 0 3 265.784 3.510 20 30 CHEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3)CCC2)o1 ZINC000174327097 335152854 /nfs/dbraw/zinc/15/28/54/335152854.db2.gz DORWLHFNZTWECM-UHFFFAOYSA-N 0 3 284.334 3.502 20 30 CHEDHN C=CCOc1ccc(CNCCc2ccco2)cc1Cl ZINC000539415376 333670559 /nfs/dbraw/zinc/67/05/59/333670559.db2.gz IDAUBWVMQWCZSP-UHFFFAOYSA-N 0 3 291.778 3.830 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000540170823 333717212 /nfs/dbraw/zinc/71/72/12/333717212.db2.gz POUZRXVUWNCBTA-QWRGUYRKSA-N 0 3 253.773 3.964 20 30 CHEDHN CO[C@@H](C)[C@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540318208 333725386 /nfs/dbraw/zinc/72/53/86/333725386.db2.gz NHEFVBFWAUJNSP-GJZGRUSLSA-N 0 3 294.398 3.738 20 30 CHEDHN CC[C@@H](NCC1(C#N)CC1)C(C)(C)c1ccccc1 ZINC000540520267 333733879 /nfs/dbraw/zinc/73/38/79/333733879.db2.gz FADOHVDMOFROHZ-OAHLLOKOSA-N 0 3 256.393 3.636 20 30 CHEDHN C[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540711059 333743233 /nfs/dbraw/zinc/74/32/33/333743233.db2.gz UEXUBWXSYAKXOJ-IXDGSTSKSA-N 0 3 294.373 3.979 20 30 CHEDHN C=CCC[C@@H](Nc1cccc(OCCN(C)C)c1)C1CC1 ZINC000540840723 333750034 /nfs/dbraw/zinc/75/00/34/333750034.db2.gz NEQUZPSLGTYUAH-GOSISDBHSA-N 0 3 288.435 3.784 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000542496378 333828199 /nfs/dbraw/zinc/82/81/99/333828199.db2.gz NVAHQSVVJXZKPN-DYVFJYSZSA-N 0 3 270.351 3.864 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccc3)CC2)nc1 ZINC000576177716 335165615 /nfs/dbraw/zinc/16/56/15/335165615.db2.gz XSTGPGYJVQXTIW-SFHVURJKSA-N 0 3 291.398 3.723 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000545271738 333974683 /nfs/dbraw/zinc/97/46/83/333974683.db2.gz YDGCXIVYRLWQHH-ZANVPECISA-N 0 3 274.191 3.581 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000076737954 334088303 /nfs/dbraw/zinc/08/83/03/334088303.db2.gz KLKWBZVFKBZHBU-ZDUSSCGKSA-N 0 3 294.826 3.873 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)o1)[C@H](C)C1CCCCC1 ZINC000237477409 334089717 /nfs/dbraw/zinc/08/97/17/334089717.db2.gz IFXGBLQXXRKPQU-QWHCGFSZSA-N 0 3 260.381 3.846 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1ccc(OC)cc1 ZINC000135670723 334135845 /nfs/dbraw/zinc/13/58/45/334135845.db2.gz PBYVAPZFYDXLRX-MRXNPFEDSA-N 0 3 286.400 3.869 20 30 CHEDHN Cc1cc(C)c2c(c1)CN(CCC(C)(C)C#N)CC2 ZINC000548275557 334148268 /nfs/dbraw/zinc/14/82/68/334148268.db2.gz XZXROPARYYKJFS-UHFFFAOYSA-N 0 3 256.393 3.601 20 30 CHEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccc(C(C)(C)C)cc1 ZINC000549140382 334186337 /nfs/dbraw/zinc/18/63/37/334186337.db2.gz HOCHVUVEZCAJBH-CJNGLKHVSA-N 0 3 286.419 3.957 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549171802 334186966 /nfs/dbraw/zinc/18/69/66/334186966.db2.gz PJKFILJIULMCQL-LBPRGKRZSA-N 0 3 288.357 3.981 20 30 CHEDHN C=CCOCCN1CCC[C@H]1Cc1ccccc1Cl ZINC000549367127 334191472 /nfs/dbraw/zinc/19/14/72/334191472.db2.gz ZGCPFFXGHFAUHB-HNNXBMFYSA-N 0 3 279.811 3.550 20 30 CHEDHN C=CCOCCN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000549464141 334194633 /nfs/dbraw/zinc/19/46/33/334194633.db2.gz JRLHHXDANZBSEP-HXUWFJFHSA-N 0 3 293.410 3.989 20 30 CHEDHN CC(C)Oc1ccccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000549536217 334196705 /nfs/dbraw/zinc/19/67/05/334196705.db2.gz PJLZHLSPQPFJOZ-SOUVJXGZSA-N 0 3 272.392 3.817 20 30 CHEDHN CC1(C)CN(CC#Cc2ccc(F)cc2)[C@@H]2CCC[C@@H]21 ZINC000550433078 334222477 /nfs/dbraw/zinc/22/24/77/334222477.db2.gz DDSLQFWRMJJXTL-DLBZAZTESA-N 0 3 271.379 3.688 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)NCc1ccn(Cc2ccccc2)n1 ZINC000551814190 334262746 /nfs/dbraw/zinc/26/27/46/334262746.db2.gz VSXVFLDOSPILAZ-CVEARBPZSA-N 0 3 283.419 3.622 20 30 CHEDHN C[C@@H](Cc1ccccc1F)NC1(c2cccc(C#N)c2)CC1 ZINC000551813963 334262856 /nfs/dbraw/zinc/26/28/56/334262856.db2.gz ZBTDCXRZBPCBNC-AWEZNQCLSA-N 0 3 294.373 3.907 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000248224973 334297196 /nfs/dbraw/zinc/29/71/96/334297196.db2.gz IWPRTMHXKWCZPP-UHFFFAOYSA-N 0 3 281.783 3.509 20 30 CHEDHN Cc1cccnc1[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000248832800 334318995 /nfs/dbraw/zinc/31/89/95/334318995.db2.gz MSSQUBSLDOCEBQ-OWCLPIDISA-N 0 3 271.408 3.759 20 30 CHEDHN CO[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000248924889 334322135 /nfs/dbraw/zinc/32/21/35/334322135.db2.gz XBLQUDMYSZWQHQ-DAXOMENPSA-N 0 3 292.810 3.699 20 30 CHEDHN CC(C)CC[C@@H]1CCC[C@H]1NC[C@@H](C#N)CCC#N ZINC000249093588 334327407 /nfs/dbraw/zinc/32/74/07/334327407.db2.gz TTXJMFFZCNYEJV-OWCLPIDISA-N 0 3 261.413 3.624 20 30 CHEDHN CC1(C)c2ccccc2CCN1Cc1cccc(C#N)c1 ZINC000553007160 334356158 /nfs/dbraw/zinc/35/61/58/334356158.db2.gz JABCERQXNGHLBN-UHFFFAOYSA-N 0 3 276.383 3.852 20 30 CHEDHN C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000252812588 334394270 /nfs/dbraw/zinc/39/42/70/334394270.db2.gz QHXGWGWMKPXROT-NEPJUHHUSA-N 0 3 262.784 3.832 20 30 CHEDHN CC[C@H](CC#N)NCCc1ccc2ccccc2c1 ZINC000565959120 334612302 /nfs/dbraw/zinc/61/23/02/334612302.db2.gz IYVUNAHVQVYENS-QGZVFWFLSA-N 0 3 252.361 3.664 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1ncc(CC)s1 ZINC000567057969 334677377 /nfs/dbraw/zinc/67/73/77/334677377.db2.gz YZDDLNGOJHRPKL-GFCCVEGCSA-N 0 3 252.427 3.930 20 30 CHEDHN COc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CCC2 ZINC000267127185 334694948 /nfs/dbraw/zinc/69/49/48/334694948.db2.gz VDPONBWTXNZOQM-LJQANCHMSA-N 0 3 292.382 3.734 20 30 CHEDHN CC#CCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000155083700 334712838 /nfs/dbraw/zinc/71/28/38/334712838.db2.gz WPBUVELVSCANDE-UHFFFAOYSA-N 0 3 284.428 3.889 20 30 CHEDHN N#CCCC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000567906210 334774145 /nfs/dbraw/zinc/77/41/45/334774145.db2.gz ORXMMIYHBAVCMJ-RQOWECAXSA-N 0 3 290.357 3.994 20 30 CHEDHN C=CCCC[C@@H](C)NCc1cc(OC)c(OC)cc1F ZINC000568030125 334785873 /nfs/dbraw/zinc/78/58/73/334785873.db2.gz JMYMKNKZAGDWCM-GFCCVEGCSA-N 0 3 281.371 3.677 20 30 CHEDHN C=CCCCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000573059841 334904569 /nfs/dbraw/zinc/90/45/69/334904569.db2.gz DMFFHSSJLMYVKI-GOSISDBHSA-N 0 3 296.414 3.536 20 30 CHEDHN C[C@H](CNCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000576386192 335196934 /nfs/dbraw/zinc/19/69/34/335196934.db2.gz GUPRTRCANWFQJX-LLVKDONJSA-N 0 3 282.309 3.702 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000576894267 335261652 /nfs/dbraw/zinc/26/16/52/335261652.db2.gz NEEGOBXTWXVCBR-ZFWWWQNUSA-N 0 3 274.795 3.869 20 30 CHEDHN CCCOC1(CNCc2ccc(C#N)s2)CCCCC1 ZINC000580621122 335304693 /nfs/dbraw/zinc/30/46/93/335304693.db2.gz BLVWEBVBPAUPKZ-UHFFFAOYSA-N 0 3 292.448 3.839 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000577146599 335308518 /nfs/dbraw/zinc/30/85/18/335308518.db2.gz HHOSHHLDAWSCQJ-GOEBONIOSA-N 0 3 288.822 3.945 20 30 CHEDHN CCc1cc(OC)ccc1CN1CCC(CCC#N)CC1 ZINC000577374766 335344311 /nfs/dbraw/zinc/34/43/11/335344311.db2.gz KKPDITKCMQJJSG-UHFFFAOYSA-N 0 3 286.419 3.773 20 30 CHEDHN CSc1ccccc1CN1CCC(CCC#N)CC1 ZINC000577509100 335362335 /nfs/dbraw/zinc/36/23/35/335362335.db2.gz BLMPHBFVFSVWPW-UHFFFAOYSA-N 0 3 274.433 3.924 20 30 CHEDHN C=CCSCCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000180458620 335585464 /nfs/dbraw/zinc/58/54/64/335585464.db2.gz FKPJDSRNBKPZON-SECBINFHSA-N 0 3 275.339 3.674 20 30 CHEDHN N#Cc1ccc(CNC[C@H](c2ccccc2)C2CC2)c(F)c1 ZINC000581002955 335994569 /nfs/dbraw/zinc/99/45/69/335994569.db2.gz LVAJCCXLFBHGDA-GOSISDBHSA-N 0 3 294.373 3.981 20 30 CHEDHN C=CCCCCCNCc1ccc(Br)o1 ZINC000382156261 336083303 /nfs/dbraw/zinc/08/33/03/336083303.db2.gz GNWRGCCLGOFTHC-UHFFFAOYSA-N 0 3 272.186 3.878 20 30 CHEDHN COc1cc(CN(C)[C@H](C)c2ccccc2)ccc1C#N ZINC000383687038 336116579 /nfs/dbraw/zinc/11/65/79/336116579.db2.gz BQJYDYHJPVWDNK-CQSZACIVSA-N 0 3 280.371 3.760 20 30 CHEDHN C=C(C)CCNCc1nc(-c2ccccc2)cs1 ZINC000386829233 336180265 /nfs/dbraw/zinc/18/02/65/336180265.db2.gz VOWOOLHCDACRIB-UHFFFAOYSA-N 0 3 258.390 3.866 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1CC12CCCC2 ZINC000387119425 336185771 /nfs/dbraw/zinc/18/57/71/336185771.db2.gz KCTZLLGZYXOFIP-MRXNPFEDSA-N 0 3 257.377 3.674 20 30 CHEDHN COc1cc(CN[C@@H]2C[C@H](C)c3ccccc32)ccc1C#N ZINC000353608275 533899885 /nfs/dbraw/zinc/89/98/85/533899885.db2.gz IIFYWYACBLRCIT-SCLBCKFNSA-N 0 3 292.382 3.905 20 30 CHEDHN CN(C)[C@@H]1CCOc2c(N[C@H]3CCC[C@H](C#N)C3)cccc21 ZINC000435041831 517911808 /nfs/dbraw/zinc/91/18/08/517911808.db2.gz KUJKWSLTHQDYKZ-GRDNDAEWSA-N 0 3 299.418 3.566 20 30 CHEDHN CCCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000037505851 520369838 /nfs/dbraw/zinc/36/98/38/520369838.db2.gz CUGNFWJXWMBWTH-UHFFFAOYSA-N 0 3 280.371 3.637 20 30 CHEDHN CC1CCC(N(C)Cc2cn3ccccc3c2C#N)CC1 ZINC000338393987 520937666 /nfs/dbraw/zinc/93/76/66/520937666.db2.gz FOZLTZFCWJLDLM-UHFFFAOYSA-N 0 3 281.403 3.821 20 30 CHEDHN CCOc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000037679616 521371116 /nfs/dbraw/zinc/37/11/16/521371116.db2.gz SDZCLKNQTQJRAC-AWEZNQCLSA-N 0 3 280.371 3.808 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)cn1 ZINC000156117172 521682800 /nfs/dbraw/zinc/68/28/00/521682800.db2.gz PXNAMVKHRKJZCC-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN COc1cc(CNCc2ccc3occc3c2)ccc1C#N ZINC000353218163 522463972 /nfs/dbraw/zinc/46/39/72/522463972.db2.gz JHSDIKSIZGJFHY-UHFFFAOYSA-N 0 3 292.338 3.603 20 30 CHEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)s1 ZINC000276958099 522638188 /nfs/dbraw/zinc/63/81/88/522638188.db2.gz LLIHUEIICCKIRK-LBPRGKRZSA-N 0 3 293.823 3.853 20 30 CHEDHN CC[C@H](NCc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000151372996 522651408 /nfs/dbraw/zinc/65/14/08/522651408.db2.gz ULJBQSSERZOURL-SFHVURJKSA-N 0 3 280.371 3.808 20 30 CHEDHN COCc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271983324 523056586 /nfs/dbraw/zinc/05/65/86/523056586.db2.gz ZJBJAVSNHCYUGM-CYBMUJFWSA-N 0 3 298.361 3.695 20 30 CHEDHN CCc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000034979755 524046486 /nfs/dbraw/zinc/04/64/86/524046486.db2.gz DMOJEWZWAOCWQK-AWEZNQCLSA-N 0 3 264.372 3.971 20 30 CHEDHN C[C@@H]1CC[C@@]2(CCN(Cc3cc(C#N)cs3)C2)C1 ZINC000359295377 524626869 /nfs/dbraw/zinc/62/68/69/524626869.db2.gz OTQUZKNCULIRNZ-IUODEOHRSA-N 0 3 260.406 3.632 20 30 CHEDHN Cc1ccccc1CN(Cc1ccccc1)C(=O)C(C)C#N ZINC000344911924 534811466 /nfs/dbraw/zinc/81/14/66/534811466.db2.gz SDLINHNSPTVHJL-INIZCTEOSA-N 0 3 292.382 3.684 20 30 CHEDHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C#N)o1 ZINC000127567713 524942000 /nfs/dbraw/zinc/94/20/00/524942000.db2.gz SVNMNYXNYMRTOW-ZFWWWQNUSA-N 0 3 266.344 3.529 20 30 CHEDHN C=CCN(CC[C@H]1CCCCO1)Cc1cccs1 ZINC000347389380 526306883 /nfs/dbraw/zinc/30/68/83/526306883.db2.gz DXLJGMFLMKXMQL-CQSZACIVSA-N 0 3 265.422 3.695 20 30 CHEDHN C=C(C)CN1CCC(Nc2nc3ccccc3cc2C)CC1 ZINC000301741071 526607010 /nfs/dbraw/zinc/60/70/10/526607010.db2.gz XWGYFPLWGOPNFG-UHFFFAOYSA-N 0 3 295.430 3.996 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000061328209 526624784 /nfs/dbraw/zinc/62/47/84/526624784.db2.gz KEIMPEINEZLRAQ-OAHLLOKOSA-N 0 3 268.385 3.787 20 30 CHEDHN C=C(C)CNCc1ccc(OCc2csc(C)n2)cc1 ZINC000352856382 526625436 /nfs/dbraw/zinc/62/54/36/526625436.db2.gz GRXGWXVOKCLEQI-UHFFFAOYSA-N 0 3 288.416 3.696 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000061328211 526626026 /nfs/dbraw/zinc/62/60/26/526626026.db2.gz KEIMPEINEZLRAQ-HNNXBMFYSA-N 0 3 268.385 3.787 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000266203599 526626974 /nfs/dbraw/zinc/62/69/74/526626974.db2.gz MBUSWQZGLVUUBM-SJORKVTESA-N 0 3 266.344 3.577 20 30 CHEDHN N#Cc1cccc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000084137890 526701698 /nfs/dbraw/zinc/70/16/98/526701698.db2.gz AZIBCSQGBDMQED-UHFFFAOYSA-N 0 3 282.309 3.723 20 30 CHEDHN C=C(CN[C@H](C)c1cncc(F)c1)c1ccccc1 ZINC000346778050 526882806 /nfs/dbraw/zinc/88/28/06/526882806.db2.gz LPUZWCRUIJCNIY-CYBMUJFWSA-N 0 3 256.324 3.585 20 30 CHEDHN C=CC[C@H](C)NCc1c(F)cccc1Br ZINC000192573563 527138411 /nfs/dbraw/zinc/13/84/11/527138411.db2.gz WFEBPTDSQLBMJK-VIFPVBQESA-N 0 3 272.161 3.642 20 30 CHEDHN C=CC[C@H](C)N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346620435 527139576 /nfs/dbraw/zinc/13/95/76/527139576.db2.gz IJFFVMFTJLYKBX-SUMWQHHRSA-N 0 3 270.351 3.864 20 30 CHEDHN C=CCC[C@H](NCc1c(C)cnn1C)c1ccccc1 ZINC000352756718 527485863 /nfs/dbraw/zinc/48/58/63/527485863.db2.gz CQALQXWLJZDFLN-INIZCTEOSA-N 0 3 269.392 3.526 20 30 CHEDHN CC(C)CCOc1ccc(CNCCCC#N)cc1 ZINC000344332858 527777010 /nfs/dbraw/zinc/77/70/10/527777010.db2.gz ZVSSPEHKQVVGLN-UHFFFAOYSA-N 0 3 260.381 3.505 20 30 CHEDHN CCC[C@H](NCc1ccc(C#N)c(OC)c1)c1cccnc1 ZINC000353625204 528226598 /nfs/dbraw/zinc/22/65/98/528226598.db2.gz RUSQIZPEWPKERJ-KRWDZBQOSA-N 0 3 295.386 3.593 20 30 CHEDHN CCC(CC)CN(CCC#N)CC[C@@H]1CCCCO1 ZINC000347449547 528749980 /nfs/dbraw/zinc/74/99/80/528749980.db2.gz WZANCBQYKOZORN-INIZCTEOSA-N 0 3 266.429 3.597 20 30 CHEDHN CCS[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000344726223 529231178 /nfs/dbraw/zinc/23/11/78/529231178.db2.gz QREPDHKZHHDWSM-GJZGRUSLSA-N 0 3 292.423 3.851 20 30 CHEDHN COc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341757803 537048582 /nfs/dbraw/zinc/04/85/82/537048582.db2.gz LMIKZUMVYHXSNY-GOSISDBHSA-N 0 3 292.382 3.734 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894418 946503931 /nfs/dbraw/zinc/50/39/31/946503931.db2.gz PNWREMRLFRFFER-ZIAGYGMSSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894418 946503938 /nfs/dbraw/zinc/50/39/38/946503938.db2.gz PNWREMRLFRFFER-ZIAGYGMSSA-N 0 3 299.422 3.652 20 30 CHEDHN N#CCc1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000399153043 1118764908 /nfs/dbraw/zinc/76/49/08/1118764908.db2.gz CAIBZGRAJGSNBD-UHFFFAOYSA-N 0 3 276.792 3.757 20 30 CHEDHN CN(CCCc1ccsc1)Cc1cc(C#N)cs1 ZINC000933773833 1118794311 /nfs/dbraw/zinc/79/43/11/1118794311.db2.gz ROZITVPFWWSNCS-UHFFFAOYSA-N 0 3 276.430 3.746 20 30 CHEDHN C=CC[C@H](NCc1csc(C)c1)c1ccncc1 ZINC000823887281 1131447198 /nfs/dbraw/zinc/44/71/98/1131447198.db2.gz DWMXWPMOOAXQTR-HNNXBMFYSA-N 0 3 258.390 3.859 20 30 CHEDHN Cc1nc2ccc(Nc3c(C)cc(C#N)cc3C#N)cc2[nH]1 ZINC001213075146 1125488303 /nfs/dbraw/zinc/48/83/03/1125488303.db2.gz GHGIONASSFNBQR-UHFFFAOYSA-N 0 3 287.326 3.667 20 30 CHEDHN CCCCCCCCN1CCCCC[C@@H]1C(=O)OC ZINC001193273740 1122683464 /nfs/dbraw/zinc/68/34/64/1122683464.db2.gz WFDKKLPAJRWOQF-OAHLLOKOSA-N 0 3 269.429 3.765 20 30 CHEDHN CCSCC[C@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000440368730 1122842262 /nfs/dbraw/zinc/84/22/62/1122842262.db2.gz UJDVPDJXINHUFL-AWEZNQCLSA-N 0 3 279.424 3.641 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1nc2c(s1)CCC2 ZINC000776254741 1123179423 /nfs/dbraw/zinc/17/94/23/1123179423.db2.gz LGQVOPSDLHAQOV-GFCCVEGCSA-N 0 3 264.438 3.856 20 30 CHEDHN C=CCN(Cc1cc(Br)c(C)cn1)C(C)(C)C ZINC001143667828 1131521903 /nfs/dbraw/zinc/52/19/03/1131521903.db2.gz AUEQWACJDOKDMC-UHFFFAOYSA-N 0 3 297.240 3.939 20 30 CHEDHN CCCCCCCC[C@H](CC)n1cc(CN)cnc1=N ZINC001172503641 1132252977 /nfs/dbraw/zinc/25/29/77/1132252977.db2.gz SPESKDGTSDFZOR-HNNXBMFYSA-N 0 3 278.444 3.523 20 30 CHEDHN C#CC1(N[C@@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172880784 1132357241 /nfs/dbraw/zinc/35/72/41/1132357241.db2.gz VBUULCFRDXCUAU-NSHDSACASA-N 0 3 265.809 3.576 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc(C(=O)OC)o1 ZINC001142624756 1132414643 /nfs/dbraw/zinc/41/46/43/1132414643.db2.gz IJRBFEWJGCSIPC-UHFFFAOYSA-N 0 3 281.396 3.859 20 30 CHEDHN N#CCC1CCC(N[C@H](CF)c2ccccc2)CC1 ZINC001173330281 1132464090 /nfs/dbraw/zinc/46/40/90/1132464090.db2.gz NFTAFSZNZKIQGD-AVVWSFFYSA-N 0 3 260.356 3.759 20 30 CHEDHN CCCCCCC/C=C/CN1CCN(CCCOC)CC1 ZINC001208119043 1133879405 /nfs/dbraw/zinc/87/94/05/1133879405.db2.gz VSIIIEICSOEIRF-MDZDMXLPSA-N 0 3 296.499 3.557 20 30 CHEDHN C=CCC1(O)CCN(c2c(C)cnc3c(C)cccc32)CC1 ZINC000884724459 1125590380 /nfs/dbraw/zinc/59/03/80/1125590380.db2.gz UKWNMEWVXZBDEA-UHFFFAOYSA-N 0 3 296.414 3.759 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000533437361 1125607784 /nfs/dbraw/zinc/60/77/84/1125607784.db2.gz IZYLKNPCOPETHM-LBPRGKRZSA-N 0 3 280.799 3.565 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000076735258 1125684540 /nfs/dbraw/zinc/68/45/40/1125684540.db2.gz WPDHOULVVRAKCA-CYBMUJFWSA-N 0 3 292.448 3.634 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000886541302 1125686770 /nfs/dbraw/zinc/68/67/70/1125686770.db2.gz TYKSRQJNUBRKQQ-CXAGYDPISA-N 0 3 266.344 3.734 20 30 CHEDHN N#CC1(CCN2CCC[C@@H](c3ncccn3)C2)CCCCC1 ZINC000886688160 1125708460 /nfs/dbraw/zinc/70/84/60/1125708460.db2.gz LPPLMJCIENPZBK-MRXNPFEDSA-N 0 3 298.434 3.520 20 30 CHEDHN CCCC[C@H](COC)N[C@H](CCC#N)c1ccccc1 ZINC000090665300 1125743975 /nfs/dbraw/zinc/74/39/75/1125743975.db2.gz WHINXKKRHNSEEF-IAGOWNOFSA-N 0 3 274.408 3.826 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ncccc1C ZINC000093159065 1125767169 /nfs/dbraw/zinc/76/71/69/1125767169.db2.gz WDBNWYVYJRREMQ-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN C[C@H](CC#N)NCC/C=C\c1ccc(Br)cc1 ZINC000600603622 1126722540 /nfs/dbraw/zinc/72/25/40/1126722540.db2.gz NUSPVKPKVWHHQU-DTRQGZQOSA-N 0 3 293.208 3.744 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000482148824 1126743133 /nfs/dbraw/zinc/74/31/33/1126743133.db2.gz LHUSFKGSCAEMIQ-UHFFFAOYSA-N 0 3 299.370 3.741 20 30 CHEDHN C#CCCCCNCc1c(F)cccc1OC(F)(F)F ZINC000790552954 1130319406 /nfs/dbraw/zinc/31/94/06/1130319406.db2.gz FZIDEXOKYNKKHT-UHFFFAOYSA-N 0 3 289.272 3.617 20 30 CHEDHN N#CCCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000152730199 1126757359 /nfs/dbraw/zinc/75/73/59/1126757359.db2.gz DKPPUASXMHKOSI-CYBMUJFWSA-N 0 3 289.448 3.505 20 30 CHEDHN N#Cc1ccc(CN(CC2CC2)C2CCC2)c(Cl)c1 ZINC000483302182 1126780033 /nfs/dbraw/zinc/78/00/33/1126780033.db2.gz IRJMHWCZFNLBSU-UHFFFAOYSA-N 0 3 274.795 3.976 20 30 CHEDHN C#CCN(CC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000746456854 1126789851 /nfs/dbraw/zinc/78/98/51/1126789851.db2.gz NZVOVRCBUPDLLS-UHFFFAOYSA-N 0 3 274.367 3.680 20 30 CHEDHN COc1ccc([C@H](NCc2ccc(C#N)s2)C2CC2)cc1 ZINC000176943731 1126795560 /nfs/dbraw/zinc/79/55/60/1126795560.db2.gz NGYPHFXZEIAQTF-QGZVFWFLSA-N 0 3 298.411 3.869 20 30 CHEDHN C[C@H](NCC#Cc1ccccc1)c1ccc2ncsc2c1 ZINC000483711288 1126798628 /nfs/dbraw/zinc/79/86/28/1126798628.db2.gz OHWJJSGHBVPALR-AWEZNQCLSA-N 0 3 292.407 3.999 20 30 CHEDHN CC(C)(NCc1ccc(C#N)c(F)c1)c1cccs1 ZINC000483735754 1126798916 /nfs/dbraw/zinc/79/89/16/1126798916.db2.gz ZSNVPKLRCHPXBL-UHFFFAOYSA-N 0 3 274.364 3.784 20 30 CHEDHN COc1ccccc1C[C@@H](C)N(C)CC#Cc1ccccc1 ZINC000483967169 1126806438 /nfs/dbraw/zinc/80/64/38/1126806438.db2.gz RKLSWPIEQBXVJM-QGZVFWFLSA-N 0 3 293.410 3.610 20 30 CHEDHN C=CCc1cc(CN2C[C@@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000668299366 1126808314 /nfs/dbraw/zinc/80/83/14/1126808314.db2.gz BOQXUMHGLVSQBE-HOTGVXAUSA-N 0 3 287.403 3.504 20 30 CHEDHN C=CCOc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1OC ZINC000668299787 1126808847 /nfs/dbraw/zinc/80/88/47/1126808847.db2.gz SQAWGENDWVYQJJ-HOTGVXAUSA-N 0 3 287.403 3.634 20 30 CHEDHN CC[C@@H](CC#N)N1CCC[C@H](c2ccccc2)CC1 ZINC001255175942 1130552142 /nfs/dbraw/zinc/55/21/42/1130552142.db2.gz TZKVRYICECSUGD-IRXDYDNUSA-N 0 3 256.393 3.948 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1csc(N(C)C)n1 ZINC000793535025 1130565880 /nfs/dbraw/zinc/56/58/80/1130565880.db2.gz OLTKYAPWDBMXDM-ZDUSSCGKSA-N 0 3 281.469 3.824 20 30 CHEDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000179561306 1126829303 /nfs/dbraw/zinc/82/93/03/1126829303.db2.gz QGHPYGNZPPALFN-AWEZNQCLSA-N 0 3 280.371 3.847 20 30 CHEDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000179561306 1126829307 /nfs/dbraw/zinc/82/93/07/1126829307.db2.gz QGHPYGNZPPALFN-AWEZNQCLSA-N 0 3 280.371 3.847 20 30 CHEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)[C@H](C)C2 ZINC000181147731 1126852813 /nfs/dbraw/zinc/85/28/13/1126852813.db2.gz VDXWSZYSEABNQY-PXAZEXFGSA-N 0 3 282.412 3.951 20 30 CHEDHN CC(NCCCC#N)(c1ccccc1)c1ccccc1 ZINC000182214137 1126868568 /nfs/dbraw/zinc/86/85/68/1126868568.db2.gz HUJQGKXKKXAAJI-UHFFFAOYSA-N 0 3 264.372 3.843 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccn1 ZINC000148954600 1126899663 /nfs/dbraw/zinc/89/96/63/1126899663.db2.gz XITHCBFKILDRGN-JJXSEGSLSA-N 0 3 282.387 3.864 20 30 CHEDHN N#Cc1cccc(CNCc2ccc(OCC3CC3)cc2)c1 ZINC000190749880 1126944047 /nfs/dbraw/zinc/94/40/47/1126944047.db2.gz GMBMKYYMYLBYPO-UHFFFAOYSA-N 0 3 292.382 3.637 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@H](CO)c1ccc(F)cc1F ZINC000668757120 1127024264 /nfs/dbraw/zinc/02/42/64/1127024264.db2.gz ZBYRDHKHUWZXST-MLGOLLRUSA-N 0 3 283.362 3.723 20 30 CHEDHN Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000269613867 1127043517 /nfs/dbraw/zinc/04/35/17/1127043517.db2.gz NLSCYIRKKYNFMR-UHFFFAOYSA-N 0 3 262.356 3.646 20 30 CHEDHN C=C(CC)CN[C@H](COC)c1ccc(Cl)cc1 ZINC000488801004 1127083430 /nfs/dbraw/zinc/08/34/30/1127083430.db2.gz UGIMNHYJYXSCAA-CQSZACIVSA-N 0 3 253.773 3.583 20 30 CHEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000912352602 1127096356 /nfs/dbraw/zinc/09/63/56/1127096356.db2.gz NZBFSEPBRPTESI-IUODEOHRSA-N 0 3 294.826 3.543 20 30 CHEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000912353787 1127096537 /nfs/dbraw/zinc/09/65/37/1127096537.db2.gz UQFKFYFEKBZIOZ-IUODEOHRSA-N 0 3 294.826 3.543 20 30 CHEDHN C=C[C@H](COC)N[C@@H](CC)c1ccc(OC(F)F)cc1 ZINC001320592982 1127108918 /nfs/dbraw/zinc/10/89/18/1127108918.db2.gz VPOPMVHFJKPBNB-OCCSQVGLSA-N 0 3 285.334 3.530 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCSc3c(F)cccc32)C1 ZINC000349339459 1127148237 /nfs/dbraw/zinc/14/82/37/1127148237.db2.gz CXALVOKXHITRNU-GYSYKLTISA-N 0 3 276.380 3.644 20 30 CHEDHN C=CCCOCCN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000349774716 1127160198 /nfs/dbraw/zinc/16/01/98/1127160198.db2.gz ISYAKFSZURQUFM-MRXNPFEDSA-N 0 3 263.381 3.612 20 30 CHEDHN CCCCCCCC(C)(C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001274801226 1127185584 /nfs/dbraw/zinc/18/55/84/1127185584.db2.gz AKQDQBSUIBRMTI-JKSUJKDBSA-N 0 3 294.483 3.536 20 30 CHEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000284514256 1127187698 /nfs/dbraw/zinc/18/76/98/1127187698.db2.gz VWFMORPUWQWWLZ-GOSISDBHSA-N 0 3 292.382 3.525 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cc(C)cc(C)c2Cl)C1 ZINC001237702221 1131129275 /nfs/dbraw/zinc/12/92/75/1131129275.db2.gz PTKJMBRCIINWQE-AWEZNQCLSA-N 0 3 261.796 3.802 20 30 CHEDHN COC1([C@@H](C)NCc2ccc(C#N)cc2F)CCCCC1 ZINC000591531569 1127200678 /nfs/dbraw/zinc/20/06/78/1127200678.db2.gz JODHEEBMJBDMFA-CYBMUJFWSA-N 0 3 290.382 3.525 20 30 CHEDHN C=CCN(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000588899131 1127203257 /nfs/dbraw/zinc/20/32/57/1127203257.db2.gz VITOLXLNLWHQIZ-UHFFFAOYSA-N 0 3 297.398 3.892 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000589342224 1127218551 /nfs/dbraw/zinc/21/85/51/1127218551.db2.gz WHSKTNVNJPKXOG-ACJLOTCBSA-N 0 3 277.371 3.600 20 30 CHEDHN C=CCC[C@H](NC[C@](C)(O)c1ccsc1)c1ccco1 ZINC000285967142 1127249549 /nfs/dbraw/zinc/24/95/49/1127249549.db2.gz GYGNDXBXSMGZBA-HOCLYGCPSA-N 0 3 291.416 3.846 20 30 CHEDHN Cc1sccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000590186850 1127250972 /nfs/dbraw/zinc/25/09/72/1127250972.db2.gz LQAIRHVQPMWUBT-NSHDSACASA-N 0 3 256.374 3.779 20 30 CHEDHN C=C[C@H](COC)N[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC001116811418 1131164530 /nfs/dbraw/zinc/16/45/30/1131164530.db2.gz RGKGVMXFFWFBCW-XOKHGSTOSA-N 0 3 259.393 3.662 20 30 CHEDHN C=CCC[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccco1 ZINC000286152260 1127261169 /nfs/dbraw/zinc/26/11/69/1127261169.db2.gz OXOWSPQCWNBROD-LSDHHAIUSA-N 0 3 291.391 3.562 20 30 CHEDHN C#CCCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000760820540 1127293928 /nfs/dbraw/zinc/29/39/28/1127293928.db2.gz QHIRTZDKVRXQJM-UHFFFAOYSA-N 0 3 267.347 3.851 20 30 CHEDHN CO[C@@H](CN[C@H](CCC#N)c1ccccc1)CC(C)C ZINC000591375700 1127299831 /nfs/dbraw/zinc/29/98/31/1127299831.db2.gz UBLJTCDXTGYMFS-IAGOWNOFSA-N 0 3 274.408 3.682 20 30 CHEDHN C#CCCN1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000760831638 1127303844 /nfs/dbraw/zinc/30/38/44/1127303844.db2.gz RECYUUGUIOVBFW-AWEZNQCLSA-N 0 3 267.294 3.866 20 30 CHEDHN CCN(CCc1ccccc1)Cc1ccccc1C#N ZINC000045943869 1127317102 /nfs/dbraw/zinc/31/71/02/1127317102.db2.gz PZFBHPGWEBHUCV-UHFFFAOYSA-N 0 3 264.372 3.623 20 30 CHEDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cc(C#N)cs1 ZINC000355204746 1127324789 /nfs/dbraw/zinc/32/47/89/1127324789.db2.gz HXJNNRQIRHQYJN-GJZGRUSLSA-N 0 3 292.448 3.645 20 30 CHEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1cc(C#N)cs1 ZINC000355204748 1127325360 /nfs/dbraw/zinc/32/53/60/1127325360.db2.gz HXJNNRQIRHQYJN-LSDHHAIUSA-N 0 3 292.448 3.645 20 30 CHEDHN C[C@H]1CCCC[C@@H]1OCCN(C)Cc1ccc(C#N)cc1 ZINC000046054169 1127327639 /nfs/dbraw/zinc/32/76/39/1127327639.db2.gz BFSWONAKVSYZKF-YJBOKZPZSA-N 0 3 286.419 3.585 20 30 CHEDHN CC(C)C[C@H]1CCCCCN1Cc1ccncc1C#N ZINC000592072917 1127334568 /nfs/dbraw/zinc/33/45/68/1127334568.db2.gz RIBDXXPEHZIPIQ-QGZVFWFLSA-N 0 3 271.408 3.744 20 30 CHEDHN N#CCCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592189082 1127338504 /nfs/dbraw/zinc/33/85/04/1127338504.db2.gz XZRDZNDJFZZORZ-INIZCTEOSA-N 0 3 252.361 3.683 20 30 CHEDHN CC(C)C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccncc1 ZINC000592389738 1127346322 /nfs/dbraw/zinc/34/63/22/1127346322.db2.gz DINHXYOQLWVROI-GOSISDBHSA-N 0 3 297.377 3.969 20 30 CHEDHN C#Cc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000289270481 1127378964 /nfs/dbraw/zinc/37/89/64/1127378964.db2.gz NLQJZLFIFIIYTQ-UXHICEINSA-N 0 3 291.394 3.678 20 30 CHEDHN C[C@@H]1[C@@H](NCC2(C#N)CCCC2)C[C@@H]1c1ccccc1 ZINC000593653278 1127392770 /nfs/dbraw/zinc/39/27/70/1127392770.db2.gz HFQMCQGTAXPGJX-XIRDDKMYSA-N 0 3 268.404 3.852 20 30 CHEDHN N#CC(C(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccn1 ZINC000046439274 1127401103 /nfs/dbraw/zinc/40/11/03/1127401103.db2.gz ZEPVASKLTNFZGC-LZUXJJCOSA-N 0 3 294.398 3.864 20 30 CHEDHN Cc1cc(CNCc2ccc(C(C)(C)C#N)cc2)cc(C)n1 ZINC000594507400 1127419866 /nfs/dbraw/zinc/41/98/66/1127419866.db2.gz LTFHJCUAQWCOPZ-UHFFFAOYSA-N 0 3 293.414 3.789 20 30 CHEDHN Cc1ccncc1[C@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594516768 1127421062 /nfs/dbraw/zinc/42/10/62/1127421062.db2.gz FNWIQTBGPNAWEJ-HNNXBMFYSA-N 0 3 291.398 3.992 20 30 CHEDHN COc1ccc2c(c1)C[C@@H](NCC1(C#N)CCCCC1)CC2 ZINC000594982123 1127443173 /nfs/dbraw/zinc/44/31/73/1127443173.db2.gz ZLIHOJYRIYJJAJ-KRWDZBQOSA-N 0 3 298.430 3.616 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000595059865 1127447332 /nfs/dbraw/zinc/44/73/32/1127447332.db2.gz QNUZOGWWGNMAEU-NSHDSACASA-N 0 3 270.829 3.695 20 30 CHEDHN C[C@@H]1CC[C@]2(CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC000359306542 1127457862 /nfs/dbraw/zinc/45/78/62/1127457862.db2.gz XFHDKDDUPGTZDX-DYVFJYSZSA-N 0 3 272.367 3.709 20 30 CHEDHN C=CCN(CCOC)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000574999039 1127460032 /nfs/dbraw/zinc/46/00/32/1127460032.db2.gz KZJXMLZVGKQJAH-LBPRGKRZSA-N 0 3 287.325 3.901 20 30 CHEDHN C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@H](CC#N)C1 ZINC000595613426 1127470241 /nfs/dbraw/zinc/47/02/41/1127470241.db2.gz CQAMJACIQONTEP-CHWSQXEVSA-N 0 3 294.345 3.975 20 30 CHEDHN Cc1cc(C#N)ccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000595639539 1127470977 /nfs/dbraw/zinc/47/09/77/1127470977.db2.gz MBMPIIOTKSCQQR-UHFFFAOYSA-N 0 3 289.382 3.763 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000595616105 1127471450 /nfs/dbraw/zinc/47/14/50/1127471450.db2.gz PNGASGMPQNBUHO-CYBMUJFWSA-N 0 3 254.333 3.558 20 30 CHEDHN N#Cc1ccc(CCN2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000595702163 1127472827 /nfs/dbraw/zinc/47/28/27/1127472827.db2.gz HGSRUELNVLTRIS-GOSISDBHSA-N 0 3 280.346 3.687 20 30 CHEDHN CCc1ccc2nccc(N3CCC[C@H](CC#N)C3)c2c1 ZINC000596326519 1127492760 /nfs/dbraw/zinc/49/27/60/1127492760.db2.gz UNFKYVVGFDXHAB-OAHLLOKOSA-N 0 3 279.387 3.927 20 30 CHEDHN CC[C@H](Cc1ccc(C)cc1)NCC1(C#N)CCCC1 ZINC001308846620 1127507768 /nfs/dbraw/zinc/50/77/68/1127507768.db2.gz UXLATASCZNXBGG-QGZVFWFLSA-N 0 3 270.420 3.990 20 30 CHEDHN CC1(C#N)CCC(N[C@@H](CF)c2ccc(F)cc2)CC1 ZINC000601318946 1127521422 /nfs/dbraw/zinc/52/14/22/1127521422.db2.gz VDSKRJDYNCUDBR-PCKAHOCUSA-N 0 3 278.346 3.898 20 30 CHEDHN CC[C@H](Cc1ccc(Cl)cc1)NCC(C)(C)C#N ZINC000597084401 1127527540 /nfs/dbraw/zinc/52/75/40/1127527540.db2.gz ZBEJZWNPKSYYQR-CQSZACIVSA-N 0 3 264.800 3.800 20 30 CHEDHN CCC[C@H](CN1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597232011 1127536047 /nfs/dbraw/zinc/53/60/47/1127536047.db2.gz QSVDSBVLSMLQFI-SJORKVTESA-N 0 3 256.393 3.806 20 30 CHEDHN C=CCN(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000060467854 1127530693 /nfs/dbraw/zinc/53/06/93/1127530693.db2.gz FLLPTRUPUOLAGS-UHFFFAOYSA-N 0 3 292.382 3.625 20 30 CHEDHN N#Cc1c(F)cccc1CNC1CCC2(CC2(F)F)CC1 ZINC000602028828 1127557446 /nfs/dbraw/zinc/55/74/46/1127557446.db2.gz QNSSXRIPFBGUQL-UHFFFAOYSA-N 0 3 294.320 3.755 20 30 CHEDHN C[C@H](CCC#N)CN(C)Cc1ccc(F)cc1Cl ZINC000602472337 1127583270 /nfs/dbraw/zinc/58/32/70/1127583270.db2.gz FHJFCHZNWATGFF-LLVKDONJSA-N 0 3 268.763 3.851 20 30 CHEDHN C[C@@H](CCc1c[nH]c2ccccc12)NCC(C)(C)C#N ZINC000602616267 1127597669 /nfs/dbraw/zinc/59/76/69/1127597669.db2.gz TWKWYHUQYLXKOB-ZDUSSCGKSA-N 0 3 269.392 3.628 20 30 CHEDHN C[C@@H](CCC#N)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000602681288 1127606157 /nfs/dbraw/zinc/60/61/57/1127606157.db2.gz NLZOQQKEAOFXQO-DZGCQCFKSA-N 0 3 258.365 3.746 20 30 CHEDHN C[C@@H](CCC#N)CN1CC(c2cccc(Cl)c2)C1 ZINC000602684468 1127606473 /nfs/dbraw/zinc/60/64/73/1127606473.db2.gz YPXBYHQRYWPEFC-LBPRGKRZSA-N 0 3 262.784 3.679 20 30 CHEDHN C=CCCC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602716485 1127608488 /nfs/dbraw/zinc/60/84/88/1127608488.db2.gz JBCRCGAVQKPJNX-UHFFFAOYSA-N 0 3 289.335 3.570 20 30 CHEDHN N#CCC1(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CC1 ZINC000602868402 1127618315 /nfs/dbraw/zinc/61/83/15/1127618315.db2.gz HGFPCXRYMIBDKL-BZSNNMDCSA-N 0 3 296.414 3.675 20 30 CHEDHN COC[C@@H](CC(C)(C)C)N[C@H](C)c1ccc(C#N)cc1F ZINC000593616384 1127637153 /nfs/dbraw/zinc/63/71/53/1127637153.db2.gz ZXPMUEYNHVJECU-TZMCWYRMSA-N 0 3 292.398 3.799 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2csc(C(F)(F)F)c2)C1 ZINC000598976024 1127649211 /nfs/dbraw/zinc/64/92/11/1127649211.db2.gz MDIMRSNJJOLKSH-WPRPVWTQSA-N 0 3 274.311 3.549 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2csc(C(F)(F)F)c2)C1 ZINC000598976022 1127649254 /nfs/dbraw/zinc/64/92/54/1127649254.db2.gz MDIMRSNJJOLKSH-SCZZXKLOSA-N 0 3 274.311 3.549 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000599059175 1127653554 /nfs/dbraw/zinc/65/35/54/1127653554.db2.gz OLNVCGWXNSTAJH-VHDGCEQUSA-N 0 3 290.357 3.836 20 30 CHEDHN Cc1cc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)ccc1C#N ZINC000599515831 1127676615 /nfs/dbraw/zinc/67/66/15/1127676615.db2.gz VLSJSWLGNFOWSW-BETUJISGSA-N 0 3 278.346 3.590 20 30 CHEDHN C=CCCCN1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000605149763 1127730188 /nfs/dbraw/zinc/73/01/88/1127730188.db2.gz LATUBQNFHKPYTH-OAHLLOKOSA-N 0 3 292.854 3.985 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)o1 ZINC000369703911 1127760605 /nfs/dbraw/zinc/76/06/05/1127760605.db2.gz NYVDYDKVMNRJOZ-MQMHXKEQSA-N 0 3 286.762 3.840 20 30 CHEDHN Cc1ccccc1N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000409447326 1127770219 /nfs/dbraw/zinc/77/02/19/1127770219.db2.gz HBAVTNBGSUPFTL-UHFFFAOYSA-N 0 3 299.462 3.837 20 30 CHEDHN CCc1cc(CN(C)Cc2ccc(OC)cc2)ccc1C#N ZINC001238761781 1131241162 /nfs/dbraw/zinc/24/11/62/1131241162.db2.gz XAZHTLCFDQLIIE-UHFFFAOYSA-N 0 3 294.398 3.761 20 30 CHEDHN C[C@@H](CCC#N)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000411700670 1127870739 /nfs/dbraw/zinc/87/07/39/1127870739.db2.gz WVLYBNXJEWMYMW-RYUDHWBXSA-N 0 3 274.330 3.733 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000411984051 1127885020 /nfs/dbraw/zinc/88/50/20/1127885020.db2.gz MPHRLRGBNAKKKH-IBGZPJMESA-N 0 3 292.382 3.602 20 30 CHEDHN CN(CC1(C#N)CC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412004005 1127886159 /nfs/dbraw/zinc/88/61/59/1127886159.db2.gz BSHWEIGZSJIEOG-IRXDYDNUSA-N 0 3 268.404 3.948 20 30 CHEDHN C[C@@H]1CO[C@@H](c2ccccc2)CN1CC1CCC(C#N)CC1 ZINC000929487111 1127910944 /nfs/dbraw/zinc/91/09/44/1127910944.db2.gz DQFVXWNZNWIPGL-RMFNQSEZSA-N 0 3 298.430 3.778 20 30 CHEDHN C[C@@H]1CO[C@H](c2ccccc2)CN1CC1CCC(C#N)CC1 ZINC000929487109 1127910960 /nfs/dbraw/zinc/91/09/60/1127910960.db2.gz DQFVXWNZNWIPGL-JIZBTBOESA-N 0 3 298.430 3.778 20 30 CHEDHN CC(C)(NCc1ccsc1)c1cccc(C#N)c1 ZINC000594967165 1127936565 /nfs/dbraw/zinc/93/65/65/1127936565.db2.gz OCBHRBUMNQDMHY-UHFFFAOYSA-N 0 3 256.374 3.645 20 30 CHEDHN C[C@H]1CN(CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000471049566 1127997173 /nfs/dbraw/zinc/99/71/73/1127997173.db2.gz ZWWCJVMQAIPCAP-KXBFYZLASA-N 0 3 292.382 3.630 20 30 CHEDHN CCC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000468287588 1128001577 /nfs/dbraw/zinc/00/15/77/1128001577.db2.gz RFKLBUZCIXBSPF-ZDUSSCGKSA-N 0 3 260.356 3.709 20 30 CHEDHN CC1(C)CN(Cc2cc(C#N)cs2)CC(C)(C)C1 ZINC000468699468 1128016466 /nfs/dbraw/zinc/01/64/66/1128016466.db2.gz ILXFDEGFVQKIGO-UHFFFAOYSA-N 0 3 262.422 3.878 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(F)ccc1C#N ZINC000468952086 1128029149 /nfs/dbraw/zinc/02/91/49/1128029149.db2.gz LIXQAEFLLVGUJV-IGCXYCKISA-N 0 3 272.367 3.850 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N(Cc2cc(F)ccc2C#N)C1 ZINC000469098123 1128034545 /nfs/dbraw/zinc/03/45/45/1128034545.db2.gz XAAZAOVIUCMFDV-OLZOCXBDSA-N 0 3 260.356 3.708 20 30 CHEDHN N#Cc1ccc(F)cc1CN1CCC[C@H]1Cc1ccccc1 ZINC000469280656 1128039786 /nfs/dbraw/zinc/03/97/86/1128039786.db2.gz VTWQQFQJKXUJKX-IBGZPJMESA-N 0 3 294.373 3.904 20 30 CHEDHN C=CCOCCCN[C@@H](C)c1c(F)cccc1Cl ZINC000470762447 1128076341 /nfs/dbraw/zinc/07/63/41/1128076341.db2.gz TVSFGWKMKFEOKH-NSHDSACASA-N 0 3 271.763 3.722 20 30 CHEDHN C[C@@H](NCc1cccc(N(C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271921782 1128079331 /nfs/dbraw/zinc/07/93/31/1128079331.db2.gz DZUWBAWBXDFWAH-CYBMUJFWSA-N 0 3 297.377 3.614 20 30 CHEDHN C=C(C)CN(CCO[C@H]1CCCCO1)Cc1ccccc1 ZINC000470919258 1128081874 /nfs/dbraw/zinc/08/18/74/1128081874.db2.gz PJDUBIRVICAEDC-SFHVURJKSA-N 0 3 289.419 3.608 20 30 CHEDHN C[C@@H](NCCOCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271992228 1128095540 /nfs/dbraw/zinc/09/55/40/1128095540.db2.gz ZOYVZSCMOJGXSL-CQSZACIVSA-N 0 3 298.361 3.565 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](CCC#N)c1ccccc1 ZINC000925602241 1128133415 /nfs/dbraw/zinc/13/34/15/1128133415.db2.gz SNDKTSCQDHLZAT-GDBMZVCRSA-N 0 3 269.392 3.949 20 30 CHEDHN CCCCCn1cc(CN[C@H](C)CC(C)(C)C#N)c(C)n1 ZINC000925675053 1128137154 /nfs/dbraw/zinc/13/71/54/1128137154.db2.gz SZZGFCKSQTWHRY-CQSZACIVSA-N 0 3 290.455 3.800 20 30 CHEDHN C=CCCC[C@H](C)NCc1nc(CCC)cs1 ZINC000494192424 1128159918 /nfs/dbraw/zinc/15/99/18/1128159918.db2.gz QUVVQVLFXKIIOH-LBPRGKRZSA-N 0 3 252.427 3.930 20 30 CHEDHN C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc([O-])cc(F)c1 ZINC000926427072 1128171802 /nfs/dbraw/zinc/17/18/02/1128171802.db2.gz VBYBRKXMHHQKBS-LLVKDONJSA-N 0 3 264.344 3.512 20 30 CHEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccnnc1 ZINC000926478741 1128173934 /nfs/dbraw/zinc/17/39/34/1128173934.db2.gz CCYFTXAHGPGGLE-PBHICJAKSA-N 0 3 280.375 3.562 20 30 CHEDHN C=CC[C@@H](C)N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000542496377 1128189447 /nfs/dbraw/zinc/18/94/47/1128189447.db2.gz NVAHQSVVJXZKPN-CXAGYDPISA-N 0 3 270.351 3.864 20 30 CHEDHN C=CCCC(C)(C)CN[C@@H]1CCCc2oc(C)nc21 ZINC000926781240 1128194185 /nfs/dbraw/zinc/19/41/85/1128194185.db2.gz MTMGIJJIAHXARR-CYBMUJFWSA-N 0 3 262.397 3.942 20 30 CHEDHN CCCN(Cc1cncc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000929383282 1128272086 /nfs/dbraw/zinc/27/20/86/1128272086.db2.gz QQYRORBXEPUUPY-LJQANCHMSA-N 0 3 291.398 3.853 20 30 CHEDHN COc1cc(C)c(C)cc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238766013 1131243016 /nfs/dbraw/zinc/24/30/16/1131243016.db2.gz HYRSPQSWOCVICP-XGBSXSJOSA-N 0 3 284.403 3.579 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1cccc(C#N)c1 ZINC000930213186 1128307813 /nfs/dbraw/zinc/30/78/13/1128307813.db2.gz KTZUGLIVLULXHE-HNNXBMFYSA-N 0 3 289.382 3.898 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC2(CCCC2=O)CC1 ZINC000931037857 1128344612 /nfs/dbraw/zinc/34/46/12/1128344612.db2.gz JTULBSPNEPZXSU-UHFFFAOYSA-N 0 3 296.414 3.510 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1C ZINC000932574652 1128415957 /nfs/dbraw/zinc/41/59/57/1128415957.db2.gz FKGJZFNDKYRYLE-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN C#CCCCCCN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931803976 1128381923 /nfs/dbraw/zinc/38/19/23/1128381923.db2.gz ZYNNTNDVHJNWBQ-LJQANCHMSA-N 0 3 293.414 3.551 20 30 CHEDHN CCN(CC)c1ccc(C=NNCc2ccccc2)cc1 ZINC000916343935 1128417003 /nfs/dbraw/zinc/41/70/03/1128417003.db2.gz LALXSMACXPUCJW-UHFFFAOYSA-N 0 3 281.403 3.657 20 30 CHEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191760 1128399778 /nfs/dbraw/zinc/39/97/78/1128399778.db2.gz OLHLSKVGBSHRAK-CHWSQXEVSA-N 0 3 289.448 3.503 20 30 CHEDHN C[C@H](CCC#N)N[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933272700 1128432534 /nfs/dbraw/zinc/43/25/34/1128432534.db2.gz OUFJZUHNHKCWBZ-MNOVXSKESA-N 0 3 278.783 3.618 20 30 CHEDHN C#CCOc1cccc(Cl)c1CNCCCCSC ZINC000778169451 1128434844 /nfs/dbraw/zinc/43/48/44/1128434844.db2.gz ROICKDNRDCMXSZ-UHFFFAOYSA-N 0 3 297.851 3.585 20 30 CHEDHN N#CCC1(CN2CCC[C@@]3(C=Cc4ccccc4O3)C2)CC1 ZINC000933656084 1128440061 /nfs/dbraw/zinc/44/00/61/1128440061.db2.gz NDNZPZQHYCQRFY-LJQANCHMSA-N 0 3 294.398 3.621 20 30 CHEDHN CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)CCC#N ZINC000563220108 1128456048 /nfs/dbraw/zinc/45/60/48/1128456048.db2.gz ORHJAHGIXAWQNG-KBPBESRZSA-N 0 3 260.381 3.817 20 30 CHEDHN C=CC[C@H]1CCN1Cc1cc(=O)oc2cc(CC)ccc12 ZINC000934466754 1128460845 /nfs/dbraw/zinc/46/08/45/1128460845.db2.gz MLKKYHVIQYOXJU-HNNXBMFYSA-N 0 3 283.371 3.506 20 30 CHEDHN C=CC[C@@H]1CCN1Cc1cc(=O)oc2cc(CC)ccc12 ZINC000934466757 1128461261 /nfs/dbraw/zinc/46/12/61/1128461261.db2.gz MLKKYHVIQYOXJU-OAHLLOKOSA-N 0 3 283.371 3.506 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000128555023 1128502631 /nfs/dbraw/zinc/50/26/31/1128502631.db2.gz JRSCYVVSQKDKMN-MOPGFXCFSA-N 0 3 299.389 3.832 20 30 CHEDHN CCCCCCCCCCC(=O)N[C@H]1CCCN(C)C1 ZINC000918393757 1128543469 /nfs/dbraw/zinc/54/34/69/1128543469.db2.gz BSKZWQVKKHXDRN-INIZCTEOSA-N 0 3 282.472 3.728 20 30 CHEDHN CCC[C@H](CCc1ccccc1)NCc1nc(C#N)cs1 ZINC000569860541 1128610676 /nfs/dbraw/zinc/61/06/76/1128610676.db2.gz CQWFOXHYLUWHHR-OAHLLOKOSA-N 0 3 299.443 3.906 20 30 CHEDHN C[C@H]1CC[C@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 ZINC000570222505 1128618555 /nfs/dbraw/zinc/61/85/55/1128618555.db2.gz BLYRFFKNOJESTP-HNAYVOBHSA-N 0 3 291.398 3.926 20 30 CHEDHN CCc1cc(CN2CC[C@H](F)C(F)(F)CC2)ccc1C#N ZINC001238766258 1131243172 /nfs/dbraw/zinc/24/31/72/1131243172.db2.gz JRRYWFZYOZGOEW-HNNXBMFYSA-N 0 3 296.336 3.690 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H](C)c1cccc(C)c1 ZINC000157267980 1128651535 /nfs/dbraw/zinc/65/15/35/1128651535.db2.gz JVYFUEMJWNSCBI-INIZCTEOSA-N 0 3 279.383 3.858 20 30 CHEDHN C=CCN(Cc1cccc(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000573240487 1128652423 /nfs/dbraw/zinc/65/24/23/1128652423.db2.gz ZBLDLGXWKXIENU-UHFFFAOYSA-N 0 3 298.430 3.892 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@H](O)c1ccccc1C ZINC000158523211 1128668540 /nfs/dbraw/zinc/66/85/40/1128668540.db2.gz UOBOWSJZZFUNHW-KRWDZBQOSA-N 0 3 287.428 3.778 20 30 CHEDHN C#CCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000920415743 1128680731 /nfs/dbraw/zinc/68/07/31/1128680731.db2.gz HNLFAOZPBDJGEH-UHFFFAOYSA-N 0 3 259.736 3.713 20 30 CHEDHN Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1ccc([O-])c(C#N)c1 ZINC000600779288 1128681157 /nfs/dbraw/zinc/68/11/57/1128681157.db2.gz AFJDAHUBBMHHSM-QGZVFWFLSA-N 0 3 278.355 3.664 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](Sc3ccccc3)C2)o1 ZINC000601156502 1128702251 /nfs/dbraw/zinc/70/22/51/1128702251.db2.gz RYGCCFPRJMYVBC-YGUOUDRMSA-N 0 3 284.384 3.564 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2ncccc21)c1cccc(C#N)c1 ZINC000601267395 1128707506 /nfs/dbraw/zinc/70/75/06/1128707506.db2.gz XGEJWJNOIKLQTH-SCLBCKFNSA-N 0 3 277.371 3.681 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2ncccc21 ZINC000601278351 1128707880 /nfs/dbraw/zinc/70/78/80/1128707880.db2.gz SCEOTPIOWKVEIZ-RTBURBONSA-N 0 3 289.382 3.608 20 30 CHEDHN CC[C@H](NCc1csc(C#N)c1)c1ccc(OC)cc1 ZINC000921488084 1128710326 /nfs/dbraw/zinc/71/03/26/1128710326.db2.gz HLPXVIJNVKWBCZ-INIZCTEOSA-N 0 3 286.400 3.869 20 30 CHEDHN N#Cc1ccc(CNC2(c3ccccc3)CCC2)cc1 ZINC000064343728 1128714721 /nfs/dbraw/zinc/71/47/21/1128714721.db2.gz JVYQFWGERWFRCE-UHFFFAOYSA-N 0 3 262.356 3.727 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C ZINC000579172855 1128739955 /nfs/dbraw/zinc/73/99/55/1128739955.db2.gz UPLQORIBBZWDGD-GHMZBOCLSA-N 0 3 282.309 3.807 20 30 CHEDHN CCCCCCC/C=C/CN1CCN(CC)CC1 ZINC001208120509 1117800495 /nfs/dbraw/zinc/80/04/95/1117800495.db2.gz QUBMGXMHWFWQSO-ZHACJKMWSA-N 0 3 252.446 3.541 20 30 CHEDHN N#Cc1cc(CN2CC[C@@H]3CCC[C@@H]3C2)ccc1Cl ZINC001238188368 1117816437 /nfs/dbraw/zinc/81/64/37/1117816437.db2.gz BKDWBSREVZXIPH-UONOGXRCSA-N 0 3 274.795 3.834 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2cccc(C3CC3)c2)n1 ZINC000654968829 1117825066 /nfs/dbraw/zinc/82/50/66/1117825066.db2.gz NALOWVNNVGFHIN-CQSZACIVSA-N 0 3 282.368 3.819 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000579172856 1128740263 /nfs/dbraw/zinc/74/02/63/1128740263.db2.gz UPLQORIBBZWDGD-MNOVXSKESA-N 0 3 282.309 3.807 20 30 CHEDHN C=CC(C)(C)CCNCc1ncc(C(C)C)s1 ZINC000623592966 1117877929 /nfs/dbraw/zinc/87/79/29/1117877929.db2.gz MIAGMILJOAMJTF-UHFFFAOYSA-N 0 3 252.427 3.958 20 30 CHEDHN C=CCCC[C@@H](C)N[C@@H]1CCCc2scnc21 ZINC000623928425 1117954591 /nfs/dbraw/zinc/95/45/91/1117954591.db2.gz PJDJAOGOFSFUPT-VXGBXAGGSA-N 0 3 250.411 3.855 20 30 CHEDHN N#Cc1ccc(CCN2CCc3ccc(Cl)cc3C2)cc1 ZINC001208920422 1117965689 /nfs/dbraw/zinc/96/56/89/1117965689.db2.gz HNOAIUBNQKKZJX-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN CC(C)(NCc1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000179567487 1128748163 /nfs/dbraw/zinc/74/81/63/1128748163.db2.gz CGCWKJYTANRURN-UHFFFAOYSA-N 0 3 286.325 3.861 20 30 CHEDHN C=CC[C@@H](C)N[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183771651 1118048967 /nfs/dbraw/zinc/04/89/67/1118048967.db2.gz MBFLUIIFYBFIPJ-CXAGYDPISA-N 0 3 270.351 3.864 20 30 CHEDHN CCc1cc(CN(C)Cc2ccc(F)cc2)ccc1C#N ZINC001238766379 1131243253 /nfs/dbraw/zinc/24/32/53/1131243253.db2.gz KZAXTOPCONLSJK-UHFFFAOYSA-N 0 3 282.362 3.892 20 30 CHEDHN C=CCCCCCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC001209438710 1118056589 /nfs/dbraw/zinc/05/65/89/1118056589.db2.gz UALMRSSXDJTUJL-ZDUSSCGKSA-N 0 3 279.346 3.512 20 30 CHEDHN C=CCCCCCCN1CCCC[C@@H]1C(=O)NCCC ZINC001209436014 1118056913 /nfs/dbraw/zinc/05/69/13/1118056913.db2.gz MGVKCSGDWMDQTL-MRXNPFEDSA-N 0 3 280.456 3.504 20 30 CHEDHN C=CCCCCCCCCN1CCCC(=O)CC1 ZINC001209443189 1118060208 /nfs/dbraw/zinc/06/02/08/1118060208.db2.gz OJFCMTZPWIBRNV-UHFFFAOYSA-N 0 3 251.414 3.958 20 30 CHEDHN Cc1cc(Nc2ccnc(C(C)(C)C)c2)cnc1C#N ZINC001210202659 1118195377 /nfs/dbraw/zinc/19/53/77/1118195377.db2.gz ZDDHWNLFVPBMFT-UHFFFAOYSA-N 0 3 266.348 3.698 20 30 CHEDHN C#CCN(Cc1ccc(N(C)C(C)C)nc1)C1CCCCC1 ZINC001204497716 1118226493 /nfs/dbraw/zinc/22/64/93/1118226493.db2.gz SLKNJZOPWVHTNC-UHFFFAOYSA-N 0 3 299.462 3.694 20 30 CHEDHN C=CCC[C@@H](NCCN1Cc2ccccc2C1)c1ccco1 ZINC000671744249 1118330884 /nfs/dbraw/zinc/33/08/84/1118330884.db2.gz BFCRZYDAJWKRRI-GOSISDBHSA-N 0 3 296.414 3.892 20 30 CHEDHN CC[C@H](N[C@@H](C)c1ccnc(OC)c1)c1ccc(C#N)cc1 ZINC000348642784 1118372482 /nfs/dbraw/zinc/37/24/82/1118372482.db2.gz NQZIYYFWVSCKCY-GUYCJALGSA-N 0 3 295.386 3.764 20 30 CHEDHN C=CCCCNCc1csc(-c2ccc(OC)cc2)n1 ZINC000684110019 1118522491 /nfs/dbraw/zinc/52/24/91/1118522491.db2.gz CNEXURKSYKEQAY-UHFFFAOYSA-N 0 3 288.416 3.875 20 30 CHEDHN C=CCN(C)Cc1ccc(SC(F)(F)F)cc1 ZINC000779188254 1128783263 /nfs/dbraw/zinc/78/32/63/1128783263.db2.gz JTFLWSDQSVFCCG-UHFFFAOYSA-N 0 3 261.312 3.916 20 30 CHEDHN C[C@H]1Cc2ccccc2[C@@H]1NCc1cc(C#N)cs1 ZINC000334261649 1118547837 /nfs/dbraw/zinc/54/78/37/1118547837.db2.gz YDRHYZNNWVHDON-MEDUHNTESA-N 0 3 268.385 3.643 20 30 CHEDHN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(C#N)s1 ZINC000334330541 1118549748 /nfs/dbraw/zinc/54/97/48/1118549748.db2.gz OMFJKAWPYKSCOD-BZNIZROVSA-N 0 3 268.385 3.643 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc(C)c2)c1 ZINC000073012408 1118609385 /nfs/dbraw/zinc/60/93/85/1118609385.db2.gz PEUYEFOXYBVLMI-SFHVURJKSA-N 0 3 294.398 3.966 20 30 CHEDHN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1ccc(C#N)cn1 ZINC000926227644 1118768321 /nfs/dbraw/zinc/76/83/21/1118768321.db2.gz GCUGLFOIHZRELB-DYVFJYSZSA-N 0 3 269.392 3.568 20 30 CHEDHN CCn1ccc(CN(C)Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000616785251 1128799878 /nfs/dbraw/zinc/79/98/78/1128799878.db2.gz HEDKCMLLOTWWLT-UHFFFAOYSA-N 0 3 295.430 3.941 20 30 CHEDHN CN(CC[C@H]1CCCC1(F)F)Cc1cc(C#N)cs1 ZINC000933769649 1118792607 /nfs/dbraw/zinc/79/26/07/1118792607.db2.gz BJKNISGOYAZARN-GFCCVEGCSA-N 0 3 284.375 3.877 20 30 CHEDHN Cc1ccc([C@@H](C)N(C)Cc2ccnc(C#N)c2)c(C)c1 ZINC000610991471 1118916803 /nfs/dbraw/zinc/91/68/03/1118916803.db2.gz LMXRSROHBHZIJX-OAHLLOKOSA-N 0 3 279.387 3.763 20 30 CHEDHN N#Cc1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)ccn1 ZINC000610993060 1118919210 /nfs/dbraw/zinc/91/92/10/1118919210.db2.gz BPGNYQOSWYFSAW-LJQANCHMSA-N 0 3 289.382 3.605 20 30 CHEDHN COc1ccccc1[C@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000892097465 1118963440 /nfs/dbraw/zinc/96/34/40/1118963440.db2.gz YGQWTUYQRWFBOS-AWEZNQCLSA-N 0 3 298.411 3.618 20 30 CHEDHN CN(CCCc1ccccc1)Cc1cccc(C#N)c1F ZINC000539235573 1118984457 /nfs/dbraw/zinc/98/44/57/1118984457.db2.gz UPZNZACYFHZMPP-UHFFFAOYSA-N 0 3 282.362 3.762 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(F)cc2)cc1 ZINC000161144747 1119015294 /nfs/dbraw/zinc/01/52/94/1119015294.db2.gz UKLHOUQWEHJNGT-CQSZACIVSA-N 0 3 298.361 3.749 20 30 CHEDHN C=CCCn1cc(CN[C@H](C)CCC2CCCCC2)nn1 ZINC000657362798 1119029143 /nfs/dbraw/zinc/02/91/43/1119029143.db2.gz IMMDWLNRSXCGDS-OAHLLOKOSA-N 0 3 290.455 3.693 20 30 CHEDHN CCc1ccc([C@H]2CCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC000582249828 1119039784 /nfs/dbraw/zinc/03/97/84/1119039784.db2.gz ZYDKXPNJONAOIQ-SFHVURJKSA-N 0 3 291.398 3.505 20 30 CHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cccnc2)cc1 ZINC000158506573 1119065859 /nfs/dbraw/zinc/06/58/59/1119065859.db2.gz OJLFZVDMAJXCME-LSDHHAIUSA-N 0 3 280.371 3.505 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2cccs2)cc1 ZINC000237474000 1119199367 /nfs/dbraw/zinc/19/93/67/1119199367.db2.gz PXFLXYUZOCWWEY-ZDUSSCGKSA-N 0 3 271.385 3.611 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(C)c(F)c2)cc1 ZINC000237473506 1119199396 /nfs/dbraw/zinc/19/93/96/1119199396.db2.gz AEDWMFCQNOUKFZ-HNNXBMFYSA-N 0 3 297.373 3.997 20 30 CHEDHN CC(C)(C#N)CCNC1(c2ccc(Cl)cc2)CC1 ZINC000561719923 1119371533 /nfs/dbraw/zinc/37/15/33/1119371533.db2.gz PDXNHGCKDZOZGJ-UHFFFAOYSA-N 0 3 262.784 3.859 20 30 CHEDHN CC[C@@H](NCc1cncc(C)c1)c1ccc(C#N)cc1 ZINC000575311227 1119455500 /nfs/dbraw/zinc/45/55/00/1119455500.db2.gz OQVAXXIEIIVCFN-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN C=CCOc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000628422105 1128857293 /nfs/dbraw/zinc/85/72/93/1128857293.db2.gz OBJQBHCQIKFENG-UHFFFAOYSA-N 0 3 281.346 3.873 20 30 CHEDHN CN(CCCc1ccccc1)Cc1ccc(C#N)s1 ZINC000179317195 1119710465 /nfs/dbraw/zinc/71/04/65/1119710465.db2.gz BSVPQGSMEMLRDI-UHFFFAOYSA-N 0 3 270.401 3.684 20 30 CHEDHN CN(Cc1ccc(C#N)s1)[C@H]1CCc2ccccc21 ZINC000179908012 1119794345 /nfs/dbraw/zinc/79/43/45/1119794345.db2.gz AHMVWUVIJQVICB-INIZCTEOSA-N 0 3 268.385 3.739 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc(C#N)cc1 ZINC000414135218 1119912137 /nfs/dbraw/zinc/91/21/37/1119912137.db2.gz DKLWGGYVMGXCMX-YVEFUNNKSA-N 0 3 283.350 3.894 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000414305412 1119973707 /nfs/dbraw/zinc/97/37/07/1119973707.db2.gz RSLYWWJKVHOKQX-USXIJHARSA-N 0 3 281.403 3.666 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000659023010 1119993306 /nfs/dbraw/zinc/99/33/06/1119993306.db2.gz RVELMPINJAFYTP-SUMWQHHRSA-N 0 3 299.418 3.546 20 30 CHEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000613540420 1120015728 /nfs/dbraw/zinc/01/57/28/1120015728.db2.gz WATNDBASNHIPGH-HUUCEWRRSA-N 0 3 260.356 3.601 20 30 CHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1 ZINC000131542915 1120017542 /nfs/dbraw/zinc/01/75/42/1120017542.db2.gz SOMDYSRDURDEHZ-WFASDCNBSA-N 0 3 286.375 3.503 20 30 CHEDHN C=CCOc1ccccc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000628422878 1120048333 /nfs/dbraw/zinc/04/83/33/1120048333.db2.gz PVAHIWHGGHPVMU-CVEARBPZSA-N 0 3 289.444 3.721 20 30 CHEDHN C[C@@H](NCC1(C#N)CCCC1)[C@@H](C)c1ccccc1 ZINC000589166732 1120066487 /nfs/dbraw/zinc/06/64/87/1120066487.db2.gz QGFWAMBZZUXZIZ-HUUCEWRRSA-N 0 3 256.393 3.852 20 30 CHEDHN C=CCSCCN[C@@H](C)c1ccc(F)cc1F ZINC000180459239 1120099713 /nfs/dbraw/zinc/09/97/13/1120099713.db2.gz HGENRCUXBCFECI-JTQLQIEISA-N 0 3 257.349 3.535 20 30 CHEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000472769358 1120168179 /nfs/dbraw/zinc/16/81/79/1120168179.db2.gz XZPYIGJSHAHNSR-GFCCVEGCSA-N 0 3 288.218 3.752 20 30 CHEDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cccc(C#N)c1 ZINC000921803219 1120220165 /nfs/dbraw/zinc/22/01/65/1120220165.db2.gz NVTZYHRUJIRQBC-CQSZACIVSA-N 0 3 292.382 3.734 20 30 CHEDHN COc1ccc([C@@H](C)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000073986184 1120226045 /nfs/dbraw/zinc/22/60/45/1120226045.db2.gz VQIZIECFJIGMQM-CQSZACIVSA-N 0 3 280.371 3.760 20 30 CHEDHN CC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccncc1 ZINC000181805999 1120305585 /nfs/dbraw/zinc/30/55/85/1120305585.db2.gz WUCRJYBEIZDTCQ-RDTXWAMCSA-N 0 3 295.386 3.786 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000467199606 1120319786 /nfs/dbraw/zinc/31/97/86/1120319786.db2.gz CCXMZPBLCGCJQY-SFHVURJKSA-N 0 3 298.430 3.872 20 30 CHEDHN C=C1CC(c2noc(-c3ccc(CN4CCCCC4)o3)n2)C1 ZINC000924122791 1120406341 /nfs/dbraw/zinc/40/63/41/1120406341.db2.gz WIMHDYNMZHXQRZ-UHFFFAOYSA-N 0 3 299.374 3.749 20 30 CHEDHN Cc1cc(CN2CCC[C@H]2c2ccc(O)cc2)ccc1C#N ZINC000618593481 1128920855 /nfs/dbraw/zinc/92/08/55/1128920855.db2.gz NVLYZZHEDQNFGR-IBGZPJMESA-N 0 3 292.382 3.909 20 30 CHEDHN CC1(C)[C@H](C(F)(F)F)CCN1Cc1cccc(C#N)c1 ZINC000276243065 1120552728 /nfs/dbraw/zinc/55/27/28/1120552728.db2.gz MGOASLNAWHGQMA-CYBMUJFWSA-N 0 3 282.309 3.721 20 30 CHEDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1ccc(C#N)o1 ZINC000093531923 1120562334 /nfs/dbraw/zinc/56/23/34/1120562334.db2.gz LGLGXBNPRZXONX-LBPRGKRZSA-N 0 3 288.778 3.868 20 30 CHEDHN C=C(Cl)CN[C@H](COCc1ccccc1)C(C)C ZINC000783253238 1120571122 /nfs/dbraw/zinc/57/11/22/1120571122.db2.gz ZTXSATNJXIBQNM-OAHLLOKOSA-N 0 3 267.800 3.570 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccsc1 ZINC000334281653 1120638867 /nfs/dbraw/zinc/63/88/67/1120638867.db2.gz HOFUAWKUVCBCDE-INIZCTEOSA-N 0 3 268.385 3.787 20 30 CHEDHN C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccncc1 ZINC000766019963 1120663789 /nfs/dbraw/zinc/66/37/89/1120663789.db2.gz OAARFCFVZIZPJC-XJKSGUPXSA-N 0 3 296.370 3.778 20 30 CHEDHN CCCCS[C@@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000125060261 1120693801 /nfs/dbraw/zinc/69/38/01/1120693801.db2.gz IVVRAUYOFKYJHU-QWRGUYRKSA-N 0 3 282.434 3.550 20 30 CHEDHN C=CC[C@H]1CC[C@@H](NCc2csc(CC)n2)C1 ZINC000651702239 1120716154 /nfs/dbraw/zinc/71/61/54/1120716154.db2.gz NGHMRRXXKBMRFW-NWDGAFQWSA-N 0 3 250.411 3.540 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccoc2)no1 ZINC000661116379 1120721119 /nfs/dbraw/zinc/72/11/19/1120721119.db2.gz JKKSVYBMPQTKPR-OCCSQVGLSA-N 0 3 287.363 3.554 20 30 CHEDHN C=CC[C@H]1CC[C@@H](NCc2nc(C(F)(F)F)cs2)C1 ZINC000651719696 1120723813 /nfs/dbraw/zinc/72/38/13/1120723813.db2.gz BESPTOLBIQNZIA-VHSXEESVSA-N 0 3 290.354 3.996 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](N[C@H](COC)c2ccc(C)o2)C1 ZINC000651728570 1120729024 /nfs/dbraw/zinc/72/90/24/1120729024.db2.gz CPMPJRPPRPIHLB-RBSFLKMASA-N 0 3 263.381 3.610 20 30 CHEDHN C=CCN(Cc1ccc(C(F)F)cc1)[C@@H](C)COC ZINC000661240094 1120742537 /nfs/dbraw/zinc/74/25/37/1120742537.db2.gz LHOJQGIGNYFVCW-LBPRGKRZSA-N 0 3 269.335 3.647 20 30 CHEDHN COc1ccsc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618802485 1128938325 /nfs/dbraw/zinc/93/83/25/1128938325.db2.gz DXYOVNHUBDCRDB-IAQYHMDHSA-N 0 3 298.411 3.966 20 30 CHEDHN Cc1nc(C)c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618803293 1128939564 /nfs/dbraw/zinc/93/95/64/1128939564.db2.gz HWDXARNZOQLEND-ZBEGNZNMSA-N 0 3 297.427 3.970 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000618807233 1128940952 /nfs/dbraw/zinc/94/09/52/1128940952.db2.gz WSSVNVIHISPYSC-BFUOFWGJSA-N 0 3 287.366 3.768 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccccc1C ZINC000662080747 1120871782 /nfs/dbraw/zinc/87/17/82/1120871782.db2.gz MBMCNRMKEYEGHC-OAGGEKHMSA-N 0 3 284.403 3.505 20 30 CHEDHN C=CCC(C)(C)CNCc1cc(O)ccc1Br ZINC000315276486 1121013399 /nfs/dbraw/zinc/01/33/99/1121013399.db2.gz SXOYLUYUXQLDMP-UHFFFAOYSA-N 0 3 298.224 3.847 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cnn2ccccc12 ZINC000512047130 1121036726 /nfs/dbraw/zinc/03/67/26/1121036726.db2.gz XPRYSQOHZNMPIX-UHFFFAOYSA-N 0 3 291.398 3.565 20 30 CHEDHN C=CC[C@H]1CCN(Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000625702141 1121062230 /nfs/dbraw/zinc/06/22/30/1121062230.db2.gz DLMXCOPRPJLAPY-AWEZNQCLSA-N 0 3 298.386 3.748 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000625705044 1121065469 /nfs/dbraw/zinc/06/54/69/1121065469.db2.gz WTUPCCSEVBLJNW-AWEZNQCLSA-N 0 3 268.360 3.740 20 30 CHEDHN CC(C)(NCCOc1ccc(C#N)cc1)c1ccccc1F ZINC000429228929 1121133458 /nfs/dbraw/zinc/13/34/58/1121133458.db2.gz USNYJPKIGAOGDO-UHFFFAOYSA-N 0 3 298.361 3.601 20 30 CHEDHN Cc1ccc(CNCc2ccc(C)c(C#N)c2)s1 ZINC000701819959 1121170440 /nfs/dbraw/zinc/17/04/40/1121170440.db2.gz IWHSZDSLJMVOTQ-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN C=CC(C)(C)CCNCc1occc1Br ZINC000701864447 1121171543 /nfs/dbraw/zinc/17/15/43/1121171543.db2.gz MXLRHHMIKJNSIO-UHFFFAOYSA-N 0 3 272.186 3.734 20 30 CHEDHN C[C@@H](NCc1ccc2cnccc2c1)c1ccc(C#N)cc1 ZINC000319154878 1121235200 /nfs/dbraw/zinc/23/52/00/1121235200.db2.gz XEPUQRBBZKGAKY-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN N#Cc1ccccc1OCCN1CCC[C@H]1c1ccsc1 ZINC000345209877 1121265068 /nfs/dbraw/zinc/26/50/68/1121265068.db2.gz PPTVYIIZOOEMSS-INIZCTEOSA-N 0 3 298.411 3.836 20 30 CHEDHN N#Cc1cc(NC2=CCN(Cc3ccccc3)CC2)cs1 ZINC001175506200 1121353559 /nfs/dbraw/zinc/35/35/59/1121353559.db2.gz YJYFGFJFDKOQKD-UHFFFAOYSA-N 0 3 295.411 3.821 20 30 CHEDHN COCCN(CC#Cc1ccccc1Cl)C1CCCC1 ZINC000676714728 1121458339 /nfs/dbraw/zinc/45/83/39/1121458339.db2.gz OTRXZJCUYKNMAZ-UHFFFAOYSA-N 0 3 291.822 3.583 20 30 CHEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)Cc1cccc(O)c1 ZINC000614168895 1121500810 /nfs/dbraw/zinc/50/08/10/1121500810.db2.gz DOHRTJHEEGCMHJ-UHFFFAOYSA-N 0 3 294.398 3.825 20 30 CHEDHN C#CCC1(NCc2ncc(CC)s2)CCCCC1 ZINC000922980986 1121504811 /nfs/dbraw/zinc/50/48/11/1121504811.db2.gz FRVMWGNXZWNFBH-UHFFFAOYSA-N 0 3 262.422 3.521 20 30 CHEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC001175983210 1121511645 /nfs/dbraw/zinc/51/16/45/1121511645.db2.gz NGRVJNVJDPPJAJ-GFCCVEGCSA-N 0 3 289.379 3.580 20 30 CHEDHN CC(C)=CCOc1ccc(CC[C@@H](C)NCCC#N)cc1 ZINC000426006212 1121536138 /nfs/dbraw/zinc/53/61/38/1121536138.db2.gz VRQKCPHICDTRRS-MRXNPFEDSA-N 0 3 286.419 3.856 20 30 CHEDHN C=C(C)CCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000509358010 1121547072 /nfs/dbraw/zinc/54/70/72/1121547072.db2.gz NDGPFFOBPUXAGQ-GOSISDBHSA-N 0 3 294.398 3.922 20 30 CHEDHN C=CCCC(C)(C)CNCc1nccn1CC(F)(F)F ZINC000631222924 1128992948 /nfs/dbraw/zinc/99/29/48/1128992948.db2.gz ZFBMPGGZVDNDJW-UHFFFAOYSA-N 0 3 289.345 3.527 20 30 CHEDHN N#CCC1(CNCc2c(Cl)ccc3cccnc32)CC1 ZINC000619530046 1128994415 /nfs/dbraw/zinc/99/44/15/1128994415.db2.gz HMGPPMXKDQQYHT-UHFFFAOYSA-N 0 3 285.778 3.672 20 30 CHEDHN C=C[C@@H](C)NCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000614245663 1121578543 /nfs/dbraw/zinc/57/85/43/1121578543.db2.gz OILRSQFSKDLYSY-CYBMUJFWSA-N 0 3 299.370 3.787 20 30 CHEDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000611300381 1121636913 /nfs/dbraw/zinc/63/69/13/1121636913.db2.gz XGWYNKHITVGCQA-HIFRSBDPSA-N 0 3 279.387 3.982 20 30 CHEDHN CCC[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000611376615 1121641994 /nfs/dbraw/zinc/64/19/94/1121641994.db2.gz YPDOBASFTPWTTH-QGZVFWFLSA-N 0 3 265.360 3.584 20 30 CHEDHN Cc1ccc(F)cc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000611498423 1121652257 /nfs/dbraw/zinc/65/22/57/1121652257.db2.gz QGVXKNVUGRXHSP-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)c2ccccc2n1 ZINC000397628567 1121691094 /nfs/dbraw/zinc/69/10/94/1121691094.db2.gz UWHQTUJQCWSYNU-OAHLLOKOSA-N 0 3 279.387 3.669 20 30 CHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1 ZINC000619673640 1129003296 /nfs/dbraw/zinc/00/32/96/1129003296.db2.gz NZCPQMMRVLNXJP-XIKOKIGWSA-N 0 3 278.355 3.602 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000182318987 1121707556 /nfs/dbraw/zinc/70/75/56/1121707556.db2.gz FHDMJPNRNVOFSY-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN C=CC[C@H](C)NCc1ncc(-c2ccccc2)s1 ZINC001177869624 1121752569 /nfs/dbraw/zinc/75/25/69/1121752569.db2.gz DFPYECYXHSCMGU-LBPRGKRZSA-N 0 3 258.390 3.864 20 30 CHEDHN CC(C)c1ccc(CNCC2(CC#N)CC2)cc1[N+](=O)[O-] ZINC000430023545 1121826680 /nfs/dbraw/zinc/82/66/80/1121826680.db2.gz XORHKRYDIOWFIO-UHFFFAOYSA-N 0 3 287.363 3.502 20 30 CHEDHN CC(C)C[C@@H](NCC(C)(C)CC#N)c1ccccn1 ZINC000414168279 1121836002 /nfs/dbraw/zinc/83/60/02/1121836002.db2.gz QLPFZJDQNINXOY-OAHLLOKOSA-N 0 3 259.397 3.698 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000414305410 1121841321 /nfs/dbraw/zinc/84/13/21/1121841321.db2.gz RSLYWWJKVHOKQX-OIISXLGYSA-N 0 3 281.403 3.666 20 30 CHEDHN CCN(C)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000773815081 1121881270 /nfs/dbraw/zinc/88/12/70/1121881270.db2.gz YEIUYLCFLJKLCG-HNNXBMFYSA-N 0 3 293.414 3.865 20 30 CHEDHN N#Cc1ccc(CC2CCN(Cc3ccoc3)CC2)cc1 ZINC001204245732 1121884261 /nfs/dbraw/zinc/88/42/61/1121884261.db2.gz VEUNDVMGMHRXSC-UHFFFAOYSA-N 0 3 280.371 3.606 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc2c1CCOC2 ZINC001179997252 1121935562 /nfs/dbraw/zinc/93/55/62/1121935562.db2.gz FUCRTBMPFYRHKC-UHFFFAOYSA-N 0 3 293.410 3.948 20 30 CHEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)CC1(C#N)CC1 ZINC000501537495 1121986482 /nfs/dbraw/zinc/98/64/82/1121986482.db2.gz CQLWEMWJLHQHAU-QGZVFWFLSA-N 0 3 270.420 3.942 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000618807431 1122067787 /nfs/dbraw/zinc/06/77/87/1122067787.db2.gz YTZZUYFIYCJDPR-BFUOFWGJSA-N 0 3 287.366 3.768 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCC1(C)C ZINC000773942867 1122075700 /nfs/dbraw/zinc/07/57/00/1122075700.db2.gz IBRUJSHQGXYMHO-OLZOCXBDSA-N 0 3 295.386 3.576 20 30 CHEDHN CC1(C)CCC[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000773986554 1122118072 /nfs/dbraw/zinc/11/80/72/1122118072.db2.gz CFMREAOUANVLGJ-RYUDHWBXSA-N 0 3 282.343 3.830 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2nn(CC)c3ccccc23)C1 ZINC001182795844 1122187243 /nfs/dbraw/zinc/18/72/43/1122187243.db2.gz LYUGDICBDRYAQV-OAHLLOKOSA-N 0 3 283.419 3.844 20 30 CHEDHN CCc1cc(OC)ccc1CN(C)Cc1cccc(C#N)c1 ZINC000503953594 1122280698 /nfs/dbraw/zinc/28/06/98/1122280698.db2.gz PPNSYVLZYOECDY-UHFFFAOYSA-N 0 3 294.398 3.761 20 30 CHEDHN CCc1cc(OC)ccc1CN(C)Cc1ccc(C#N)cc1 ZINC000503958292 1122282188 /nfs/dbraw/zinc/28/21/88/1122282188.db2.gz PJULXBQYBUQQDW-UHFFFAOYSA-N 0 3 294.398 3.761 20 30 CHEDHN C[C@H](NCc1cccc2c1NCCC2)c1cccc(C#N)c1 ZINC000894308393 1122473145 /nfs/dbraw/zinc/47/31/45/1122473145.db2.gz QUXJNYCIYCJKNZ-AWEZNQCLSA-N 0 3 291.398 3.767 20 30 CHEDHN C#CC[C@H](NCc1cccc(N(C)C)c1)c1ccccc1 ZINC000775400788 1122546717 /nfs/dbraw/zinc/54/67/17/1122546717.db2.gz MPKMUVVBGFHBMG-IBGZPJMESA-N 0 3 278.399 3.607 20 30 CHEDHN C=C(C)CN(CC)Cc1cnc(-c2ccncc2)s1 ZINC000505881052 1122582479 /nfs/dbraw/zinc/58/24/79/1122582479.db2.gz DITYEWONWDEHOS-UHFFFAOYSA-N 0 3 273.405 3.603 20 30 CHEDHN C=C(Br)CN1CCC[C@H]1[C@H](C)CCC ZINC001192174427 1122633874 /nfs/dbraw/zinc/63/38/74/1122633874.db2.gz ROKNKWAVCZYSBU-PWSUYJOCSA-N 0 3 260.219 3.796 20 30 CHEDHN C=CCCCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182522 1129068179 /nfs/dbraw/zinc/06/81/79/1129068179.db2.gz GHIMDZAVDMIIRJ-RKDXNWHRSA-N 0 3 275.236 3.625 20 30 CHEDHN Cc1ccccc1[C@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000775551158 1122659977 /nfs/dbraw/zinc/65/99/77/1122659977.db2.gz UDWOHTSVMPULKZ-RBUKOAKNSA-N 0 3 294.398 3.663 20 30 CHEDHN N#Cc1ccc(CN2CCCC3(CCCC3)C2)c(F)c1 ZINC000438362844 1122694692 /nfs/dbraw/zinc/69/46/92/1122694692.db2.gz YQYVIWUTPWXVAK-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426062041 1122709943 /nfs/dbraw/zinc/70/99/43/1122709943.db2.gz WHHGFJMASJVKEB-CQSZACIVSA-N 0 3 273.376 3.985 20 30 CHEDHN C=CCCN(C)Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000467372143 1122711438 /nfs/dbraw/zinc/71/14/38/1122711438.db2.gz ZOBFAYZKPLWJII-UHFFFAOYSA-N 0 3 297.446 3.865 20 30 CHEDHN C[C@H]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)C1 ZINC000429594444 1122729366 /nfs/dbraw/zinc/72/93/66/1122729366.db2.gz XQBLSLMNWUXGBQ-NHYWBVRUSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@@H]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)C1 ZINC000429594439 1122729823 /nfs/dbraw/zinc/72/98/23/1122729823.db2.gz XQBLSLMNWUXGBQ-ABAIWWIYSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439431525 1122779388 /nfs/dbraw/zinc/77/93/88/1122779388.db2.gz NIRZPWSMQQHWOX-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN CN(CC#Cc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000426391303 1122781051 /nfs/dbraw/zinc/78/10/51/1122781051.db2.gz SRLSDMOULQPMCP-UHFFFAOYSA-N 0 3 295.813 3.791 20 30 CHEDHN CCCCCCCCOC(=O)N1CCCN(CC)CC1 ZINC001194730187 1122792617 /nfs/dbraw/zinc/79/26/17/1122792617.db2.gz APXRSHSYTIPYEH-UHFFFAOYSA-N 0 3 284.444 3.511 20 30 CHEDHN CCCCCCCCOC(=O)N1CCC2(CN(C)C2)CC1 ZINC001194744125 1122793951 /nfs/dbraw/zinc/79/39/51/1122793951.db2.gz YBUAOFWEAKIXHO-UHFFFAOYSA-N 0 3 296.455 3.511 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000426580447 1122825987 /nfs/dbraw/zinc/82/59/87/1122825987.db2.gz QYNNPDAMHNRXOE-INIZCTEOSA-N 0 3 267.376 3.617 20 30 CHEDHN Cc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000507179061 1122933482 /nfs/dbraw/zinc/93/34/82/1122933482.db2.gz GTSPEWQYSQXELB-MRXNPFEDSA-N 0 3 294.373 3.995 20 30 CHEDHN C#CCN(Cc1oc(-c2ccccc2)nc1C)C(C)(C)C ZINC001197937483 1122975011 /nfs/dbraw/zinc/97/50/11/1122975011.db2.gz OXAKAFHQJLIPDO-UHFFFAOYSA-N 0 3 282.387 3.884 20 30 CHEDHN C#CCN(Cc1ccc(Br)cc1C)C(C)C ZINC001198026289 1122979573 /nfs/dbraw/zinc/97/95/73/1122979573.db2.gz CJTCEMABXRWVQB-UHFFFAOYSA-N 0 3 280.209 3.601 20 30 CHEDHN C=CCCCN(CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001198457847 1122992820 /nfs/dbraw/zinc/99/28/20/1122992820.db2.gz MDZVEDBVRYHPMV-UHFFFAOYSA-N 0 3 266.316 3.522 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](C(C)(C)C)CC1 ZINC001198800029 1123011021 /nfs/dbraw/zinc/01/10/21/1123011021.db2.gz HDVCFYFWEHSZBO-WMLDXEAASA-N 0 3 286.419 3.756 20 30 CHEDHN C=CCN(Cc1cccc(Br)c1OC)C(C)C ZINC000775913225 1123013025 /nfs/dbraw/zinc/01/30/25/1123013025.db2.gz VHMJDDBFUZVTAV-UHFFFAOYSA-N 0 3 298.224 3.854 20 30 CHEDHN C=CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000776155898 1123086034 /nfs/dbraw/zinc/08/60/34/1123086034.db2.gz JFERJZUYWZTDOY-KDOFPFPSSA-N 0 3 277.371 3.921 20 30 CHEDHN C#CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000776168253 1123100850 /nfs/dbraw/zinc/10/08/50/1123100850.db2.gz ANXOGLNCCBSFOD-HNAYVOBHSA-N 0 3 274.367 3.973 20 30 CHEDHN CCCCCCCCN1CCN(Cc2ccccn2)CC1 ZINC001201815196 1123151331 /nfs/dbraw/zinc/15/13/31/1123151331.db2.gz YVOCKVDNDKEGSQ-UHFFFAOYSA-N 0 3 289.467 3.560 20 30 CHEDHN CCCCCCCCCCN1CCO[C@]2(CCOC2)C1 ZINC001201853040 1123152212 /nfs/dbraw/zinc/15/22/12/1123152212.db2.gz YWEFBIDAYDJMSD-QGZVFWFLSA-N 0 3 283.456 3.618 20 30 CHEDHN CCCCCCCCCCN1C[C@@H](F)C[C@H](CO)C1 ZINC001201852747 1123152359 /nfs/dbraw/zinc/15/23/59/1123152359.db2.gz JLULHHNMTNUBDM-HOTGVXAUSA-N 0 3 273.436 3.779 20 30 CHEDHN CCCCCCCCN1CCC(F)(C(=O)OCC)CC1 ZINC001201826503 1123153133 /nfs/dbraw/zinc/15/31/33/1123153133.db2.gz YOZAMWRISMJQRN-UHFFFAOYSA-N 0 3 287.419 3.714 20 30 CHEDHN CCCCCCCCN1CC2(C1)C[C@@H](F)CS2 ZINC001201840123 1123155182 /nfs/dbraw/zinc/15/51/82/1123155182.db2.gz MYRZWIRDGIFESE-CYBMUJFWSA-N 0 3 259.434 3.876 20 30 CHEDHN CCCCCCCCCCN1CCN(CCF)CC1 ZINC001201875327 1123156985 /nfs/dbraw/zinc/15/69/85/1123156985.db2.gz VQNJDHDWVFDKNR-UHFFFAOYSA-N 0 3 272.452 3.714 20 30 CHEDHN C=C[C@H](COC)NCc1ccc(C2CC2)c(C2CC2)c1 ZINC001202093389 1123174657 /nfs/dbraw/zinc/17/46/57/1123174657.db2.gz SRFUAETZUNFNHG-MRXNPFEDSA-N 0 3 271.404 3.732 20 30 CHEDHN N#Cc1cccc(C2CCN(CCC(F)(F)F)CC2)c1 ZINC001202346897 1123197209 /nfs/dbraw/zinc/19/72/09/1123197209.db2.gz CQTXKWWWJBQING-UHFFFAOYSA-N 0 3 282.309 3.690 20 30 CHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000850423338 1123265329 /nfs/dbraw/zinc/26/53/29/1123265329.db2.gz UQBRPOZLEZVVEF-AWEZNQCLSA-N 0 3 292.382 3.734 20 30 CHEDHN C[C@@H]1CCN(CCC(C)(C)C#N)[C@@H](c2ccco2)C1 ZINC000270680734 1129110269 /nfs/dbraw/zinc/11/02/69/1129110269.db2.gz UPIIUHLBUIYJNF-ZIAGYGMSSA-N 0 3 260.381 3.992 20 30 CHEDHN C=CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000850502973 1123276083 /nfs/dbraw/zinc/27/60/83/1123276083.db2.gz YGFBWRBCGZHUJQ-SNVBAGLBSA-N 0 3 284.197 3.690 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(F)c1C#N ZINC000428211378 1123281636 /nfs/dbraw/zinc/28/16/36/1123281636.db2.gz XEEMSENEKDJENW-IGCXYCKISA-N 0 3 272.367 3.850 20 30 CHEDHN C#C[C@@](C)(CC)NCc1ccccc1Oc1cccnc1 ZINC000852102987 1123397091 /nfs/dbraw/zinc/39/70/91/1123397091.db2.gz VGZUJILVNNSDLD-SFHVURJKSA-N 0 3 280.371 3.765 20 30 CHEDHN C=CC[N@H+](Cc1c([O-])ccc2ccccc21)[C@H](C)COC ZINC000853533013 1123442980 /nfs/dbraw/zinc/44/29/80/1123442980.db2.gz SCPOVMZOQHPQPY-CQSZACIVSA-N 0 3 285.387 3.568 20 30 CHEDHN C=CC[N@@H+](Cc1c([O-])ccc2ccccc21)[C@H](C)COC ZINC000853533013 1123442983 /nfs/dbraw/zinc/44/29/83/1123442983.db2.gz SCPOVMZOQHPQPY-CQSZACIVSA-N 0 3 285.387 3.568 20 30 CHEDHN C#CCOc1ccc(CNCc2ccc(Cl)cc2)cc1 ZINC000113312746 1123518709 /nfs/dbraw/zinc/51/87/09/1123518709.db2.gz SOBZUPYJFZHUIH-UHFFFAOYSA-N 0 3 285.774 3.642 20 30 CHEDHN N#CCCC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000399268207 1123577667 /nfs/dbraw/zinc/57/76/67/1123577667.db2.gz BSSAKFNQFGKOKW-UHFFFAOYSA-N 0 3 262.784 3.856 20 30 CHEDHN N#CCCC[C@@H](NCc1ccnc(F)c1)c1ccccc1 ZINC000858169059 1123635629 /nfs/dbraw/zinc/63/56/29/1123635629.db2.gz JVYPWAMLGFWRSA-MRXNPFEDSA-N 0 3 283.350 3.745 20 30 CHEDHN C[C@H](NCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346091508 1123663414 /nfs/dbraw/zinc/66/34/14/1123663414.db2.gz YBTPXVQHOLRERC-LBPRGKRZSA-N 0 3 254.308 3.548 20 30 CHEDHN CC(C)(C)[C@@H]1CN(CCCCC2(C#N)CCC2)CCO1 ZINC000930268036 1123702967 /nfs/dbraw/zinc/70/29/67/1123702967.db2.gz LYHVMTKNMLQHDW-HNNXBMFYSA-N 0 3 278.440 3.597 20 30 CHEDHN C=C(Br)CNC[C@@H](C)c1ccc(C)cc1 ZINC000862277372 1123797419 /nfs/dbraw/zinc/79/74/19/1123797419.db2.gz XJXBRIMDQJAJKY-LLVKDONJSA-N 0 3 268.198 3.597 20 30 CHEDHN C#CC[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000862442305 1123810181 /nfs/dbraw/zinc/81/01/81/1123810181.db2.gz BKRROJIAFFLPFV-LBPRGKRZSA-N 0 3 267.294 3.551 20 30 CHEDHN C#CCN(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000195732880 1129149135 /nfs/dbraw/zinc/14/91/35/1129149135.db2.gz SQLUODWASIRWNH-LLVKDONJSA-N 0 3 255.283 3.722 20 30 CHEDHN CC(=NNc1ccnc(C)c1)c1sc(C(C)C)nc1C ZINC000863159596 1123848330 /nfs/dbraw/zinc/84/83/30/1123848330.db2.gz XLKAUFHZKVIBLQ-UHFFFAOYSA-N 0 3 288.420 3.536 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2occc21)c1ccc(OCC#N)cc1 ZINC000192955771 1123868057 /nfs/dbraw/zinc/86/80/57/1123868057.db2.gz WWFDKLUPKHUWLX-SUMWQHHRSA-N 0 3 296.370 3.910 20 30 CHEDHN CC(C)(NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000119923503 1123919100 /nfs/dbraw/zinc/91/91/00/1123919100.db2.gz HVVPBAIOAVVHQU-UHFFFAOYSA-N 0 3 286.325 3.861 20 30 CHEDHN CC(C)(C)c1csc(CN[C@H]2CC[C@@H](CC#N)C2)n1 ZINC000865586938 1123996874 /nfs/dbraw/zinc/99/68/74/1123996874.db2.gz MOJYKPYHGVLBBE-RYUDHWBXSA-N 0 3 277.437 3.613 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866305658 1124049466 /nfs/dbraw/zinc/04/94/66/1124049466.db2.gz JHCIAXMATDGKRZ-LLVKDONJSA-N 0 3 294.782 3.725 20 30 CHEDHN COc1ccc(CN(C)Cc2cc(C)cc(C)c2)cc1C#N ZINC000444690109 1124053202 /nfs/dbraw/zinc/05/32/02/1124053202.db2.gz IVQQCQXZEBGMFI-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866351625 1124056893 /nfs/dbraw/zinc/05/68/93/1124056893.db2.gz QRTNMQZHQZSFNE-JTQLQIEISA-N 0 3 289.766 3.826 20 30 CHEDHN C#Cc1cccc(CN[C@@H](c2ccccn2)C(C)C)c1 ZINC000866369591 1124058152 /nfs/dbraw/zinc/05/81/52/1124058152.db2.gz MSWYFOCCIXBTFT-GOSISDBHSA-N 0 3 264.372 3.550 20 30 CHEDHN C=CCC[C@@H](CCC)NCc1nn(C)cc1C(F)F ZINC000866562541 1124082097 /nfs/dbraw/zinc/08/20/97/1124082097.db2.gz CZKPKMKQMQGYKG-LLVKDONJSA-N 0 3 271.355 3.582 20 30 CHEDHN C=CCCCC[C@H](C)NCc1nn(C)cc1C(F)F ZINC000866566773 1124082562 /nfs/dbraw/zinc/08/25/62/1124082562.db2.gz GZFATNPLCWMAMQ-NSHDSACASA-N 0 3 271.355 3.582 20 30 CHEDHN CC(C)(C#N)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000718004374 1129165229 /nfs/dbraw/zinc/16/52/29/1129165229.db2.gz CLDCAOHWFQHQSS-HZPDHXFCSA-N 0 3 286.419 3.510 20 30 CHEDHN CC(C)(C#N)CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000718004365 1129165811 /nfs/dbraw/zinc/16/58/11/1129165811.db2.gz CLDCAOHWFQHQSS-CVEARBPZSA-N 0 3 286.419 3.510 20 30 CHEDHN C=CCN(Cc1ccccc1C(F)(F)F)[C@@H](C)COC ZINC000621317736 1129166918 /nfs/dbraw/zinc/16/69/18/1129166918.db2.gz WRMVUQNKYCJHDL-LBPRGKRZSA-N 0 3 287.325 3.728 20 30 CHEDHN C[C@H]1CCC[C@H](N(C)Cc2cccc(F)c2C#N)C1 ZINC000428445628 1124115027 /nfs/dbraw/zinc/11/50/27/1124115027.db2.gz HAUKSQQYJNHODJ-JSGCOSHPSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CC[C@H](N[C@H]1CCCc2ncccc21)c1ccncc1 ZINC001118991937 1131244844 /nfs/dbraw/zinc/24/48/44/1131244844.db2.gz TUZJURWNOHHRLU-WMZOPIPTSA-N 0 3 279.387 3.761 20 30 CHEDHN N#CC[C@@H]1CCCN([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170934248 1131257961 /nfs/dbraw/zinc/25/79/61/1131257961.db2.gz LUVMEHWFPVPZAT-ZFWWWQNUSA-N 0 3 288.822 3.823 20 30 CHEDHN N#Cc1ccc(F)c(CN2CC[C@H](Cc3ccccc3)C2)c1 ZINC000525637095 1124451202 /nfs/dbraw/zinc/45/12/02/1124451202.db2.gz YULFCOINYSIOOQ-QGZVFWFLSA-N 0 3 294.373 3.762 20 30 CHEDHN C[C@H]1CCCC[C@H]1N(C)Cc1cccc(F)c1C#N ZINC000428476394 1124459638 /nfs/dbraw/zinc/45/96/38/1124459638.db2.gz DTCNZVRBAHXYKD-BLLLJJGKSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H]1CCCC[C@@H]1N(C)Cc1cccc(F)c1C#N ZINC000428476395 1124460025 /nfs/dbraw/zinc/46/00/25/1124460025.db2.gz DTCNZVRBAHXYKD-LRDDRELGSA-N 0 3 260.356 3.708 20 30 CHEDHN CCc1cnccc1[C@@H](C)NCc1c(C)cc(C#N)cc1C ZINC001119729916 1131263039 /nfs/dbraw/zinc/26/30/39/1131263039.db2.gz VPHQUDHGTREOIV-OAHLLOKOSA-N 0 3 293.414 3.983 20 30 CHEDHN CCN(CC)c1ccc(C=NN[C@H](C)c2ccncc2)cc1 ZINC000819816319 1131263691 /nfs/dbraw/zinc/26/36/91/1131263691.db2.gz ZIJZXBDYPKQZIR-OAHLLOKOSA-N 0 3 296.418 3.613 20 30 CHEDHN CCc1ccccc1CN(C)Cc1ccc(C#N)cc1 ZINC000527325171 1124567791 /nfs/dbraw/zinc/56/77/91/1124567791.db2.gz NOUWBSGCUKNKRP-UHFFFAOYSA-N 0 3 264.372 3.753 20 30 CHEDHN C=C[C@@H](C)NCc1cnc(CCc2ccccc2)s1 ZINC000449192630 1124664048 /nfs/dbraw/zinc/66/40/48/1124664048.db2.gz RHOPASMJRWNKBJ-CYBMUJFWSA-N 0 3 272.417 3.592 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2c1cccc2F ZINC001137057421 1124698288 /nfs/dbraw/zinc/69/82/88/1124698288.db2.gz BMWCQHCREZINND-DEZZGGKRSA-N 0 3 283.350 3.574 20 30 CHEDHN N#Cc1csc(CNC[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000449401410 1124726226 /nfs/dbraw/zinc/72/62/26/1124726226.db2.gz MUCKMIUTJKTVMF-HOCLYGCPSA-N 0 3 297.427 3.688 20 30 CHEDHN CN1CCN(CCCCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000389626704 1124728576 /nfs/dbraw/zinc/72/85/76/1124728576.db2.gz DDXQIBAQUWHFSO-GOSISDBHSA-N 0 3 299.462 3.695 20 30 CHEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001123233054 1131309540 /nfs/dbraw/zinc/30/95/40/1131309540.db2.gz FHTUIRGDAUTYSG-JYJNAYRXSA-N 0 3 299.418 3.686 20 30 CHEDHN CCCCCCCCNC(=O)Nc1cccc2c1CNC2 ZINC001239191395 1131305297 /nfs/dbraw/zinc/30/52/97/1131305297.db2.gz JMVOXTSHKWIAIS-UHFFFAOYSA-N 0 3 289.423 3.772 20 30 CHEDHN N#Cc1ccc(CNC2(Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000449564878 1124805007 /nfs/dbraw/zinc/80/50/07/1124805007.db2.gz HIKHPNMRRKUADL-UHFFFAOYSA-N 0 3 298.336 3.701 20 30 CHEDHN CN1CCc2ccc(/C=C/c3ccc(C#N)cc3)cc2C1 ZINC001239309435 1131313295 /nfs/dbraw/zinc/31/32/95/1131313295.db2.gz FVJRDHRKVPLABQ-GORDUTHDSA-N 0 3 274.367 3.717 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(Br)c(C)c1 ZINC001137616346 1124849690 /nfs/dbraw/zinc/84/96/90/1124849690.db2.gz CAUCIOPWXZUBGO-UHFFFAOYSA-N 0 3 280.209 3.932 20 30 CHEDHN N#CC1CCN(Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000876652456 1124967916 /nfs/dbraw/zinc/96/79/16/1124967916.db2.gz DATRVLROESZEIG-UHFFFAOYSA-N 0 3 282.309 3.527 20 30 CHEDHN CSCCCCCCNCc1cc(C#N)cnc1Cl ZINC000877304070 1125021925 /nfs/dbraw/zinc/02/19/25/1125021925.db2.gz SGFMYFNUTXJTGB-UHFFFAOYSA-N 0 3 297.855 3.620 20 30 CHEDHN C#C[C@H](N[C@@H](C)CCc1cccnc1)c1ccc(F)cc1 ZINC000877544277 1125042676 /nfs/dbraw/zinc/04/26/76/1125042676.db2.gz NQGHTIPMYIATKS-KSSFIOAISA-N 0 3 282.362 3.506 20 30 CHEDHN C#C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000877541547 1125042994 /nfs/dbraw/zinc/04/29/94/1125042994.db2.gz PXZXLOSQFQDHFR-HUUCEWRRSA-N 0 3 277.795 3.562 20 30 CHEDHN Cc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c([O-])c1 ZINC000877594409 1125050699 /nfs/dbraw/zinc/05/06/99/1125050699.db2.gz SSSHREAWXPOFAF-GOSISDBHSA-N 0 3 292.382 3.740 20 30 CHEDHN Cc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c([O-])c1 ZINC000877594410 1125050954 /nfs/dbraw/zinc/05/09/54/1125050954.db2.gz SSSHREAWXPOFAF-SFHVURJKSA-N 0 3 292.382 3.740 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CC(c3ccccc3)C2)cc1 ZINC000877665533 1125061425 /nfs/dbraw/zinc/06/14/25/1125061425.db2.gz AOMVKXNEVBAGCG-OAHLLOKOSA-N 0 3 292.382 3.577 20 30 CHEDHN COc1ccc(Nc2ccnc(C3CC3)c2)c(C#N)c1 ZINC001212781974 1125106721 /nfs/dbraw/zinc/10/67/21/1125106721.db2.gz VLCDYVKWOPNGAH-UHFFFAOYSA-N 0 3 265.316 3.583 20 30 CHEDHN C#CC[C@H](NCc1cccc2c1CCOC2)c1ccccc1 ZINC000878362760 1125144631 /nfs/dbraw/zinc/14/46/31/1125144631.db2.gz HEJZJISDKIOUOA-FQEVSTJZSA-N 0 3 291.394 3.614 20 30 CHEDHN Cc1cncc([C@H]2CCCN2Cc2ccc(C#N)c(C)c2)c1 ZINC000879752327 1125231916 /nfs/dbraw/zinc/23/19/16/1125231916.db2.gz RPPBYCVNYKGQIX-LJQANCHMSA-N 0 3 291.398 3.907 20 30 CHEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(C(F)(F)F)nc1 ZINC000880098917 1125250967 /nfs/dbraw/zinc/25/09/67/1125250967.db2.gz YKKPHFKPPLIEHN-SNVBAGLBSA-N 0 3 285.313 3.691 20 30 CHEDHN C=CCCC[C@@H](NCc1cncn1C)c1ccccc1 ZINC000880388610 1125271004 /nfs/dbraw/zinc/27/10/04/1125271004.db2.gz MTGOHMHBQKLPIS-QGZVFWFLSA-N 0 3 269.392 3.607 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCCS2)c([O-])c1 ZINC000129342278 1125330917 /nfs/dbraw/zinc/33/09/17/1125330917.db2.gz QNVNSPAEZBXOPE-VUVCFOEZSA-N 0 3 292.448 3.553 20 30 CHEDHN Cc1ccc(CN(Cc2cc(C#N)n(C)c2)C2CC2)cc1C ZINC000191393102 1125359969 /nfs/dbraw/zinc/35/99/69/1125359969.db2.gz ARMBQCIOCLHBQP-UHFFFAOYSA-N 0 3 293.414 3.678 20 30 CHEDHN C=CCN(CCCOC(C)(C)C)Cc1cccc(C#N)c1 ZINC000610681441 1125365549 /nfs/dbraw/zinc/36/55/49/1125365549.db2.gz XJTLSWPJZDBITB-UHFFFAOYSA-N 0 3 286.419 3.751 20 30 CHEDHN C=CCC[C@H](Cc1ccccc1)NCc1cscn1 ZINC000883183032 1125375090 /nfs/dbraw/zinc/37/50/90/1125375090.db2.gz QLYHIPZRNUFRAB-OAHLLOKOSA-N 0 3 272.417 3.810 20 30 CHEDHN C=CCC[C@@H](NCc1nc(C2CC2)cs1)[C@H]1CCCO1 ZINC000883206135 1125377316 /nfs/dbraw/zinc/37/73/16/1125377316.db2.gz LEBPBFWKHMNBDO-UKRRQHHQSA-N 0 3 292.448 3.624 20 30 CHEDHN C=CCC[C@H](NCc1ccc(C)nc1Cl)[C@H]1CCCO1 ZINC000883301656 1125392004 /nfs/dbraw/zinc/39/20/04/1125392004.db2.gz GANRYBFIBGPKFN-LSDHHAIUSA-N 0 3 294.826 3.647 20 30 CHEDHN C=CCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000133015834 1125430034 /nfs/dbraw/zinc/43/00/34/1125430034.db2.gz PGFADQIWFBXPGN-UHFFFAOYSA-N 0 3 257.333 3.564 20 30 CHEDHN C=CCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000133015834 1125430035 /nfs/dbraw/zinc/43/00/35/1125430035.db2.gz PGFADQIWFBXPGN-UHFFFAOYSA-N 0 3 257.333 3.564 20 30 CHEDHN COc1ccc(CN2CCC(C#N)CC2)c2ccccc12 ZINC000123775713 1125432434 /nfs/dbraw/zinc/43/24/34/1125432434.db2.gz DMUHUCYYGZGKKL-UHFFFAOYSA-N 0 3 280.371 3.584 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccccn1 ZINC000245959907 1129239253 /nfs/dbraw/zinc/23/92/53/1129239253.db2.gz XITHCBFKILDRGN-FPCVCCKLSA-N 0 3 282.387 3.864 20 30 CHEDHN CC(C)[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735310197 1129340202 /nfs/dbraw/zinc/34/02/02/1129340202.db2.gz SXQKGIGFKIYTHV-OAHLLOKOSA-N 0 3 292.810 3.863 20 30 CHEDHN C=CCCCN(C)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000736589123 1129376862 /nfs/dbraw/zinc/37/68/62/1129376862.db2.gz AGAJGMURAIXIGJ-UHFFFAOYSA-N 0 3 273.355 3.545 20 30 CHEDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(C#N)cc1 ZINC000094617290 1129448520 /nfs/dbraw/zinc/44/85/20/1129448520.db2.gz LDKMPULCBKVMLQ-VXGBXAGGSA-N 0 3 284.334 3.815 20 30 CHEDHN CCN(C)c1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000741753143 1129451151 /nfs/dbraw/zinc/45/11/51/1129451151.db2.gz PCHFEUHTCBLRTD-UHFFFAOYSA-N 0 3 293.414 3.646 20 30 CHEDHN COc1ccc(CNCc2cc(C)sc2C)cc1C#N ZINC000742374552 1129475619 /nfs/dbraw/zinc/47/56/19/1129475619.db2.gz VOWFBDZJQVPKCV-UHFFFAOYSA-N 0 3 286.400 3.535 20 30 CHEDHN Cc1cccc(C)c1CN(C)Cc1ccc(C#N)cc1 ZINC000303735978 1129556505 /nfs/dbraw/zinc/55/65/05/1129556505.db2.gz GNVHMZJHVWDNBH-UHFFFAOYSA-N 0 3 264.372 3.807 20 30 CHEDHN C=CCCOCCN[C@H]1CCSc2c(F)cccc21 ZINC000181766649 1129587458 /nfs/dbraw/zinc/58/74/58/1129587458.db2.gz LISOCYOKAUOYOW-AWEZNQCLSA-N 0 3 281.396 3.545 20 30 CHEDHN C#CCCCCCCN[C@H](C)c1csc(CC)n1 ZINC001168995537 1129688662 /nfs/dbraw/zinc/68/86/62/1129688662.db2.gz OYTJWMQZCGKFJV-CYBMUJFWSA-N 0 3 264.438 3.940 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](Cc1ccccc1)CC(C)C ZINC001169061323 1129694391 /nfs/dbraw/zinc/69/43/91/1129694391.db2.gz KFZKTQMFTHDYSB-IAGOWNOFSA-N 0 3 258.409 3.926 20 30 CHEDHN Fc1ccc(C#CCN2CCCC3(CCCC3)C2)cc1 ZINC001169395330 1129725246 /nfs/dbraw/zinc/72/52/46/1129725246.db2.gz GZPRZWGXIUDCQM-UHFFFAOYSA-N 0 3 271.379 3.833 20 30 CHEDHN C=CCOc1ccccc1CN1CCC2(CC2(F)F)CC1 ZINC000651953599 1129753094 /nfs/dbraw/zinc/75/30/94/1129753094.db2.gz NSHJBJHPOJUVNE-UHFFFAOYSA-N 0 3 293.357 3.873 20 30 CHEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170995384 1131396329 /nfs/dbraw/zinc/39/63/29/1131396329.db2.gz DJASRDBODCNEBT-MRXNPFEDSA-N 0 3 286.394 3.841 20 30 CHEDHN C#CCCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000766924917 1129769846 /nfs/dbraw/zinc/76/98/46/1129769846.db2.gz UOZUOXQSXMIQEH-INIZCTEOSA-N 0 3 263.331 3.905 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccnc(Cl)c1 ZINC000796594852 1129801778 /nfs/dbraw/zinc/80/17/78/1129801778.db2.gz YRVXCDJIHOEIBD-GFCCVEGCSA-N 0 3 285.778 3.652 20 30 CHEDHN C=CCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC000380699331 1129832737 /nfs/dbraw/zinc/83/27/37/1129832737.db2.gz WSJFVAFIFONYQK-UHFFFAOYSA-N 0 3 268.382 3.882 20 30 CHEDHN C#C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)C(C)C ZINC000381666561 1129843552 /nfs/dbraw/zinc/84/35/52/1129843552.db2.gz JTCKTTXSNHIEOY-CYBMUJFWSA-N 0 3 273.273 3.592 20 30 CHEDHN Cc1cccc(C[C@H](NCC2(C#N)CCC2)C2CC2)c1 ZINC000828802880 1131401290 /nfs/dbraw/zinc/40/12/90/1131401290.db2.gz SUDOQMDFNQEOEM-KRWDZBQOSA-N 0 3 268.404 3.600 20 30 CHEDHN CCCCCCCOc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000768236231 1129846993 /nfs/dbraw/zinc/84/69/93/1129846993.db2.gz CLSCJZHEQBBIPZ-QGZVFWFLSA-N 0 3 291.435 3.602 20 30 CHEDHN Cc1cccc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000768253025 1129847031 /nfs/dbraw/zinc/84/70/31/1129847031.db2.gz VLAIJHUFURMKSQ-MRXNPFEDSA-N 0 3 294.398 3.918 20 30 CHEDHN C=CCN(Cc1cc(C)ccc1OC(F)F)C(C)C ZINC000768550953 1129862343 /nfs/dbraw/zinc/86/23/43/1129862343.db2.gz MMWAYSPXXLXNRD-UHFFFAOYSA-N 0 3 269.335 3.993 20 30 CHEDHN COc1ccc(-c2ccc(C#N)cc2C)cc1CN(C)C ZINC001242474404 1129864989 /nfs/dbraw/zinc/86/49/89/1129864989.db2.gz NGPIORGZZWOEAV-UHFFFAOYSA-N 0 3 280.371 3.604 20 30 CHEDHN CCSCCC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000800721477 1129886279 /nfs/dbraw/zinc/88/62/79/1129886279.db2.gz ODLWSXAVEHJQKO-GHRIWEEISA-N 0 3 294.464 3.801 20 30 CHEDHN C#CC[N@@H+](CC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769107224 1129891717 /nfs/dbraw/zinc/89/17/17/1129891717.db2.gz UTGVFSLFDUJRIJ-UHFFFAOYSA-N 0 3 265.356 3.514 20 30 CHEDHN C#CC[N@H+](CC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769107224 1129891722 /nfs/dbraw/zinc/89/17/22/1129891722.db2.gz UTGVFSLFDUJRIJ-UHFFFAOYSA-N 0 3 265.356 3.514 20 30 CHEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccsc1 ZINC000800889526 1129896542 /nfs/dbraw/zinc/89/65/42/1129896542.db2.gz QAWHIZSMDGPRQU-CQSZACIVSA-N 0 3 299.443 3.949 20 30 CHEDHN C=C1CCN(Cc2ccccc2N2CCCCC2)CC1 ZINC000769337431 1129903771 /nfs/dbraw/zinc/90/37/71/1129903771.db2.gz DXUODTXQLQALJN-UHFFFAOYSA-N 0 3 270.420 3.829 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CSC2(C)C)c([O-])c1 ZINC000801646799 1129936114 /nfs/dbraw/zinc/93/61/14/1129936114.db2.gz WGKGBGCWLWXAPL-DISPHTKASA-N 0 3 292.448 3.551 20 30 CHEDHN Cc1ccncc1[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000770745077 1129958286 /nfs/dbraw/zinc/95/82/86/1129958286.db2.gz DKCAFZZCAOBCDL-HUUCEWRRSA-N 0 3 295.386 3.532 20 30 CHEDHN Cc1ccncc1[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000770745078 1129958386 /nfs/dbraw/zinc/95/83/86/1129958386.db2.gz DKCAFZZCAOBCDL-LSDHHAIUSA-N 0 3 295.386 3.532 20 30 CHEDHN CC(C)[C@H](NCCO[C@H](C)C#N)c1ccccc1Cl ZINC000801940064 1129962192 /nfs/dbraw/zinc/96/21/92/1129962192.db2.gz UZIUSMXCMSLGKF-DOMZBBRYSA-N 0 3 280.799 3.555 20 30 CHEDHN C=CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000771640612 1129987308 /nfs/dbraw/zinc/98/73/08/1129987308.db2.gz PGPKDFCBMXKYNT-UHFFFAOYSA-N 0 3 283.371 3.704 20 30 CHEDHN C=CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000771640612 1129987311 /nfs/dbraw/zinc/98/73/11/1129987311.db2.gz PGPKDFCBMXKYNT-UHFFFAOYSA-N 0 3 283.371 3.704 20 30 CHEDHN C=CCC[C@H](NCc1csc(C)n1)[C@]1(C)CCCCO1 ZINC000902756845 1130052609 /nfs/dbraw/zinc/05/26/09/1130052609.db2.gz MTQRFRAPTRMSFR-HOTGVXAUSA-N 0 3 294.464 3.835 20 30 CHEDHN C=CCC[C@H](NCc1cc(CC)no1)[C@]1(C)CCCCO1 ZINC000902817125 1130062942 /nfs/dbraw/zinc/06/29/42/1130062942.db2.gz VSGUQXCJAKXXSO-IRXDYDNUSA-N 0 3 292.423 3.621 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cc(=O)oc2cc(CC)ccc12 ZINC000785997313 1130072709 /nfs/dbraw/zinc/07/27/09/1130072709.db2.gz LDWHNAFZZLACDW-MRXNPFEDSA-N 0 3 297.398 3.896 20 30 CHEDHN CC[C@@H](N[C@H](C)c1ccc[nH]1)c1cccc(C#N)c1 ZINC000902889227 1130079104 /nfs/dbraw/zinc/07/91/04/1130079104.db2.gz FBIZCFLJPWNJLO-IUODEOHRSA-N 0 3 253.349 3.688 20 30 CHEDHN CC[C@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000903054338 1130105603 /nfs/dbraw/zinc/10/56/03/1130105603.db2.gz WXMUKIOAKIBGMC-OALUTQOASA-N 0 3 292.382 3.992 20 30 CHEDHN CC[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000903054340 1130106215 /nfs/dbraw/zinc/10/62/15/1130106215.db2.gz WXMUKIOAKIBGMC-RTBURBONSA-N 0 3 292.382 3.992 20 30 CHEDHN C[C@@H](N[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1cc(C#N)ccn1 ZINC000903063806 1130107880 /nfs/dbraw/zinc/10/78/80/1130107880.db2.gz IPXWLUABEBTJQO-FSPWUOQZSA-N 0 3 291.398 3.796 20 30 CHEDHN N#CC1(CN[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000903107029 1130113382 /nfs/dbraw/zinc/11/33/82/1130113382.db2.gz ZNHARLDTGHNVFT-DZGCQCFKSA-N 0 3 274.795 3.869 20 30 CHEDHN N#CC1(CN[C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000903106146 1130113555 /nfs/dbraw/zinc/11/35/55/1130113555.db2.gz MYKZJJBCZORYCX-OAHLLOKOSA-N 0 3 274.795 3.554 20 30 CHEDHN C[C@@H]1C[C@H](NCC2(C#N)CCCC2)c2c1c(F)ccc2O ZINC000903108835 1130114583 /nfs/dbraw/zinc/11/45/83/1130114583.db2.gz HPBWSCARJNHVLF-YPMHNXCESA-N 0 3 288.366 3.753 20 30 CHEDHN C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1[O-] ZINC000787034124 1130126942 /nfs/dbraw/zinc/12/69/42/1130126942.db2.gz RVUUBKWQHQAFKI-DIFFPNOSSA-N 0 3 296.345 3.741 20 30 CHEDHN C=CCCN(C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787310852 1130147187 /nfs/dbraw/zinc/14/71/87/1130147187.db2.gz HZARWFHAMFLACZ-UHFFFAOYSA-N 0 3 278.705 3.762 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](c1ccncc1)C1CC1)CC2 ZINC000903428165 1130175676 /nfs/dbraw/zinc/17/56/76/1130175676.db2.gz MWMZJBZERRGLCJ-OALUTQOASA-N 0 3 289.382 3.681 20 30 CHEDHN CCC#C[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000677480513 1130312734 /nfs/dbraw/zinc/31/27/34/1130312734.db2.gz YOMGFXOELRGQKS-HUUCEWRRSA-N 0 3 282.387 3.809 20 30 CHEDHN COCC#CCN([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000677819174 1130334282 /nfs/dbraw/zinc/33/42/82/1130334282.db2.gz TWANWELMMOIBBQ-ZDUSSCGKSA-N 0 3 277.795 3.515 20 30 CHEDHN C=CCOc1ccc(CN(Cc2cn[nH]c2)C(C)(C)C)cc1 ZINC000678124362 1130354374 /nfs/dbraw/zinc/35/43/74/1130354374.db2.gz IMRYLYYZEZLAOW-UHFFFAOYSA-N 0 3 299.418 3.775 20 30 CHEDHN C=CCOc1cccc(CN[C@H](C)c2cnccc2C)c1 ZINC000678361488 1130408218 /nfs/dbraw/zinc/40/82/18/1130408218.db2.gz DFEZWNPLDFYNKF-OAHLLOKOSA-N 0 3 282.387 3.806 20 30 CHEDHN CC(C)(NCC#Cc1ccccc1)c1ccc(F)cc1 ZINC000792247912 1130441408 /nfs/dbraw/zinc/44/14/08/1130441408.db2.gz MYMXGHPMGHAOKG-UHFFFAOYSA-N 0 3 267.347 3.702 20 30 CHEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(SCCOC)cc1 ZINC000678765266 1130450975 /nfs/dbraw/zinc/45/09/75/1130450975.db2.gz IQQOTZGYGDNJQR-CABCVRRESA-N 0 3 291.460 3.878 20 30 CHEDHN C=CCOCCN(Cc1ccccc1Cl)CC1CC1 ZINC001170195207 1130461280 /nfs/dbraw/zinc/46/12/80/1130461280.db2.gz ROERRHPLVYDOET-UHFFFAOYSA-N 0 3 279.811 3.755 20 30 CHEDHN N#CC1(c2ccccc2)CCC(N2CCC[C@H](F)C2)CC1 ZINC001170386747 1130488448 /nfs/dbraw/zinc/48/84/48/1130488448.db2.gz KYNUREDQFSUPFK-AOCRQIFASA-N 0 3 286.394 3.824 20 30 CHEDHN CCCCCCOC(=O)CCCCCN[C@H](CC)CC#N ZINC001255159562 1130512262 /nfs/dbraw/zinc/51/22/62/1130512262.db2.gz XTFAQKOXVFSNBW-MRXNPFEDSA-N 0 3 296.455 3.952 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc(O)cc1 ZINC000679397036 1130526998 /nfs/dbraw/zinc/52/69/98/1130526998.db2.gz ZNASAJJDWWEORQ-UHFFFAOYSA-N 0 3 253.345 3.580 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1ncccc1F ZINC000793547566 1130569160 /nfs/dbraw/zinc/56/91/60/1130569160.db2.gz JTKJISKGFVTAEA-ZDUSSCGKSA-N 0 3 250.361 3.835 20 30 CHEDHN C#C[C@@H](N[C@H](C)CC1(OC)CCC1)c1ccc(Cl)cc1 ZINC000811516697 1130615611 /nfs/dbraw/zinc/61/56/11/1130615611.db2.gz TWNZZYOGHXGXFX-CZUORRHYSA-N 0 3 291.822 3.952 20 30 CHEDHN C#C[C@@H](CCCCC)Oc1cccc2c1CCN(C)C2 ZINC001234420947 1130642584 /nfs/dbraw/zinc/64/25/84/1130642584.db2.gz YJUUDVOXJSFEAC-INIZCTEOSA-N 0 3 271.404 3.635 20 30 CHEDHN C=CC[C@H](Oc1cccc2c1CCN(C)C2)C(C)C ZINC001234424488 1130642736 /nfs/dbraw/zinc/64/27/36/1130642736.db2.gz QWOCMGFNXNFNMA-INIZCTEOSA-N 0 3 259.393 3.654 20 30 CHEDHN C=CCOCCNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000780545445 1130683654 /nfs/dbraw/zinc/68/36/54/1130683654.db2.gz RMZGVQDNXWOXHL-UHFFFAOYSA-N 0 3 293.716 3.651 20 30 CHEDHN CCCCCCCCCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000781183040 1130708096 /nfs/dbraw/zinc/70/80/96/1130708096.db2.gz GFDQIMFWQVSWTL-MRXNPFEDSA-N 0 3 294.483 3.894 20 30 CHEDHN C#C[C@H](N[C@H](C)CCc1ccc(O)cc1)c1ccc(F)cc1 ZINC000812793568 1130716960 /nfs/dbraw/zinc/71/69/60/1130716960.db2.gz YTQHSRNPEGMUKP-KUHUBIRLSA-N 0 3 297.373 3.817 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000781752169 1130737240 /nfs/dbraw/zinc/73/72/40/1130737240.db2.gz VIFBGDJDSQIPHR-OLZOCXBDSA-N 0 3 295.386 3.576 20 30 CHEDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccc(C#N)c1 ZINC000783516269 1130832651 /nfs/dbraw/zinc/83/26/51/1130832651.db2.gz GJYFKLDQFAWNRL-CHWSQXEVSA-N 0 3 266.344 3.676 20 30 CHEDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(C#N)c1 ZINC000783516282 1130833148 /nfs/dbraw/zinc/83/31/48/1130833148.db2.gz GJYFKLDQFAWNRL-STQMWFEESA-N 0 3 266.344 3.676 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1C=Nn1cnnc1-c1ccccc1 ZINC000783821139 1130856598 /nfs/dbraw/zinc/85/65/98/1130856598.db2.gz KCHLYBGDTCMUAZ-UKRRQHHQSA-N 0 3 268.364 3.605 20 30 CHEDHN N#Cc1cccnc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236235247 1130900100 /nfs/dbraw/zinc/90/01/00/1130900100.db2.gz YASGGROFSFNHQA-UHFFFAOYSA-N 0 3 295.361 3.745 20 30 CHEDHN C#CC[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 ZINC000815083539 1130957650 /nfs/dbraw/zinc/95/76/50/1130957650.db2.gz QTHKFTABRYGPEQ-IBGZPJMESA-N 0 3 292.426 3.915 20 30 CHEDHN Cc1cc(C)c([C@@H](C)NCc2cc(C#N)ccc2F)c(O)c1 ZINC000815595362 1131005593 /nfs/dbraw/zinc/00/55/93/1131005593.db2.gz OVOZTLFQXQZTTC-CYBMUJFWSA-N 0 3 298.361 3.871 20 30 CHEDHN CCCCCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815600932 1131007245 /nfs/dbraw/zinc/00/72/45/1131007245.db2.gz JBYSULXBEOCQCP-OAHLLOKOSA-N 0 3 290.386 3.593 20 30 CHEDHN C#C[C@H](N[C@H](C)c1ccc(F)c2ccccc21)[C@H]1CCCO1 ZINC000815617568 1131009401 /nfs/dbraw/zinc/00/94/01/1131009401.db2.gz QAUMWNBUXLYMRT-ZNZDAUKMSA-N 0 3 297.373 3.810 20 30 CHEDHN CN1CCCc2cc(C=NOCc3ccccc3)ccc21 ZINC000748034181 1131028808 /nfs/dbraw/zinc/02/88/08/1131028808.db2.gz POWUMYLQSJVMLT-UHFFFAOYSA-N 0 3 280.371 3.620 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2cc(O)cc3ccccc32)C1 ZINC001237070027 1131046008 /nfs/dbraw/zinc/04/60/08/1131046008.db2.gz AFYMXXTXMQIESC-AWEZNQCLSA-N 0 3 280.371 3.671 20 30 CHEDHN C=C(C)C[N@@H+](CC)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237140358 1131057508 /nfs/dbraw/zinc/05/75/08/1131057508.db2.gz KAXVEAUMBRGXHE-UHFFFAOYSA-N 0 3 273.298 3.809 20 30 CHEDHN C=C(C)C[N@H+](CC)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237140358 1131057511 /nfs/dbraw/zinc/05/75/11/1131057511.db2.gz KAXVEAUMBRGXHE-UHFFFAOYSA-N 0 3 273.298 3.809 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccnc3c(Cl)cccc23)C1 ZINC001237152624 1131059578 /nfs/dbraw/zinc/05/95/78/1131059578.db2.gz SKXLZGZUHHSION-CYBMUJFWSA-N 0 3 284.790 3.733 20 30 CHEDHN C=CC[C@H](CC)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000798958613 1131065186 /nfs/dbraw/zinc/06/51/86/1131065186.db2.gz FZPRCXVAJRFLLM-ZDUSSCGKSA-N 0 3 298.224 3.907 20 30 CHEDHN C#C[C@H]1CCCN(Cc2c(C)cc(Cl)cc2C)C1 ZINC001237350844 1131088380 /nfs/dbraw/zinc/08/83/80/1131088380.db2.gz UGFYJIIHUDBDLY-AWEZNQCLSA-N 0 3 261.796 3.802 20 30 CHEDHN N#Cc1cc(CN2CCC[C@H](c3ccccc3)CC2)ccn1 ZINC001237462280 1131100485 /nfs/dbraw/zinc/10/04/85/1131100485.db2.gz GAKGAJZGPXUSFP-SFHVURJKSA-N 0 3 291.398 3.723 20 30 CHEDHN CCCCCCCCN(C)Cc1c[nH]nc1CC ZINC001237652986 1131124843 /nfs/dbraw/zinc/12/48/43/1131124843.db2.gz BNDLQBBYUKJSMV-UHFFFAOYSA-N 0 3 251.418 3.764 20 30 CHEDHN C#CC1CCN(Cc2cc(C)cc(C)c2Cl)CC1 ZINC001237700916 1131130179 /nfs/dbraw/zinc/13/01/79/1131130179.db2.gz GNAQGKSUXGCDLF-UHFFFAOYSA-N 0 3 261.796 3.802 20 30 CHEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1F ZINC001116375534 1131141940 /nfs/dbraw/zinc/14/19/40/1131141940.db2.gz HZMGGJXUKAHTMX-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN C=CCC[C@@H](NCc1cc(C)n[nH]1)c1ccccc1 ZINC001116488291 1131150248 /nfs/dbraw/zinc/15/02/48/1131150248.db2.gz QQXGKEJRSWSTIW-MRXNPFEDSA-N 0 3 255.365 3.515 20 30 CHEDHN C=C[C@@H](COC)N[C@@H](CCC)c1ccc(Cl)cc1 ZINC001116643652 1131159121 /nfs/dbraw/zinc/15/91/21/1131159121.db2.gz ROERLNAGRKPXPW-GJZGRUSLSA-N 0 3 267.800 3.972 20 30 CHEDHN C=C[C@H](COC)N[C@H]1C[C@H](C(C)C)c2ccccc21 ZINC001116811419 1131164754 /nfs/dbraw/zinc/16/47/54/1131164754.db2.gz RGKGVMXFFWFBCW-XYPHTWIQSA-N 0 3 259.393 3.662 20 30 CHEDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238191253 1131177297 /nfs/dbraw/zinc/17/72/97/1131177297.db2.gz KOFLSJKBFGMXAV-TXEJJXNPSA-N 0 3 262.784 3.690 20 30 CHEDHN C[C@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)[C@H]1C ZINC001238193648 1131178853 /nfs/dbraw/zinc/17/88/53/1131178853.db2.gz DYXMXSLUGCZWGF-RYUDHWBXSA-N 0 3 262.784 3.832 20 30 CHEDHN N#Cc1cc(CN2CCCCCCC2)ccc1Cl ZINC001238192448 1131178897 /nfs/dbraw/zinc/17/88/97/1131178897.db2.gz SEQQGAYBWBIEDK-UHFFFAOYSA-N 0 3 262.784 3.978 20 30 CHEDHN CC(C)[C@@H]1CCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238199260 1131181414 /nfs/dbraw/zinc/18/14/14/1131181414.db2.gz RDQCNGLVNRMSSN-HNNXBMFYSA-N 0 3 262.784 3.832 20 30 CHEDHN COc1cc(CN(C)Cc2ccc(C)c(C)c2)ccc1C#N ZINC001238416271 1131197675 /nfs/dbraw/zinc/19/76/75/1131197675.db2.gz KSLQQVWJQJLBFB-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN C=CC[C@H](NCc1cccn1C1CC1)c1ccncc1 ZINC001117784972 1131199427 /nfs/dbraw/zinc/19/94/27/1131199427.db2.gz UCOXGJYTBOKPGT-KRWDZBQOSA-N 0 3 267.376 3.625 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(F)c(F)c1OC ZINC001238470715 1131205913 /nfs/dbraw/zinc/20/59/13/1131205913.db2.gz VLBFDTVWUQIEGT-UHFFFAOYSA-N 0 3 269.335 3.762 20 30 CHEDHN N#CC[C@@H]1CCCN([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171051805 1131461930 /nfs/dbraw/zinc/46/19/30/1131461930.db2.gz XDMLFKXYFMQBBJ-DZGCQCFKSA-N 0 3 288.822 3.823 20 30 CHEDHN Cc1ccc2c(CN3CCC(C)(C#N)CC3)c[nH]c2c1 ZINC001136974573 1131491681 /nfs/dbraw/zinc/49/16/81/1131491681.db2.gz DLRRHXQTKBDEKX-UHFFFAOYSA-N 0 3 267.376 3.602 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(N(CC)CC)cc1OC ZINC001138390464 1131498332 /nfs/dbraw/zinc/49/83/32/1131498332.db2.gz XYAHCDMFCLWZFT-UHFFFAOYSA-N 0 3 290.451 3.939 20 30 CHEDHN C#Cc1cccc(CNCc2cc(C)c(OC)c(C)c2)c1 ZINC000825225953 1131502005 /nfs/dbraw/zinc/50/20/05/1131502005.db2.gz CDFZXMUXQWUUHK-UHFFFAOYSA-N 0 3 279.383 3.583 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1ncccc1OC ZINC000825249468 1131504541 /nfs/dbraw/zinc/50/45/41/1131504541.db2.gz IJZCTPKQIIWCMR-AWEZNQCLSA-N 0 3 262.397 3.705 20 30 CHEDHN CCOc1ccc(CN2CCC[C@H](C#N)CC2)c(C)c1 ZINC001138434948 1131505362 /nfs/dbraw/zinc/50/53/62/1131505362.db2.gz DHTCIFNXYFEEID-HNNXBMFYSA-N 0 3 272.392 3.519 20 30 CHEDHN C=CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1[O-] ZINC001138626307 1131528345 /nfs/dbraw/zinc/52/83/45/1131528345.db2.gz FGESVBBYPJXHKS-GASCZTMLSA-N 0 3 293.357 3.598 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1[O-] ZINC001138626307 1131528348 /nfs/dbraw/zinc/52/83/48/1131528348.db2.gz FGESVBBYPJXHKS-GASCZTMLSA-N 0 3 293.357 3.598 20 30 CHEDHN C=CCc1cccc(CN2CCc3ccc(F)cc3C2)c1O ZINC001138627842 1131528627 /nfs/dbraw/zinc/52/86/27/1131528627.db2.gz GYAQFXLBUGEWAU-UHFFFAOYSA-N 0 3 297.373 3.818 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)CCc2ccccc2F)c1[O-] ZINC001138630059 1131530152 /nfs/dbraw/zinc/53/01/52/1131530152.db2.gz PHJGDSISUDNMMI-UHFFFAOYSA-N 0 3 299.389 3.934 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)CCc2ccccc2F)c1[O-] ZINC001138630059 1131530156 /nfs/dbraw/zinc/53/01/56/1131530156.db2.gz PHJGDSISUDNMMI-UHFFFAOYSA-N 0 3 299.389 3.934 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)CCc2cccs2)c1[O-] ZINC001138628658 1131530304 /nfs/dbraw/zinc/53/03/04/1131530304.db2.gz BDEHDTQGLFEOLY-UHFFFAOYSA-N 0 3 287.428 3.857 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)CCc2cccs2)c1[O-] ZINC001138628658 1131530307 /nfs/dbraw/zinc/53/03/07/1131530307.db2.gz BDEHDTQGLFEOLY-UHFFFAOYSA-N 0 3 287.428 3.857 20 30 CHEDHN C=CCN(Cc1cnn(-c2ccc(F)cc2)c1)C(C)(C)C ZINC001138652225 1131533211 /nfs/dbraw/zinc/53/32/11/1131533211.db2.gz AMJNPXKDPHHZBE-UHFFFAOYSA-N 0 3 287.382 3.798 20 30 CHEDHN C=C(C)COc1ccccc1CN(C)CCc1ccccn1 ZINC001138663043 1131533588 /nfs/dbraw/zinc/53/35/88/1131533588.db2.gz MIAORWQTWFYLEV-UHFFFAOYSA-N 0 3 296.414 3.711 20 30 CHEDHN CCCCCCCN(C)Cc1cnc(SC)nc1 ZINC001138704793 1131539209 /nfs/dbraw/zinc/53/92/09/1131539209.db2.gz BMJXZOWRPLXXDZ-UHFFFAOYSA-N 0 3 267.442 3.601 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(Br)o1 ZINC001138907379 1131559173 /nfs/dbraw/zinc/55/91/73/1131559173.db2.gz SSYVAJJHPALTPN-UHFFFAOYSA-N 0 3 272.186 3.830 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc2ccccc2o1 ZINC001139064460 1131577855 /nfs/dbraw/zinc/57/78/55/1131577855.db2.gz DIQQYMMRYFGTCR-XMQYKBBCSA-N 0 3 266.344 3.699 20 30 CHEDHN C=C(C(=O)NCCP(C(C)C)C(C)C)C(F)(F)F ZINC001144214989 1131597948 /nfs/dbraw/zinc/59/79/48/1131597948.db2.gz DMUGKOIOTDOMCU-UHFFFAOYSA-N 0 3 283.274 3.520 20 30 CHEDHN SC1CCN(Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001139503580 1131611507 /nfs/dbraw/zinc/61/15/07/1131611507.db2.gz IHIGRVWGKIMIBP-UHFFFAOYSA-N 0 3 290.457 3.704 20 30 CHEDHN CCOc1ccc(C)cc1CN1CCC(CC#N)CC1 ZINC001139603670 1131620915 /nfs/dbraw/zinc/62/09/15/1131620915.db2.gz FHLNKJZOESUMFW-UHFFFAOYSA-N 0 3 272.392 3.519 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H](CF)c1ccccc1 ZINC001171189439 1131639600 /nfs/dbraw/zinc/63/96/00/1131639600.db2.gz GEJDFGFVAGVVHF-KBXCAEBGSA-N 0 3 282.362 3.790 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccnc(F)c1 ZINC001139833824 1131640359 /nfs/dbraw/zinc/64/03/59/1131640359.db2.gz RSCZSTRGFRMVTC-UHFFFAOYSA-N 0 3 270.351 3.799 20 30 CHEDHN CCCCCCCCN(C)Cc1cnc(Cl)nc1 ZINC001139990164 1131655103 /nfs/dbraw/zinc/65/51/03/1131655103.db2.gz JQADRAPGHKUACM-UHFFFAOYSA-N 0 3 269.820 3.922 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@H]4CCC[C@@H]43)c2c1 ZINC001140114874 1131665078 /nfs/dbraw/zinc/66/50/78/1131665078.db2.gz DNOLAUSBEMJGSU-KDOFPFPSSA-N 0 3 279.387 3.804 20 30 CHEDHN CC[C@H](NCC1(C#N)CCCC1)c1ccccc1O ZINC000846011697 1131678547 /nfs/dbraw/zinc/67/85/47/1131678547.db2.gz XSYSKIKZUZNIBE-AWEZNQCLSA-N 0 3 258.365 3.517 20 30 CHEDHN CC[C@H]([NH2+]CC1(C#N)CCCC1)c1ccccc1[O-] ZINC000846011697 1131678548 /nfs/dbraw/zinc/67/85/48/1131678548.db2.gz XSYSKIKZUZNIBE-AWEZNQCLSA-N 0 3 258.365 3.517 20 30 CHEDHN C=CC[C@@H](N[C@@H](CC)c1ccncc1)c1ccncc1 ZINC000834589628 1131685954 /nfs/dbraw/zinc/68/59/54/1131685954.db2.gz MIONSUPULVVEJR-DLBZAZTESA-N 0 3 267.376 3.835 20 30 CHEDHN CCOc1ccc2[nH]cc(CN3CCC(C)(C#N)CC3)c2c1 ZINC001140271631 1131686323 /nfs/dbraw/zinc/68/63/23/1131686323.db2.gz GPSVATYPDXMXOO-UHFFFAOYSA-N 0 3 297.402 3.692 20 30 CHEDHN CCCCCCCCN[C@H](C)c1nccn1CC ZINC000834629870 1131689417 /nfs/dbraw/zinc/68/94/17/1131689417.db2.gz QEGTYCYFEOBXAD-CQSZACIVSA-N 0 3 251.418 3.914 20 30 CHEDHN C=CCCCCN[C@H](C)c1nc(Br)cs1 ZINC000834770901 1131704794 /nfs/dbraw/zinc/70/47/94/1131704794.db2.gz ZYENCYJMNINWTQ-SECBINFHSA-N 0 3 289.242 3.913 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2ccc3c(c2)COC3)c1 ZINC000834902327 1131724905 /nfs/dbraw/zinc/72/49/05/1131724905.db2.gz GWHMBFQKPRLPKP-AWEZNQCLSA-N 0 3 277.367 3.549 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCCOc3cc(C)ccc32)c1 ZINC000834902938 1131726472 /nfs/dbraw/zinc/72/64/72/1131726472.db2.gz LOGWUAYXQGUNDH-LJQANCHMSA-N 0 3 291.394 3.980 20 30 CHEDHN CCCCN(Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140542395 1131784803 /nfs/dbraw/zinc/78/48/03/1131784803.db2.gz AVSOFGDFIPLFME-UHFFFAOYSA-N 0 3 279.387 3.756 20 30 CHEDHN N#CC(C(=O)C[C@@H]1CC[C@H]2C[C@H]21)c1nccc2ccccc21 ZINC000835347855 1131823331 /nfs/dbraw/zinc/82/33/31/1131823331.db2.gz DOZZTGLMLIIIFW-XJNFMUPTSA-N 0 3 290.366 3.847 20 30 CHEDHN C=CCN(CC=C)Cc1cc(Br)ccc1C ZINC001140650310 1131846629 /nfs/dbraw/zinc/84/66/29/1131846629.db2.gz GCKHKMMRPNUAKP-UHFFFAOYSA-N 0 3 280.209 3.932 20 30 CHEDHN C=C(Cl)CN[C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000773005055 1131915688 /nfs/dbraw/zinc/91/56/88/1131915688.db2.gz NNXGWMRDTCXGOR-VXGBXAGGSA-N 0 3 253.773 3.529 20 30 CHEDHN COC(C)(C)[C@@H]1CCCN1Cc1cccc(C#N)c1Cl ZINC001140810019 1131931811 /nfs/dbraw/zinc/93/18/11/1131931811.db2.gz QYNXILXXANFCAH-AWEZNQCLSA-N 0 3 292.810 3.601 20 30 CHEDHN CC[C@@H](C#Cc1ccccc1)Oc1ccccc1CN(C)C ZINC001229700993 1132107790 /nfs/dbraw/zinc/10/77/90/1132107790.db2.gz GLGKAEYBYWZUJP-IBGZPJMESA-N 0 3 293.410 3.957 20 30 CHEDHN C=CC[N@@H+](Cc1cc(Cl)c([O-])c(OCC)c1)C(C)C ZINC000838794744 1132147574 /nfs/dbraw/zinc/14/75/74/1132147574.db2.gz VGKCOXHPVUJRTO-UHFFFAOYSA-N 0 3 283.799 3.841 20 30 CHEDHN C=CC[N@H+](Cc1cc(Cl)c([O-])c(OCC)c1)C(C)C ZINC000838794744 1132147578 /nfs/dbraw/zinc/14/75/78/1132147578.db2.gz VGKCOXHPVUJRTO-UHFFFAOYSA-N 0 3 283.799 3.841 20 30 CHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCOC2(CCCCC2)C1 ZINC001172311149 1132155164 /nfs/dbraw/zinc/15/51/64/1132155164.db2.gz QASGQUUAMQZTDZ-INIZCTEOSA-N 0 3 298.430 3.524 20 30 CHEDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172309843 1132155233 /nfs/dbraw/zinc/15/52/33/1132155233.db2.gz CMJXPJHURHUNEH-HNNXBMFYSA-N 0 3 294.398 3.717 20 30 CHEDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172309843 1132155235 /nfs/dbraw/zinc/15/52/35/1132155235.db2.gz CMJXPJHURHUNEH-HNNXBMFYSA-N 0 3 294.398 3.717 20 30 CHEDHN Cc1nc([C@@H](C)N[C@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172295181 1132165899 /nfs/dbraw/zinc/16/58/99/1132165899.db2.gz PUCOYWQMSQXDFW-VXGBXAGGSA-N 0 3 285.416 3.605 20 30 CHEDHN N#CCCOCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000839125831 1132182727 /nfs/dbraw/zinc/18/27/27/1132182727.db2.gz KTCHCLZVRJXAFJ-QGZVFWFLSA-N 0 3 284.403 3.534 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(C3CC3)cc2)c1 ZINC000839126947 1132182979 /nfs/dbraw/zinc/18/29/79/1132182979.db2.gz DBXVSPBGNBCZEU-UHFFFAOYSA-N 0 3 261.368 3.835 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2OC)C1 ZINC001141611434 1132205895 /nfs/dbraw/zinc/20/58/95/1132205895.db2.gz XNGKGBYHSVYQLO-GFCCVEGCSA-N 0 3 297.320 3.559 20 30 CHEDHN Cc1ccc(Cl)c(CN[C@@H](C)CCCC#N)c1F ZINC001172481136 1132229263 /nfs/dbraw/zinc/22/92/63/1132229263.db2.gz PZMDMZMSIGALLC-NSHDSACASA-N 0 3 268.763 3.960 20 30 CHEDHN C[C@@H](CCCC#N)N(C)Cc1nc2ccccc2s1 ZINC001172492461 1132247521 /nfs/dbraw/zinc/24/75/21/1132247521.db2.gz LLZQZDFGRQHHNP-LBPRGKRZSA-N 0 3 273.405 3.810 20 30 CHEDHN C[C@H](CCCC#N)N1CCSC[C@@H]1c1ccc(F)cc1 ZINC001172499559 1132249919 /nfs/dbraw/zinc/24/99/19/1132249919.db2.gz DUGWOELMOUCIRR-CZUORRHYSA-N 0 3 292.423 3.998 20 30 CHEDHN CCCCCCC[C@@H](CCC)N1CCC12COC2 ZINC001172510523 1132257331 /nfs/dbraw/zinc/25/73/31/1132257331.db2.gz DQXNRVBJPHSFAE-OAHLLOKOSA-N 0 3 253.430 3.990 20 30 CHEDHN CCCCCCC[C@@H](CCC)N1C[C@H]2C[C@@H](C1)O2 ZINC001172510997 1132259272 /nfs/dbraw/zinc/25/92/72/1132259272.db2.gz LLTVXDXUVDOTNQ-OAGGEKHMSA-N 0 3 253.430 3.989 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539549 1132275244 /nfs/dbraw/zinc/27/52/44/1132275244.db2.gz IEMXBYRSUFHAHW-IXDOHACOSA-N 0 3 256.393 3.995 20 30 CHEDHN COc1cc(C#N)ccc1CN(C)CCc1ccc(C)cc1 ZINC001231619903 1132326989 /nfs/dbraw/zinc/32/69/89/1132326989.db2.gz LTMHKAVCTSZMMJ-UHFFFAOYSA-N 0 3 294.398 3.550 20 30 CHEDHN CCCCC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC001231616446 1132327290 /nfs/dbraw/zinc/32/72/90/1132327290.db2.gz AXDSQXDERHVOML-UHFFFAOYSA-N 0 3 286.419 3.969 20 30 CHEDHN C#Cc1cccc(CN2Cc3ccccc3[C@@H](C)C2)c1 ZINC001231657738 1132335939 /nfs/dbraw/zinc/33/59/39/1132335939.db2.gz MHEQFDBOQVZKOJ-HNNXBMFYSA-N 0 3 261.368 3.787 20 30 CHEDHN C#Cc1cccc(CN(C)C/C=C/c2ccccc2)c1 ZINC001231664088 1132341719 /nfs/dbraw/zinc/34/17/19/1132341719.db2.gz VSNMAALWAJJDIT-MDWZMJQESA-N 0 3 261.368 3.813 20 30 CHEDHN C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000841762123 1132396787 /nfs/dbraw/zinc/39/67/87/1132396787.db2.gz LYQQQNUHPKZALO-SCLBCKFNSA-N 0 3 292.382 3.992 20 30 CHEDHN CCc1ccc(C[C@H](C)NCc2ccccc2C#N)cc1 ZINC001173234371 1132413663 /nfs/dbraw/zinc/41/36/63/1132413663.db2.gz AMJWSIKKCAZNJK-HNNXBMFYSA-N 0 3 278.399 3.841 20 30 CHEDHN CCCCCCC[N@H+](CC)Cc1cncc([O-])c1 ZINC001232043226 1132414990 /nfs/dbraw/zinc/41/49/90/1132414990.db2.gz QJGREYNKYWACCH-UHFFFAOYSA-N 0 3 250.386 3.580 20 30 CHEDHN CCCCCCC[N@@H+](CC)Cc1cncc([O-])c1 ZINC001232043226 1132414996 /nfs/dbraw/zinc/41/49/96/1132414996.db2.gz QJGREYNKYWACCH-UHFFFAOYSA-N 0 3 250.386 3.580 20 30 CHEDHN CCCC[C@H](CC(C)C)NC(=N)c1ccc(F)cn1 ZINC001173248788 1132418982 /nfs/dbraw/zinc/41/89/82/1132418982.db2.gz GEQIVEZWCMSSFX-CYBMUJFWSA-N 0 3 265.376 3.531 20 30 CHEDHN CCCC[C@H](CC(C)C)NCc1ncc(C#N)s1 ZINC001173256901 1132424727 /nfs/dbraw/zinc/42/47/27/1132424727.db2.gz ORULNOGKLHZGOG-GFCCVEGCSA-N 0 3 265.426 3.709 20 30 CHEDHN CCCCCCCN(CC)Cc1[nH]nc2c1CCC2 ZINC001232425563 1132469867 /nfs/dbraw/zinc/46/98/67/1132469867.db2.gz BIVQLYPDONQSFX-UHFFFAOYSA-N 0 3 263.429 3.691 20 30 CHEDHN N=C(N[C@H]1CCCC2(CCCCC2)C1)c1ccc(F)cn1 ZINC001173349310 1132475011 /nfs/dbraw/zinc/47/50/11/1132475011.db2.gz QIFJNGDQSOGDJR-AWEZNQCLSA-N 0 3 289.398 3.819 20 30 CHEDHN N#Cc1ccc2c(CN3CCc4ccccc4C3)c[nH]c2c1 ZINC001142911850 1132476193 /nfs/dbraw/zinc/47/61/93/1132476193.db2.gz LTQWUACMZCDPHH-UHFFFAOYSA-N 0 3 287.366 3.598 20 30 CHEDHN CCCN(Cc1ccc(Cl)cc1C#N)C1CCOCC1 ZINC001232609727 1132492657 /nfs/dbraw/zinc/49/26/57/1132492657.db2.gz RGSCXFXIBQGLEL-UHFFFAOYSA-N 0 3 292.810 3.603 20 30 CHEDHN CCCCCCCN(C)Cc1scc2c1OCCO2 ZINC001143187247 1132516455 /nfs/dbraw/zinc/51/64/55/1132516455.db2.gz KXAKHVMATQHFHP-UHFFFAOYSA-N 0 3 283.437 3.922 20 30 CHEDHN C=CCC1(NCc2cccnc2Br)CCCC1 ZINC001203137271 1132534897 /nfs/dbraw/zinc/53/48/97/1132534897.db2.gz YJARMSVEHCPXKS-UHFFFAOYSA-N 0 3 295.224 3.823 20 30 CHEDHN N#CCC1CCN(Cc2cncc(-c3ccccc3)c2)CC1 ZINC001232901361 1132540139 /nfs/dbraw/zinc/54/01/39/1132540139.db2.gz KALWLQAQLXAMJT-UHFFFAOYSA-N 0 3 291.398 3.874 20 30 CHEDHN Cc1ccc(CN2CCC[C@H]3CCC[C@H]32)c(C#N)c1 ZINC001232967172 1132552056 /nfs/dbraw/zinc/55/20/56/1132552056.db2.gz GCYJGUNFLYKJJQ-RHSMWYFYSA-N 0 3 254.377 3.631 20 30 CHEDHN CCCCCCCN(C)Cc1cc(C(=O)OCC)ccn1 ZINC001233326257 1132602292 /nfs/dbraw/zinc/60/22/92/1132602292.db2.gz VLMXYILHSSNWSZ-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cc(F)cc(C#N)c1 ZINC001173929991 1132642634 /nfs/dbraw/zinc/64/26/34/1132642634.db2.gz PGALSCHEBPMPQK-UHFFFAOYSA-N 0 3 269.323 3.503 20 30 CHEDHN Cc1nc2ccc(N[C@H](C#N)c3ccccc3)cc2[nH]1 ZINC001161717437 1133019287 /nfs/dbraw/zinc/01/92/87/1133019287.db2.gz CBPQAIQTROWGKB-MRXNPFEDSA-N 0 3 262.316 3.548 20 30 CHEDHN C=CCN1CCC[C@H]1c1ccc(NC(C)=CC(C)=O)cc1 ZINC001163742460 1133170391 /nfs/dbraw/zinc/17/03/91/1133170391.db2.gz IEWZXPQCZLWKTO-HWOXTHGCSA-N 0 3 284.403 3.914 20 30 CHEDHN Cc1ccc(CN2CCC(C#Cc3ccccc3)CC2)o1 ZINC001203301076 1133312148 /nfs/dbraw/zinc/31/21/48/1133312148.db2.gz APWJTJANASHVIG-UHFFFAOYSA-N 0 3 279.383 3.852 20 30 CHEDHN C=C(C)C[C@@H](CO)NCc1ccc(F)c(Cl)c1Cl ZINC001203470366 1133331352 /nfs/dbraw/zinc/33/13/52/1133331352.db2.gz GIFYPHZIQZJRRU-JTQLQIEISA-N 0 3 292.181 3.549 20 30 CHEDHN C=CCCCCN(C)Cc1cc(OC)c(OC)cc1OC ZINC001203498672 1133333637 /nfs/dbraw/zinc/33/36/37/1133333637.db2.gz WRXUEDYFXBBRJU-UHFFFAOYSA-N 0 3 293.407 3.501 20 30 CHEDHN CCCCCCC[N@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203628904 1133347086 /nfs/dbraw/zinc/34/70/86/1133347086.db2.gz IHDKSVKZUVPJNL-UHFFFAOYSA-N 0 3 265.397 3.803 20 30 CHEDHN CCCCCCC[N@@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203628904 1133347093 /nfs/dbraw/zinc/34/70/93/1133347093.db2.gz IHDKSVKZUVPJNL-UHFFFAOYSA-N 0 3 265.397 3.803 20 30 CHEDHN N#Cc1ccccc1CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001204373724 1133441142 /nfs/dbraw/zinc/44/11/42/1133441142.db2.gz UIVXDPKXSVBKIT-CALCHBBNSA-N 0 3 274.367 3.645 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OC(F)F)cc1 ZINC001204423511 1133445521 /nfs/dbraw/zinc/44/55/21/1133445521.db2.gz ZRDGSUPCKSRRMJ-ZSOGYDGISA-N 0 3 292.329 3.555 20 30 CHEDHN C#CCN(Cc1ccc(C(F)F)c(F)c1)CC1CC1 ZINC001204640489 1133470077 /nfs/dbraw/zinc/47/00/77/1133470077.db2.gz LZTRZGJKGQEEIS-UHFFFAOYSA-N 0 3 267.294 3.609 20 30 CHEDHN C=CCN(Cc1cncc(OC)c1C)CC1CCCCC1 ZINC001204924151 1133500449 /nfs/dbraw/zinc/50/04/49/1133500449.db2.gz SEHMAGYQNDKOSH-UHFFFAOYSA-N 0 3 288.435 3.967 20 30 CHEDHN C#Cc1ccc(CN2CC(c3ccc(Cl)cc3)C2)cc1 ZINC001205848568 1133622357 /nfs/dbraw/zinc/62/23/57/1133622357.db2.gz FVQULVDQNGRTAL-UHFFFAOYSA-N 0 3 281.786 3.921 20 30 CHEDHN C[C@H](NCC1(C#N)CCCCC1)[C@H]1COc2ccccc2C1 ZINC001206694925 1133733272 /nfs/dbraw/zinc/73/32/72/1133733272.db2.gz ROBLKNVRTRHPQS-DOTOQJQBSA-N 0 3 298.430 3.690 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2nc3ccccc3o2)C1 ZINC001207604274 1133827690 /nfs/dbraw/zinc/82/76/90/1133827690.db2.gz NZCFDPITUPFMSB-CHWSQXEVSA-N 0 3 256.349 3.662 20 30 CHEDHN Cc1cc(CN(Cc2ccccn2)CC(C)C)ccc1C#N ZINC001207630844 1133834189 /nfs/dbraw/zinc/83/41/89/1133834189.db2.gz HADWRFSHFAJUNF-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN CN(CCc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC001208117937 1133879835 /nfs/dbraw/zinc/87/98/35/1133879835.db2.gz HOPPTXNJRLFFHF-UHFFFAOYSA-N 0 3 286.325 3.511 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN(CCO)Cc2cccs2)CC1 ZINC001208177473 1133898744 /nfs/dbraw/zinc/89/87/44/1133898744.db2.gz TUJSFCIXAQKSFT-MRXNPFEDSA-N 0 3 291.460 3.845 20 30 CHEDHN CN1CC=C(Nc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC001208838201 1133950023 /nfs/dbraw/zinc/95/00/23/1133950023.db2.gz PQZYRGBGSNHAEW-UHFFFAOYSA-N 0 3 289.382 3.857 20 30 CHEDHN N#Cc1cccc(CCCN2CCc3ccc(F)cc3C2)c1 ZINC001208853487 1133952958 /nfs/dbraw/zinc/95/29/58/1133952958.db2.gz NSVMCJGTAPTQQN-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN N#Cc1ccc(CCN2CCc3cccc(Cl)c3C2)cc1 ZINC001208928499 1133964170 /nfs/dbraw/zinc/96/41/70/1133964170.db2.gz FEZNUBHYCQPDEM-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN C=CCCCCCCN1CCN(c2ccc(C)cn2)CC1 ZINC001209435768 1134018116 /nfs/dbraw/zinc/01/81/16/1134018116.db2.gz JFSGTEXYMXQZCW-UHFFFAOYSA-N 0 3 287.451 3.649 20 30 CHEDHN C=CCCCCCCCN1CCC(=O)[C@@H](C)CC1 ZINC001209437975 1134019684 /nfs/dbraw/zinc/01/96/84/1134019684.db2.gz ASXMWJPPXIRNTA-HNNXBMFYSA-N 0 3 251.414 3.814 20 30 CHEDHN COc1ccc2oc(CN3CCC[C@@H](C#N)CC3)cc2c1 ZINC001209772187 1134063815 /nfs/dbraw/zinc/06/38/15/1134063815.db2.gz IZOATZAIPOIZBE-CYBMUJFWSA-N 0 3 284.359 3.567 20 30 CHEDHN C#Cc1ccc(Nc2cccc3c2OCC[C@@H]3N(C)C)cc1 ZINC001210119431 1134152209 /nfs/dbraw/zinc/15/22/09/1134152209.db2.gz LQEZMKRLZBWFQK-SFHVURJKSA-N 0 3 292.382 3.797 20 30 CHEDHN Cc1cc(C#N)ccc1Nc1ccc2c(c1)CN(C)CC2 ZINC001210378622 1134203746 /nfs/dbraw/zinc/20/37/46/1134203746.db2.gz KTXXGUKQQLXUBE-UHFFFAOYSA-N 0 3 277.371 3.598 20 30 CHEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(CC)c2)no1 ZINC001211436312 1134416321 /nfs/dbraw/zinc/41/63/21/1134416321.db2.gz IJCQBZKKDZZNPH-UHFFFAOYSA-N 0 3 297.402 3.798 20 30 CHEDHN Cc1scc(CNCc2ccc(C#N)cc2)c1C ZINC000400011108 1134576669 /nfs/dbraw/zinc/57/66/69/1134576669.db2.gz XKCWUCOCHAVIOP-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN C=C[C@H](O[C@@H]1CNCc2ccccc21)c1ccccc1 ZINC001217940138 1135028718 /nfs/dbraw/zinc/02/87/18/1135028718.db2.gz AXJAZQSSGIJHIQ-ZWKOTPCHSA-N 0 3 265.356 3.775 20 30 CHEDHN C=C[C@@]1(C)CC[C@H](Oc2cccc3c2CNC3)C(C)(C)O1 ZINC001218354703 1135093698 /nfs/dbraw/zinc/09/36/98/1135093698.db2.gz IFTCWDZEAHTYNR-WMZOPIPTSA-N 0 3 287.403 3.571 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2c(c1)N=NC2 ZINC001219414515 1135133371 /nfs/dbraw/zinc/13/33/71/1135133371.db2.gz CJPXDAXDIPTDFD-AWEZNQCLSA-N 0 3 286.379 3.686 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000315368984 1135153247 /nfs/dbraw/zinc/15/32/47/1135153247.db2.gz CMRBQEKKZKFURQ-FQEVSTJZSA-N 0 3 291.394 3.940 20 30 CHEDHN C[C@H](NCCCCC#N)c1sccc1Br ZINC000167257961 334924715 /nfs/dbraw/zinc/92/47/15/334924715.db2.gz BZVVSJUAAJPCNF-VIFPVBQESA-N 0 3 287.226 3.855 20 30 CHEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C1CCC1 ZINC000356110170 529983937 /nfs/dbraw/zinc/98/39/37/529983937.db2.gz AWIWKBFVENKUQD-UHFFFAOYSA-N 0 3 268.282 3.561 20 30 CHEDHN CN(Cc1ccc(F)cc1C#N)[C@@H]1CCC(C)(C)C1 ZINC000361468333 261282898 /nfs/dbraw/zinc/28/28/98/261282898.db2.gz GFXYJOWJODKQAC-OAHLLOKOSA-N 0 3 260.356 3.708 20 30 CHEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000574694702 335040405 /nfs/dbraw/zinc/04/04/05/335040405.db2.gz WQMKQSFLLOIHHB-KSZLIROESA-N 0 3 296.414 3.550 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000186818576 260012569 /nfs/dbraw/zinc/01/25/69/260012569.db2.gz IQTONWIOCKCIJT-OLZOCXBDSA-N 0 3 280.412 3.680 20 30 CHEDHN C[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc(C#N)cc1 ZINC000036991914 260061423 /nfs/dbraw/zinc/06/14/23/260061423.db2.gz BSDDYYPQBSZWQR-CHWSQXEVSA-N 0 3 266.344 3.676 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1 ZINC000335953481 533523987 /nfs/dbraw/zinc/52/39/87/533523987.db2.gz SEWJUUZMJGBBCQ-BFUOFWGJSA-N 0 3 292.382 3.992 20 30 CHEDHN N#Cc1cccc(CN2CCC=C(c3ccccc3)C2)c1 ZINC000341997144 130188963 /nfs/dbraw/zinc/18/89/63/130188963.db2.gz VSQXROSJYWEWAP-UHFFFAOYSA-N 0 3 274.367 3.848 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000035175655 172028426 /nfs/dbraw/zinc/02/84/26/172028426.db2.gz JRUKQVQFJSOXHL-LSDHHAIUSA-N 0 3 272.367 3.709 20 30 CHEDHN N#CC(C(=O)c1cc(F)c2ccccc2c1)c1ccccn1 ZINC000344728824 225144092 /nfs/dbraw/zinc/14/40/92/225144092.db2.gz DKYJBDNXLDNYDV-OAHLLOKOSA-N 0 3 290.297 3.864 20 30 CHEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000334773864 225316861 /nfs/dbraw/zinc/31/68/61/225316861.db2.gz SUYPYTCLOSXNOX-RISCZKNCSA-N 0 3 276.767 3.553 20 30 CHEDHN N#CCC1CCN(Cc2coc3ccccc23)CC1 ZINC000334889799 225350491 /nfs/dbraw/zinc/35/04/91/225350491.db2.gz BOXSWQWEFCVWIK-UHFFFAOYSA-N 0 3 254.333 3.558 20 30 CHEDHN Cc1ncc(CN(Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000347274041 226108157 /nfs/dbraw/zinc/10/81/57/226108157.db2.gz ZDADRYKOXLJLPU-UHFFFAOYSA-N 0 3 299.443 3.981 20 30 CHEDHN N#CCC1CCN(Cc2ccc3occc3c2)CC1 ZINC000336486524 227059875 /nfs/dbraw/zinc/05/98/75/227059875.db2.gz COAKVPNHSBOQJJ-UHFFFAOYSA-N 0 3 254.333 3.558 20 30 CHEDHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356111053 228125562 /nfs/dbraw/zinc/12/55/62/228125562.db2.gz NHCIWTILBWIPAK-GHMZBOCLSA-N 0 3 282.309 3.950 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc3ncccc3c1)CC2 ZINC000353624900 228134211 /nfs/dbraw/zinc/13/42/11/228134211.db2.gz GCTWMLSCRSBMFU-FQEVSTJZSA-N 0 3 299.377 3.884 20 30 CHEDHN COc1cccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000037508464 260114144 /nfs/dbraw/zinc/11/41/44/260114144.db2.gz YRAZXQKZQBSNBK-UONOGXRCSA-N 0 3 280.371 3.979 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000497135632 260142903 /nfs/dbraw/zinc/14/29/03/260142903.db2.gz XUEUXUDENWQUGG-UHFFFAOYSA-N 0 3 286.331 3.863 20 30 CHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000079720663 260176840 /nfs/dbraw/zinc/17/68/40/260176840.db2.gz KMOUQWOZYMJWMT-QGZVFWFLSA-N 0 3 295.342 3.707 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)s1 ZINC000309839332 260193860 /nfs/dbraw/zinc/19/38/60/260193860.db2.gz CJDDFKAHRFDPLT-KXUCPTDWSA-N 0 3 299.237 3.853 20 30 CHEDHN C=C(C)CN(CC)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000513967341 260211129 /nfs/dbraw/zinc/21/11/29/260211129.db2.gz IGJBIDBPCAHUTL-OAHLLOKOSA-N 0 3 267.800 3.926 20 30 CHEDHN CC1(C)CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000087657801 260216497 /nfs/dbraw/zinc/21/64/97/260216497.db2.gz VBOCYKYHTJRRRP-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCCN[C@@H](C)c1ccccc1Br ZINC000088162711 260278771 /nfs/dbraw/zinc/27/87/71/260278771.db2.gz LTFXCKINZNAOME-JTQLQIEISA-N 0 3 254.171 3.676 20 30 CHEDHN C=C(CC)CN[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000313488415 260298301 /nfs/dbraw/zinc/29/83/01/260298301.db2.gz QIVYKHDMKBJLNL-CQSZACIVSA-N 0 3 263.381 3.711 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cnc2ccsc2c1 ZINC000090450983 260359583 /nfs/dbraw/zinc/35/95/83/260359583.db2.gz YSDFXBNROZARKL-GFCCVEGCSA-N 0 3 276.405 3.540 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000090451125 260359857 /nfs/dbraw/zinc/35/98/57/260359857.db2.gz FHSSOGOKQNUVFU-GFCCVEGCSA-N 0 3 285.334 3.531 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccccc1C(F)(F)F ZINC000090450880 260359927 /nfs/dbraw/zinc/35/99/27/260359927.db2.gz RLBYFPBKWUEMIU-LBPRGKRZSA-N 0 3 287.325 3.949 20 30 CHEDHN C=CCCCN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000448025033 260579884 /nfs/dbraw/zinc/57/98/84/260579884.db2.gz BODXGQCHYSEASD-LLVKDONJSA-N 0 3 283.799 3.974 20 30 CHEDHN Cc1cccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000155767670 261107534 /nfs/dbraw/zinc/10/75/34/261107534.db2.gz GXXARXLEYWQOFN-CYBMUJFWSA-N 0 3 299.399 3.821 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(Cl)c2)n1 ZINC000103329121 261280193 /nfs/dbraw/zinc/28/01/93/261280193.db2.gz WDMPEIRVQJTRGG-NSHDSACASA-N 0 3 290.775 3.903 20 30 CHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000177311069 261346850 /nfs/dbraw/zinc/34/68/50/261346850.db2.gz VWOUJRLBQUPRDJ-UHFFFAOYSA-N 0 3 267.294 3.541 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000182520131 261942068 /nfs/dbraw/zinc/94/20/68/261942068.db2.gz KKHFTSPFOLGMHO-JTQLQIEISA-N 0 3 272.270 3.540 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000093003704 262056967 /nfs/dbraw/zinc/05/69/67/262056967.db2.gz PVVAYVJBTPOMFJ-MRXNPFEDSA-N 0 3 280.371 3.921 20 30 CHEDHN N#CCCCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000185797099 262071347 /nfs/dbraw/zinc/07/13/47/262071347.db2.gz YGUJJYKIIGOHRT-UHFFFAOYSA-N 0 3 262.784 3.823 20 30 CHEDHN C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1cccc(C#N)c1 ZINC000186601301 262101933 /nfs/dbraw/zinc/10/19/33/262101933.db2.gz FLDUWYJFHGLCMD-CQSZACIVSA-N 0 3 294.398 3.636 20 30 CHEDHN CC[C@@H]1C[C@]1(NCc1cc(C#N)n(C)c1)c1cccc(C)c1 ZINC000500480967 262154148 /nfs/dbraw/zinc/15/41/48/262154148.db2.gz IAVLFYRQLOFUEV-VQIMIIECSA-N 0 3 293.414 3.620 20 30 CHEDHN CC[C@H](CC#N)NC[C@@H](C)c1cccc(Cl)c1 ZINC000188487003 262157143 /nfs/dbraw/zinc/15/71/43/262157143.db2.gz NPTVDVGQJYTIPN-BXUZGUMPSA-N 0 3 250.773 3.725 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(C(F)F)cc2)C1 ZINC000193292890 262219429 /nfs/dbraw/zinc/21/94/29/262219429.db2.gz KFTCSVSLTJATOK-OCCSQVGLSA-N 0 3 264.319 3.796 20 30 CHEDHN CC(C)(CCC#N)CN[C@@H]1CCOc2c(F)cccc21 ZINC000364627436 262255501 /nfs/dbraw/zinc/25/55/01/262255501.db2.gz CLDVIUYLSWNEBX-CQSZACIVSA-N 0 3 276.355 3.569 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054182490 262260169 /nfs/dbraw/zinc/26/01/69/262260169.db2.gz RBBKCJAFGYHEAJ-JSGCOSHPSA-N 0 3 296.361 3.891 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000185862028 262310546 /nfs/dbraw/zinc/31/05/46/262310546.db2.gz SNCVRVAHKRAGRR-VNHYZAJKSA-N 0 3 260.356 3.867 20 30 CHEDHN Cc1cc([C@@H]2CCCN2CCCCC(C)(C)C#N)on1 ZINC000336828170 262398215 /nfs/dbraw/zinc/39/82/15/262398215.db2.gz VNJHZDNFPMIJFK-AWEZNQCLSA-N 0 3 275.396 3.840 20 30 CHEDHN C[C@H]1SCCN(CCC2(C#N)CCCCC2)[C@@H]1C ZINC000411282120 262686836 /nfs/dbraw/zinc/68/68/36/262686836.db2.gz WYFDXTHQQXTBKP-ZIAGYGMSSA-N 0 3 266.454 3.676 20 30 CHEDHN CC(C)C1CCC(N2CCN([C@H](C)CCC#N)CC2)CC1 ZINC000411337707 262689895 /nfs/dbraw/zinc/68/98/95/262689895.db2.gz UMXAKAGLUOUVRZ-WWDZGPRUSA-N 0 3 291.483 3.511 20 30 CHEDHN COc1cccc(C=C2CCN(CCCCC#N)CC2)c1 ZINC000268452808 262952353 /nfs/dbraw/zinc/95/23/53/262952353.db2.gz JFQABCSDSGRBMY-UHFFFAOYSA-N 0 3 284.403 3.868 20 30 CHEDHN CCc1c2ccccc2oc1[C@H](C)NCCCC#N ZINC000273294451 263014839 /nfs/dbraw/zinc/01/48/39/263014839.db2.gz STIYSTZZDOWHHN-LBPRGKRZSA-N 0 3 256.349 3.950 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(OC(F)F)cc1 ZINC000274416590 263023977 /nfs/dbraw/zinc/02/39/77/263023977.db2.gz HZZRQXAAHRWNIG-LOWVWBTDSA-N 0 3 280.318 3.631 20 30 CHEDHN C[C@@H](c1cccnc1)N(C)CCCCC(C)(C)C#N ZINC000277592433 263042018 /nfs/dbraw/zinc/04/20/18/263042018.db2.gz DJEJMGDARPOJQW-AWEZNQCLSA-N 0 3 259.397 3.794 20 30 CHEDHN CC[C@@H](CC#N)NCCCc1c(F)cccc1Cl ZINC000278483395 263048550 /nfs/dbraw/zinc/04/85/50/263048550.db2.gz JXQYRDBCOCPWQM-NSHDSACASA-N 0 3 268.763 3.694 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2coc3ccccc23)C1 ZINC000278780752 263050980 /nfs/dbraw/zinc/05/09/80/263050980.db2.gz PSVQOHYCORINKA-OCCSQVGLSA-N 0 3 254.333 3.605 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000282185531 263074951 /nfs/dbraw/zinc/07/49/51/263074951.db2.gz GAGDCAISCFQXEY-GVXVVHGQSA-N 0 3 298.308 3.928 20 30 CHEDHN C[C@H](NCC1CCC(C#N)CC1)c1cccc(F)c1F ZINC000282302143 263075652 /nfs/dbraw/zinc/07/56/52/263075652.db2.gz MKVMJQMCLDWEJA-HIFPTAJRSA-N 0 3 278.346 3.945 20 30 CHEDHN N#CCC[C@@H](N[C@@H]1CCC12CCC2)c1ccccc1 ZINC000282406351 263076418 /nfs/dbraw/zinc/07/64/18/263076418.db2.gz YBICAUVZMJPIJY-HZPDHXFCSA-N 0 3 254.377 3.954 20 30 CHEDHN CSc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000282664883 263077934 /nfs/dbraw/zinc/07/79/34/263077934.db2.gz ITKNOARTNQZQOF-JHJVBQTASA-N 0 3 260.406 3.751 20 30 CHEDHN N#CCCCNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284069232 263085749 /nfs/dbraw/zinc/08/57/49/263085749.db2.gz UIDOUVCKJBQHHT-UHFFFAOYSA-N 0 3 291.807 3.857 20 30 CHEDHN Cc1cc2cc(CN[C@@H]3CCC[C@@H](C#N)C3)ccc2[nH]1 ZINC000285544553 263094114 /nfs/dbraw/zinc/09/41/14/263094114.db2.gz DMFCSCKJAVVYAW-CZUORRHYSA-N 0 3 267.376 3.648 20 30 CHEDHN CSc1cccc(F)c1CNCC(C)(C)CCC#N ZINC000285679437 263095002 /nfs/dbraw/zinc/09/50/02/263095002.db2.gz URBVTHCQHANTQL-UHFFFAOYSA-N 0 3 280.412 3.967 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccco1 ZINC000285699104 263095305 /nfs/dbraw/zinc/09/53/05/263095305.db2.gz OYUVWLYSKDFCQV-JKSUJKDBSA-N 0 3 289.350 3.749 20 30 CHEDHN COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000290142677 263114913 /nfs/dbraw/zinc/11/49/13/263114913.db2.gz CGXZNQYQVPZRGS-RCBQFDQVSA-N 0 3 292.810 3.699 20 30 CHEDHN C=C(C)COc1cc(CN[C@H]2CC2(C)C)ccc1OC ZINC000340420657 263138998 /nfs/dbraw/zinc/13/89/98/263138998.db2.gz YQKLKOZOQMEAMK-INIZCTEOSA-N 0 3 275.392 3.538 20 30 CHEDHN COc1ccc2cc(CN(C)[C@H]3CC[C@H](C#N)C3)ccc2c1 ZINC000293508086 263142400 /nfs/dbraw/zinc/14/24/00/263142400.db2.gz OCSGNQLYMMUIMQ-KSSFIOAISA-N 0 3 294.398 3.972 20 30 CHEDHN C=C(CNCc1c[nH]nc1-c1cccs1)c1ccccc1 ZINC000340435274 263145835 /nfs/dbraw/zinc/14/58/35/263145835.db2.gz PTPNYOAFQRBBHI-UHFFFAOYSA-N 0 3 295.411 3.941 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OC(F)F)c(F)c2)C1 ZINC000293840203 263150634 /nfs/dbraw/zinc/15/06/34/263150634.db2.gz XSCYEEXSAVRALX-JQWIXIFHSA-N 0 3 298.308 3.599 20 30 CHEDHN CCn1cc([C@@H](C)NCc2ccccc2C(C)(C)C#N)cn1 ZINC000295918807 263183626 /nfs/dbraw/zinc/18/36/26/263183626.db2.gz FFQLOLFVMSIISL-CQSZACIVSA-N 0 3 296.418 3.555 20 30 CHEDHN Cc1ccc(OC2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000299376747 263241446 /nfs/dbraw/zinc/24/14/46/263241446.db2.gz SHMOZWDEGHFNOC-HNNXBMFYSA-N 0 3 272.392 3.531 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)NCc1nccn1CCc1ccccc1 ZINC000164267400 263270706 /nfs/dbraw/zinc/27/07/06/263270706.db2.gz HVXWPRLVNZBYNC-SJORKVTESA-N 0 3 297.446 3.816 20 30 CHEDHN C=CC[C@H](CO)CN[C@@H](CCC(C)C)c1ccoc1 ZINC000353625581 263277301 /nfs/dbraw/zinc/27/73/01/263277301.db2.gz VYUDIBMQDPCMSZ-HOCLYGCPSA-N 0 3 265.397 3.531 20 30 CHEDHN C#CCCOc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127407437 264255788 /nfs/dbraw/zinc/25/57/88/264255788.db2.gz CQVYUFLFFDFWQS-LJQANCHMSA-N 0 3 294.398 3.754 20 30 CHEDHN N#Cc1cccc(CNCc2cccc(-c3ccncc3)c2)c1 ZINC000343267156 264271545 /nfs/dbraw/zinc/27/15/45/264271545.db2.gz FVJRZGSFJIPKPC-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN CSCc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000189475592 264301952 /nfs/dbraw/zinc/30/19/52/264301952.db2.gz GNOWNHGKZUCHEQ-UHFFFAOYSA-N 0 3 282.412 3.711 20 30 CHEDHN C=CCSCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000180455627 264411237 /nfs/dbraw/zinc/41/12/37/264411237.db2.gz XMAVTYAEBJUCDD-ZDUSSCGKSA-N 0 3 272.417 3.805 20 30 CHEDHN C=CCOc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1 ZINC000516692399 266029325 /nfs/dbraw/zinc/02/93/25/266029325.db2.gz OTYWOJLVGHFPCQ-CYBMUJFWSA-N 0 3 281.346 3.729 20 30 CHEDHN C[C@H]1CCN(Cc2cccc(C#N)c2)CC12CCC2 ZINC000357007576 266232317 /nfs/dbraw/zinc/23/23/17/266232317.db2.gz DRGFHSGWBOITTG-AWEZNQCLSA-N 0 3 254.377 3.570 20 30 CHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000357019312 266232875 /nfs/dbraw/zinc/23/28/75/266232875.db2.gz COVZFQQRCALDMG-CQSZACIVSA-N 0 3 284.403 3.579 20 30 CHEDHN C=CCN(Cc1cc(C)nc2ccccc12)C1CC1 ZINC000357550898 266321140 /nfs/dbraw/zinc/32/11/40/266321140.db2.gz HTRGFFSMFLYMSM-UHFFFAOYSA-N 0 3 252.361 3.694 20 30 CHEDHN C[C@H]1CC[C@]2(CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC000359566496 266601347 /nfs/dbraw/zinc/60/13/47/266601347.db2.gz VUGVEGVROMALRA-GUYCJALGSA-N 0 3 272.367 3.709 20 30 CHEDHN CC(C)(CCC#N)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367904979 267126667 /nfs/dbraw/zinc/12/66/67/267126667.db2.gz SSXNSXFGSDAOMP-HNNXBMFYSA-N 0 3 288.439 3.951 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(-c3cccnc3)cc2)C1 ZINC000368155335 267149247 /nfs/dbraw/zinc/14/92/47/267149247.db2.gz ZMWDBEBOPWFEIM-QFBILLFUSA-N 0 3 291.398 3.921 20 30 CHEDHN C=C(C)CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000368443376 267173119 /nfs/dbraw/zinc/17/31/19/267173119.db2.gz WRLPYWMSPMWCHO-GFCCVEGCSA-N 0 3 274.339 3.722 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCOCC2(CCCC2)C1 ZINC000369962843 267279628 /nfs/dbraw/zinc/27/96/28/267279628.db2.gz ACARQHRCNJKTMU-OAHLLOKOSA-N 0 3 284.403 3.512 20 30 CHEDHN Cc1ccc(C2CC(NCC3(C#N)CCC3)C2)cc1 ZINC000418143963 267365056 /nfs/dbraw/zinc/36/50/56/267365056.db2.gz ROBRFAQEBLNAKG-UHFFFAOYSA-N 0 3 254.377 3.525 20 30 CHEDHN N#CC1(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)CCC1 ZINC000418144978 267366499 /nfs/dbraw/zinc/36/64/99/267366499.db2.gz WDTSUODHMQSRMN-IAGOWNOFSA-N 0 3 268.404 3.681 20 30 CHEDHN CC(C)(C#N)CCCN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000376614802 268001559 /nfs/dbraw/zinc/00/15/59/268001559.db2.gz JVEVNJWBJMVTHD-INIZCTEOSA-N 0 3 290.382 3.609 20 30 CHEDHN C=CC[C@H](CO)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000186689861 327699858 /nfs/dbraw/zinc/69/98/58/327699858.db2.gz UYQCKQOULVIUPV-RKDXNWHRSA-N 0 3 292.181 3.720 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000186692151 327699860 /nfs/dbraw/zinc/69/98/60/327699860.db2.gz WPPPFFIMDDUZRS-HIFRSBDPSA-N 0 3 273.376 3.637 20 30 CHEDHN C=CCOCCN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000388569874 327910170 /nfs/dbraw/zinc/91/01/70/327910170.db2.gz RTSFHKLLVMIJRW-LLVKDONJSA-N 0 3 273.298 3.559 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000320335385 328004270 /nfs/dbraw/zinc/00/42/70/328004270.db2.gz BVVUNUNAZLILAM-GXTWGEPZSA-N 0 3 297.851 3.794 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@@H]2CCCC[C@H]21 ZINC000541107049 328046809 /nfs/dbraw/zinc/04/68/09/328046809.db2.gz LMRMPFAYMTZYLW-ISTRZQFTSA-N 0 3 272.367 3.708 20 30 CHEDHN N#C[C@H]1CC[C@@H](N2CCC(=Cc3cccc(F)c3)CC2)C1 ZINC000563350597 328057196 /nfs/dbraw/zinc/05/71/96/328057196.db2.gz PGJFYEJEFYINHR-FUHWJXTLSA-N 0 3 284.378 3.997 20 30 CHEDHN C=CCC[C@@H](NCCOc1ccc(C#N)cc1)c1ccco1 ZINC000563640020 328079604 /nfs/dbraw/zinc/07/96/04/328079604.db2.gz CGNDSEPRYBTBFY-QGZVFWFLSA-N 0 3 296.370 3.827 20 30 CHEDHN C[C@H]1CN(CCC2(C#N)CCCCC2)CCC1(F)F ZINC000411744936 328098860 /nfs/dbraw/zinc/09/88/60/328098860.db2.gz HDVZICJXAISTKS-ZDUSSCGKSA-N 0 3 270.367 3.828 20 30 CHEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(F)c(Br)c1 ZINC000411765194 328099408 /nfs/dbraw/zinc/09/94/08/328099408.db2.gz AIDROCDVKGQVDL-VHSXEESVSA-N 0 3 299.187 3.931 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1cc(Br)cs1 ZINC000226397156 328167271 /nfs/dbraw/zinc/16/72/71/328167271.db2.gz NVZAZFLRHVQOGA-YUMQZZPRSA-N 0 3 260.200 3.736 20 30 CHEDHN CN(Cc1cccc(OC(F)(F)F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000278623387 328228618 /nfs/dbraw/zinc/22/86/18/328228618.db2.gz NMVKVEGBKOYMQD-AAEUAGOBSA-N 0 3 298.308 3.709 20 30 CHEDHN CN(Cc1cccc(OC(F)(F)F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278623391 328228667 /nfs/dbraw/zinc/22/86/67/328228667.db2.gz NMVKVEGBKOYMQD-DGCLKSJQSA-N 0 3 298.308 3.709 20 30 CHEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000278837136 328230994 /nfs/dbraw/zinc/23/09/94/328230994.db2.gz UMYIWDGPDVROMJ-PYTWLRIVSA-N 0 3 290.382 3.574 20 30 CHEDHN N#Cc1ccc(F)c(CN(C2CCC2)C2CCC2)c1 ZINC000292282477 328269137 /nfs/dbraw/zinc/26/91/37/328269137.db2.gz BWHWZDHXZSVOPT-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN CC[C@H](N[C@H](C)c1cnn(CC)c1)c1ccc(C#N)cc1 ZINC000295896261 328287783 /nfs/dbraw/zinc/28/77/83/328287783.db2.gz IEIOLVZZHDUHPL-DYVFJYSZSA-N 0 3 282.391 3.577 20 30 CHEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1ccoc1)C(C)C ZINC000531940645 328324960 /nfs/dbraw/zinc/32/49/60/328324960.db2.gz CRKUIZHHKNYMDR-WBVHZDCISA-N 0 3 276.424 3.629 20 30 CHEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1ccoc1)C(C)C ZINC000531940642 328325082 /nfs/dbraw/zinc/32/50/82/328325082.db2.gz CRKUIZHHKNYMDR-DOTOQJQBSA-N 0 3 276.424 3.629 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCN(C)c1ccccc1 ZINC000303720928 328357933 /nfs/dbraw/zinc/35/79/33/328357933.db2.gz RRXHIOJKXRMIQN-MRXNPFEDSA-N 0 3 293.414 3.687 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1CCCC(F)(F)C1 ZINC000532016244 328390156 /nfs/dbraw/zinc/39/01/56/328390156.db2.gz PBWVQHFATYXAPJ-CQSZACIVSA-N 0 3 281.346 3.919 20 30 CHEDHN CN(Cc1cccc(O)c1)Cc1ccccc1C(C)(C)C#N ZINC000532013871 328391810 /nfs/dbraw/zinc/39/18/10/328391810.db2.gz SRESVTGKIJJWKO-UHFFFAOYSA-N 0 3 294.398 3.825 20 30 CHEDHN C=CCCOCCN[C@@H]1CC(C)(C)c2ccccc21 ZINC000537952719 326879688 /nfs/dbraw/zinc/87/96/88/326879688.db2.gz QLFYVQCYMODTFB-MRXNPFEDSA-N 0 3 259.393 3.591 20 30 CHEDHN N#Cc1cccc(C2(NC/C=C\c3ccc(F)cc3)CC2)c1 ZINC000556408973 326939784 /nfs/dbraw/zinc/93/97/84/326939784.db2.gz LYZIAJCXFPKXPO-RQOWECAXSA-N 0 3 292.357 3.989 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000584121002 327044084 /nfs/dbraw/zinc/04/40/84/327044084.db2.gz ZKRDNQLEOYEVGY-KDOFPFPSSA-N 0 3 296.414 3.558 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CSC1(C)C)c1ccco1 ZINC000584129264 327047355 /nfs/dbraw/zinc/04/73/55/327047355.db2.gz RQWBKJYAPSDFRM-WCQYABFASA-N 0 3 251.395 3.771 20 30 CHEDHN C=CCCC[C@@H](C)N1CCC2(C1)Oc1ccccc1O2 ZINC000558180644 327078104 /nfs/dbraw/zinc/07/81/04/327078104.db2.gz IEJUATSDUYDMAB-CQSZACIVSA-N 0 3 273.376 3.605 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](COC)c1cccc(Cl)c1F ZINC000558260078 327083992 /nfs/dbraw/zinc/08/39/92/327083992.db2.gz XGDXXLFELVELFM-MFKMUULPSA-N 0 3 271.763 3.721 20 30 CHEDHN CCC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000581313773 327086977 /nfs/dbraw/zinc/08/69/77/327086977.db2.gz RIMDVFODASJOTK-OAHLLOKOSA-N 0 3 289.379 3.771 20 30 CHEDHN C[C@H](NCc1nc(C#N)cs1)[C@@H](C)C1CCCCC1 ZINC000558486135 327097846 /nfs/dbraw/zinc/09/78/46/327097846.db2.gz RRHIJZIDBHANCQ-NEPJUHHUSA-N 0 3 277.437 3.709 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1cccc(OC)c1OC ZINC000553611970 327103045 /nfs/dbraw/zinc/10/30/45/327103045.db2.gz NYINSFGTIOTKQE-CQSZACIVSA-N 0 3 277.408 3.928 20 30 CHEDHN C=CCOCCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000559155713 327144183 /nfs/dbraw/zinc/14/41/83/327144183.db2.gz PZKRQUURNASXOL-UHFFFAOYSA-N 0 3 279.811 3.722 20 30 CHEDHN C=CCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449291442 327151008 /nfs/dbraw/zinc/15/10/08/327151008.db2.gz LLKYQVHIWNWHQW-NSHDSACASA-N 0 3 255.283 3.647 20 30 CHEDHN C=CCC[C@H](N[C@H]1CC[C@@H](C(=O)OCC)C1)c1ccco1 ZINC000560537347 327320938 /nfs/dbraw/zinc/32/09/38/327320938.db2.gz JIKUQWIWGSIFSM-ILXRZTDVSA-N 0 3 291.391 3.608 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CC2)s1 ZINC000561494527 327399604 /nfs/dbraw/zinc/39/96/04/327399604.db2.gz YGMVGQYXIIZUOT-MRXNPFEDSA-N 0 3 286.375 4.000 20 30 CHEDHN CO[C@H](c1ccccc1)[C@H](C)NCc1ccc(CC#N)cc1 ZINC000570682011 327610748 /nfs/dbraw/zinc/61/07/48/327610748.db2.gz MNHRSMINGUSFOO-KXBFYZLASA-N 0 3 294.398 3.618 20 30 CHEDHN C=C1CCN(CCCOc2cc(C)cc(C)c2)CC1 ZINC000519443698 328673632 /nfs/dbraw/zinc/67/36/32/328673632.db2.gz AUTBNCZLHXWTMI-UHFFFAOYSA-N 0 3 259.393 3.724 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@@H](COC)c1ccc(CC)o1 ZINC000532235922 328709949 /nfs/dbraw/zinc/70/99/49/328709949.db2.gz NDLLIYKQQMUZGA-YDHLFZDLSA-N 0 3 265.397 3.720 20 30 CHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CCC)c1ccccc1 ZINC000357298375 328868597 /nfs/dbraw/zinc/86/85/97/328868597.db2.gz ZTIMRULVVBDEER-KRWDZBQOSA-N 0 3 288.435 3.542 20 30 CHEDHN CCO[C@@H](CCN[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000358596854 328889162 /nfs/dbraw/zinc/88/91/62/328889162.db2.gz WHFNJWBPYJGAIM-GUYCJALGSA-N 0 3 292.398 3.799 20 30 CHEDHN CCO[C@@H](CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000193523955 329058500 /nfs/dbraw/zinc/05/85/00/329058500.db2.gz QHKIMZWOCALMFH-BEFAXECRSA-N 0 3 294.398 3.987 20 30 CHEDHN C[C@@H](CCC#N)SCCN(C)Cc1ccccc1 ZINC000193632710 329060307 /nfs/dbraw/zinc/06/03/07/329060307.db2.gz NPFGEQFARPAFKS-AWEZNQCLSA-N 0 3 262.422 3.544 20 30 CHEDHN COc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1C ZINC000193688665 329060814 /nfs/dbraw/zinc/06/08/14/329060814.db2.gz ZQNSVGXEQZUOFX-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C=CC1CCN(Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000171884448 329078009 /nfs/dbraw/zinc/07/80/09/329078009.db2.gz LXHTWDXRIWNCPX-UHFFFAOYSA-N 0 3 297.345 3.695 20 30 CHEDHN C[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000582578172 329110258 /nfs/dbraw/zinc/11/02/58/329110258.db2.gz RNPVWBFDNAALQG-WDEREUQCSA-N 0 3 282.309 3.807 20 30 CHEDHN C[C@H](c1cccc(F)c1)N(C)Cc1ccc(C#N)cc1 ZINC000532899634 329171384 /nfs/dbraw/zinc/17/13/84/329171384.db2.gz ZFWIZEHNSFDDAA-CYBMUJFWSA-N 0 3 268.335 3.890 20 30 CHEDHN C=CCN[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000179701910 329211413 /nfs/dbraw/zinc/21/14/13/329211413.db2.gz HNLBXVHZTJAKPO-AWEZNQCLSA-N 0 3 298.386 3.506 20 30 CHEDHN CC(C)(CCC#N)CNCc1nc2ccccc2n1C1CC1 ZINC000184779411 329264197 /nfs/dbraw/zinc/26/41/97/329264197.db2.gz TXXJIZMKLRMOOA-UHFFFAOYSA-N 0 3 296.418 3.791 20 30 CHEDHN CSc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185796630 329332143 /nfs/dbraw/zinc/33/21/43/329332143.db2.gz TYXZTWHZFUZYAQ-KBPBESRZSA-N 0 3 260.406 3.580 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000185794956 329332169 /nfs/dbraw/zinc/33/21/69/329332169.db2.gz KZEBNSZANQZIGX-SLEUVZQESA-N 0 3 290.794 3.836 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CCCC2(CC2)C1 ZINC000186998471 329352750 /nfs/dbraw/zinc/35/27/50/329352750.db2.gz CMKKIWLKYOUQTI-UHFFFAOYSA-N 0 3 268.404 3.864 20 30 CHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2cc(F)ccc2C#N)C1 ZINC000229957309 329359396 /nfs/dbraw/zinc/35/93/96/329359396.db2.gz OTXCZYCZMFKEEX-MLGOLLRUSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCCOCCN[C@H](CC)c1ccc(Cl)cc1 ZINC000229860650 329360533 /nfs/dbraw/zinc/36/05/33/329360533.db2.gz HHUYXSZFMWQCDJ-OAHLLOKOSA-N 0 3 267.800 3.973 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1nnc(C(C)(C)C)s1 ZINC000271563664 330081213 /nfs/dbraw/zinc/08/12/13/330081213.db2.gz YAQXHDIBBDNFRC-WDEREUQCSA-N 0 3 267.442 3.526 20 30 CHEDHN C#CC[C@H](N[C@H](C)c1cccc(CO)c1)c1ccccc1 ZINC000271874342 330082596 /nfs/dbraw/zinc/08/25/96/330082596.db2.gz HADOGIXJZNBSJF-BEFAXECRSA-N 0 3 279.383 3.594 20 30 CHEDHN C=CCC[C@H](NCc1ccc(CO)cc1)c1ccccc1 ZINC000272519415 330087104 /nfs/dbraw/zinc/08/71/04/330087104.db2.gz PSZSQRFTOHPEJI-IBGZPJMESA-N 0 3 281.399 3.976 20 30 CHEDHN C#CCCN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000273301226 330090610 /nfs/dbraw/zinc/09/06/10/330090610.db2.gz MZDDWUHBTPLGIX-NSHDSACASA-N 0 3 288.391 3.932 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccc(Cl)cc1OC ZINC000421839659 330092727 /nfs/dbraw/zinc/09/27/27/330092727.db2.gz YEGOTDLNFNJAGX-GFCCVEGCSA-N 0 3 283.799 3.592 20 30 CHEDHN C[C@@H](NCC1CCC(C#N)CC1)c1ccncc1Cl ZINC000421863022 330098371 /nfs/dbraw/zinc/09/83/71/330098371.db2.gz XZXCSTBFDIPFCX-PNESKVBLSA-N 0 3 277.799 3.716 20 30 CHEDHN C[C@H](NCC1CCC(C#N)CC1)c1ccncc1Cl ZINC000421863010 330098503 /nfs/dbraw/zinc/09/85/03/330098503.db2.gz XZXCSTBFDIPFCX-HIFPTAJRSA-N 0 3 277.799 3.716 20 30 CHEDHN C=CCC[C@@H](CC)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279432385 330123471 /nfs/dbraw/zinc/12/34/71/330123471.db2.gz GSNKVULXFMPTCH-ZIAGYGMSSA-N 0 3 299.422 3.571 20 30 CHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccccc2)n1 ZINC000080457614 330131229 /nfs/dbraw/zinc/13/12/29/330131229.db2.gz LDZJEVCRPMUFMQ-GFCCVEGCSA-N 0 3 270.357 3.757 20 30 CHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccccc2)n1 ZINC000080457610 330131337 /nfs/dbraw/zinc/13/13/37/330131337.db2.gz LDZJEVCRPMUFMQ-LBPRGKRZSA-N 0 3 270.357 3.757 20 30 CHEDHN C[C@@H](NCc1cccc2c1CCCN2)c1ccc(C#N)cc1 ZINC000423414765 330197524 /nfs/dbraw/zinc/19/75/24/330197524.db2.gz NYNUCPQWSAMVMU-CQSZACIVSA-N 0 3 291.398 3.767 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(CCC(C)(C)C)CC1 ZINC000527191020 330232736 /nfs/dbraw/zinc/23/27/36/330232736.db2.gz KFDFTPSCQNWEKE-INIZCTEOSA-N 0 3 299.462 3.673 20 30 CHEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@H](C)C#N ZINC000527235487 330239778 /nfs/dbraw/zinc/23/97/78/330239778.db2.gz SPIWEBRISOEBPD-WOPDTQHZSA-N 0 3 250.773 3.581 20 30 CHEDHN C=C(C)COCCN[C@H]1CCCc2ccc(Cl)cc21 ZINC000536846598 330248747 /nfs/dbraw/zinc/24/87/47/330248747.db2.gz QSKDNIKXBQAWLK-INIZCTEOSA-N 0 3 279.811 3.900 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccsc2C(F)(F)F)C1 ZINC000527719072 330277085 /nfs/dbraw/zinc/27/70/85/330277085.db2.gz FSEVPASFWGHWFY-WCBMZHEXSA-N 0 3 274.311 3.549 20 30 CHEDHN CC(C)Cc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000527916658 330295154 /nfs/dbraw/zinc/29/51/54/330295154.db2.gz BJJYVUWAOKJOHG-PBHICJAKSA-N 0 3 256.393 3.667 20 30 CHEDHN Cc1ncccc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000527989356 330299166 /nfs/dbraw/zinc/29/91/66/330299166.db2.gz YCKUABJGYJUNJY-IBGZPJMESA-N 0 3 291.398 3.819 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccn2)C2CCC2)C1 ZINC000527962674 330300793 /nfs/dbraw/zinc/30/07/93/330300793.db2.gz HKBAARARZSACDW-FRFSOERESA-N 0 3 269.392 3.595 20 30 CHEDHN Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)c(OC(F)F)cc1C ZINC000424189810 330322805 /nfs/dbraw/zinc/32/28/05/330322805.db2.gz DZMCWJJGKSLJCO-GXTWGEPZSA-N 0 3 294.345 3.687 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000424207150 330327764 /nfs/dbraw/zinc/32/77/64/330327764.db2.gz XIXOBYPDLGPVNN-TVQRCGJNSA-N 0 3 286.272 3.626 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccc(OC)cc1Cl ZINC000424306464 330338142 /nfs/dbraw/zinc/33/81/42/330338142.db2.gz VJUSLFHCBFUQQE-GFCCVEGCSA-N 0 3 283.799 3.592 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000424316724 330339570 /nfs/dbraw/zinc/33/95/70/330339570.db2.gz BFHBFMZVIRQHEU-IJEWVQPXSA-N 0 3 282.387 3.715 20 30 CHEDHN C[C@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000424326589 330341386 /nfs/dbraw/zinc/34/13/86/330341386.db2.gz MEEMUUYYKZHAON-APNQJHFZSA-N 0 3 272.367 3.731 20 30 CHEDHN Cc1ccccc1O[C@@H](C)CNCc1ccc(C#N)cc1F ZINC000533308846 330356831 /nfs/dbraw/zinc/35/68/31/330356831.db2.gz CDVRJBIMAYWGKO-AWEZNQCLSA-N 0 3 298.361 3.563 20 30 CHEDHN Cc1ccccc1O[C@H](C)CNCc1ccc(C#N)cc1F ZINC000533308847 330356854 /nfs/dbraw/zinc/35/68/54/330356854.db2.gz CDVRJBIMAYWGKO-CQSZACIVSA-N 0 3 298.361 3.563 20 30 CHEDHN C=CCCC[C@@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000536995301 330375480 /nfs/dbraw/zinc/37/54/80/330375480.db2.gz BMAUMZFJBIKRKA-CYBMUJFWSA-N 0 3 274.364 3.698 20 30 CHEDHN CN(C/C=C/c1ccccc1)Cc1ccc(C#N)cc1 ZINC000058563130 330390389 /nfs/dbraw/zinc/39/03/89/330390389.db2.gz RKMJDMRQOCOUFU-VMPITWQZSA-N 0 3 262.356 3.703 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2ccccc2)C1 ZINC000120733823 330390813 /nfs/dbraw/zinc/39/08/13/330390813.db2.gz MOSMLDWZUUTALX-KRWDZBQOSA-N 0 3 292.382 3.556 20 30 CHEDHN C=C(C)COCCN[C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000090451133 330392498 /nfs/dbraw/zinc/39/24/98/330392498.db2.gz WIWRJAMQYAEOKV-HNNXBMFYSA-N 0 3 299.361 3.921 20 30 CHEDHN Cc1cscc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000094877289 330429684 /nfs/dbraw/zinc/42/96/84/330429684.db2.gz RWNDLHQZKDPHNJ-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN Cc1cccc(O[C@H](C)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000537292769 330431279 /nfs/dbraw/zinc/43/12/79/330431279.db2.gz OCEHOCBPAKIJHI-CVEARBPZSA-N 0 3 294.398 3.985 20 30 CHEDHN N#Cc1c(F)cccc1CN[C@@H](Cc1ccccc1)C1CC1 ZINC000428353637 330521143 /nfs/dbraw/zinc/52/11/43/330521143.db2.gz VRTFOOCKKWLISE-IBGZPJMESA-N 0 3 294.373 3.808 20 30 CHEDHN C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437577360 330703501 /nfs/dbraw/zinc/70/35/01/330703501.db2.gz JVPBTSVYUJUNME-STQMWFEESA-N 0 3 297.320 3.525 20 30 CHEDHN C=CCCCN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000441026127 330758732 /nfs/dbraw/zinc/75/87/32/330758732.db2.gz HDIAWBUKZXSUCY-QGZVFWFLSA-N 0 3 270.351 3.866 20 30 CHEDHN C=CCC[C@@H](CC)NCc1ccncc1OCC(F)F ZINC000442856124 330787573 /nfs/dbraw/zinc/78/75/73/330787573.db2.gz NPEQXJMJLCNZIG-CYBMUJFWSA-N 0 3 284.350 3.560 20 30 CHEDHN Cc1cc(CN[C@@H]2CCCOc3ccccc32)ccc1C#N ZINC000443981250 330808339 /nfs/dbraw/zinc/80/83/39/330808339.db2.gz FHIGCNVZJBOROO-GOSISDBHSA-N 0 3 292.382 3.870 20 30 CHEDHN C=CC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000447037849 330860065 /nfs/dbraw/zinc/86/00/65/330860065.db2.gz CPEYBOJEZZSGAK-UHFFFAOYSA-N 0 3 259.780 3.590 20 30 CHEDHN CC[C@@H](NC[C@H](OC)c1ccccc1)c1ccc(C#N)cc1 ZINC000447559831 330869898 /nfs/dbraw/zinc/86/98/98/330869898.db2.gz BDRIVUXKSGXMBM-MOPGFXCFSA-N 0 3 294.398 3.987 20 30 CHEDHN CSCc1cc(F)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000447589354 330871998 /nfs/dbraw/zinc/87/19/98/330871998.db2.gz XRAAUQOOAMQVKG-BLLLJJGKSA-N 0 3 292.423 3.861 20 30 CHEDHN CC[C@@H](NC1CCC(C)(C#N)CC1)c1nccs1 ZINC000449160272 330902455 /nfs/dbraw/zinc/90/24/55/330902455.db2.gz LDGIWZSINCSQNY-MBHSVXNSSA-N 0 3 263.410 3.656 20 30 CHEDHN COc1cccc2c(CN3CCC(C)(C#N)CC3)cccc12 ZINC000449231376 330908063 /nfs/dbraw/zinc/90/80/63/330908063.db2.gz OSMIGSPGGWBLFO-UHFFFAOYSA-N 0 3 294.398 3.974 20 30 CHEDHN COCC1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000449239727 330908729 /nfs/dbraw/zinc/90/87/29/330908729.db2.gz LGYFYZVDQOSZGE-OPFPJEHXSA-N 0 3 290.382 3.553 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccc(F)c(Cl)c2)C1 ZINC000449399575 330922490 /nfs/dbraw/zinc/92/24/90/330922490.db2.gz BTXZOCVPOKBYPL-VXGBXAGGSA-N 0 3 296.773 3.530 20 30 CHEDHN COc1ccc(CN[C@H]2CC[C@@H](CC#N)C2)c(Cl)c1 ZINC000449444996 330926168 /nfs/dbraw/zinc/92/61/68/330926168.db2.gz GIXHNQRYQYSLJX-AAEUAGOBSA-N 0 3 278.783 3.521 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(Cl)oc2ccccc21 ZINC000449546412 330935256 /nfs/dbraw/zinc/93/52/56/330935256.db2.gz BQVXLGVFBIRCKF-KGLIPLIRSA-N 0 3 291.778 3.909 20 30 CHEDHN C=C(CC)CNCc1cccc(OCc2ccccn2)c1 ZINC000449732071 330946247 /nfs/dbraw/zinc/94/62/47/330946247.db2.gz KUJPGESJFSBDDH-UHFFFAOYSA-N 0 3 282.387 3.716 20 30 CHEDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162859724 330962633 /nfs/dbraw/zinc/96/26/33/330962633.db2.gz BNULCULVRNUGGA-VXGBXAGGSA-N 0 3 262.784 3.690 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000450823399 331001204 /nfs/dbraw/zinc/00/12/04/331001204.db2.gz UPBOSYNKWSKCLI-IAGOWNOFSA-N 0 3 268.404 3.681 20 30 CHEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000450978879 331009782 /nfs/dbraw/zinc/00/97/82/331009782.db2.gz GOXNPXOQFNDFAZ-KURKYZTESA-N 0 3 280.415 3.948 20 30 CHEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)CC(C)C ZINC000450983374 331010100 /nfs/dbraw/zinc/01/01/00/331010100.db2.gz QEBGKCRXATWMSS-CQSZACIVSA-N 0 3 265.397 3.585 20 30 CHEDHN CN(CC1(C#N)CCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000451036895 331012904 /nfs/dbraw/zinc/01/29/04/331012904.db2.gz MXPICIUHPHWJFY-TXEJJXNPSA-N 0 3 274.330 3.733 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccsc2)cc1 ZINC000451613525 331037010 /nfs/dbraw/zinc/03/70/10/331037010.db2.gz NRFASAHCOCCTMH-SJORKVTESA-N 0 3 285.412 3.848 20 30 CHEDHN CC[C@@H]1CCC[C@@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000453005527 331083328 /nfs/dbraw/zinc/08/33/28/331083328.db2.gz UYAFCMHHHBLUOV-FGTMMUONSA-N 0 3 298.430 3.701 20 30 CHEDHN C=CCC[C@@H](NC[C@@](C)(CC)OC)c1ccco1 ZINC000453291878 331111875 /nfs/dbraw/zinc/11/18/75/331111875.db2.gz BZJWRSVNTORHEI-UKRRQHHQSA-N 0 3 251.370 3.692 20 30 CHEDHN CO[C@](C)(CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000453313096 331115052 /nfs/dbraw/zinc/11/50/52/331115052.db2.gz DHGMPGBNACCSSJ-HNAYVOBHSA-N 0 3 294.398 3.771 20 30 CHEDHN C=C(C)CCN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453317282 331115666 /nfs/dbraw/zinc/11/56/66/331115666.db2.gz LDCWDBWQVQEOPW-CQSZACIVSA-N 0 3 269.392 3.704 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000453352593 331120968 /nfs/dbraw/zinc/12/09/68/331120968.db2.gz JSGVGIWPBLPIGS-KYNGSXCRSA-N 0 3 294.398 3.743 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCSc2ccc(F)cc21 ZINC000453354107 331121170 /nfs/dbraw/zinc/12/11/70/331121170.db2.gz NAVRKCCJOVGELT-KFWWJZLASA-N 0 3 293.407 3.686 20 30 CHEDHN C=CCC[C@H](CO)N[C@H](C)c1sc(C(C)C)nc1C ZINC000453360722 331122334 /nfs/dbraw/zinc/12/23/34/331122334.db2.gz PQBLIYAYVPRFQO-DGCLKSJQSA-N 0 3 282.453 3.553 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCSc2ccccc21 ZINC000453368526 331123686 /nfs/dbraw/zinc/12/36/86/331123686.db2.gz UKNRKQNIKZXMEY-ZNMIVQPWSA-N 0 3 275.417 3.547 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000453373568 331124503 /nfs/dbraw/zinc/12/45/03/331124503.db2.gz SVEGSWVDAFJBGH-OAHLLOKOSA-N 0 3 299.418 3.616 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1SCC ZINC000453377662 331125259 /nfs/dbraw/zinc/12/52/59/331125259.db2.gz YEEMEVUOBURKJP-YUELXQCFSA-N 0 3 277.433 3.793 20 30 CHEDHN CC[C@@H]1CCCC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459407412 331280218 /nfs/dbraw/zinc/28/02/18/331280218.db2.gz MBIBDSUTGDQBNG-DOMZBBRYSA-N 0 3 287.363 3.525 20 30 CHEDHN N#CCC[C@H](NC1CC2(CCC2)C1)c1ccccc1 ZINC000459440780 331281453 /nfs/dbraw/zinc/28/14/53/331281453.db2.gz ADNDHWOWJIMFIT-INIZCTEOSA-N 0 3 254.377 3.954 20 30 CHEDHN C=CC[C@H](CC)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459531473 331286147 /nfs/dbraw/zinc/28/61/47/331286147.db2.gz MONOVOHECIIEBK-LBPRGKRZSA-N 0 3 283.799 3.889 20 30 CHEDHN C=CC(C)(C)C[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459570597 331288379 /nfs/dbraw/zinc/28/83/79/331288379.db2.gz DUWAXDDMPDIRAL-UHFFFAOYSA-N 0 3 283.799 3.746 20 30 CHEDHN C[C@H](CCCc1cccnc1)NCC#Cc1ccc(F)cc1 ZINC000459636252 331291586 /nfs/dbraw/zinc/29/15/86/331291586.db2.gz KCEXYWRGGJYLPX-MRXNPFEDSA-N 0 3 296.389 3.573 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000459648314 331291994 /nfs/dbraw/zinc/29/19/94/331291994.db2.gz KSLZJNZUEOQYRS-SDDRHHMPSA-N 0 3 264.438 3.883 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000459648315 331292061 /nfs/dbraw/zinc/29/20/61/331292061.db2.gz KSLZJNZUEOQYRS-SRVKXCTJSA-N 0 3 264.438 3.883 20 30 CHEDHN COc1ccc(CNCC(C)(C)CC#N)c2ccccc12 ZINC000459686657 331294476 /nfs/dbraw/zinc/29/44/76/331294476.db2.gz GJAKCPFCHHDYBM-UHFFFAOYSA-N 0 3 282.387 3.878 20 30 CHEDHN C[C@H](Cc1cccc(F)c1)N(C)CCC(C)(C)C#N ZINC000459773921 331300173 /nfs/dbraw/zinc/30/01/73/331300173.db2.gz VLTNIYUHUGDRTC-CYBMUJFWSA-N 0 3 262.372 3.628 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC(C)C)c1 ZINC000463240950 331343788 /nfs/dbraw/zinc/34/37/88/331343788.db2.gz XXUYZHQQFWAMFI-NVXWUHKLSA-N 0 3 286.419 3.954 20 30 CHEDHN CC(C)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463296392 331345691 /nfs/dbraw/zinc/34/56/91/331345691.db2.gz TYJNSJWCWLYPCP-NVXWUHKLSA-N 0 3 256.393 3.982 20 30 CHEDHN CCC[C@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000464838195 331370569 /nfs/dbraw/zinc/37/05/69/331370569.db2.gz NGLULAMHYNYJAW-QGZVFWFLSA-N 0 3 256.393 3.960 20 30 CHEDHN C=CC[C@@H](CC)NCc1nc2ccc(F)cc2s1 ZINC000466387572 331394495 /nfs/dbraw/zinc/39/44/95/331394495.db2.gz UWIKLZQJNUHMNA-LLVKDONJSA-N 0 3 264.369 3.880 20 30 CHEDHN C=CC[C@@H](CC)NCc1nc2ccc(Cl)cc2n1C ZINC000466403136 331395197 /nfs/dbraw/zinc/39/51/97/331395197.db2.gz DSJBTRPSDWVCNG-GFCCVEGCSA-N 0 3 277.799 3.671 20 30 CHEDHN CC(C)(C)c1ncc(CNCCc2cccc(C#N)c2)s1 ZINC000466426044 331396644 /nfs/dbraw/zinc/39/66/44/331396644.db2.gz RAUZHPBERJTILG-UHFFFAOYSA-N 0 3 299.443 3.645 20 30 CHEDHN C[C@@H]1CCC[C@H](CCN2CCC(F)(C#N)CC2)C1 ZINC000510952448 332921888 /nfs/dbraw/zinc/92/18/88/332921888.db2.gz ZLMUIMKYUDLTIZ-ZIAGYGMSSA-N 0 3 252.377 3.530 20 30 CHEDHN C=CCOc1cccc(CNC[C@@H](C)C(F)(F)F)c1 ZINC000479603890 331740193 /nfs/dbraw/zinc/74/01/93/331740193.db2.gz RTIRKMOQFDSTDO-LLVKDONJSA-N 0 3 273.298 3.539 20 30 CHEDHN C=C(C)[C@@H](NC1CC(OCC)C1)c1ccc(F)c(F)c1 ZINC000480677017 331783754 /nfs/dbraw/zinc/78/37/54/331783754.db2.gz PKNQXAXTBSGYKB-SEEARECTSA-N 0 3 281.346 3.739 20 30 CHEDHN C=CC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488316084 331999445 /nfs/dbraw/zinc/99/94/45/331999445.db2.gz RKBQSTUMCJQBLF-UHFFFAOYSA-N 0 3 258.340 3.705 20 30 CHEDHN C=CCn1cccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000488703586 332022157 /nfs/dbraw/zinc/02/21/57/332022157.db2.gz QHJXYUHANBSJGB-GFCCVEGCSA-N 0 3 299.399 3.744 20 30 CHEDHN N#Cc1cc(F)ccc1CN1CCC[C@H]1C1CCCC1 ZINC000489580117 332060246 /nfs/dbraw/zinc/06/02/46/332060246.db2.gz USVBVZIBMMRCIJ-KRWDZBQOSA-N 0 3 272.367 3.852 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccc(F)cc1 ZINC000491261676 332175935 /nfs/dbraw/zinc/17/59/35/332175935.db2.gz VJVUOOIFZSGZOI-UHFFFAOYSA-N 0 3 259.324 3.649 20 30 CHEDHN CC[C@H](C)[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000491598435 332242133 /nfs/dbraw/zinc/24/21/33/332242133.db2.gz GSPZRBYOOHXIND-WDEREUQCSA-N 0 3 295.224 3.845 20 30 CHEDHN C#C[C@@H](NCc1cccc(OCCCC#N)c1)C(C)(C)C ZINC000491692670 332289127 /nfs/dbraw/zinc/28/91/27/332289127.db2.gz JBMBTKBKFZOHMA-QGZVFWFLSA-N 0 3 284.403 3.507 20 30 CHEDHN C[C@@H](NCCc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000503580737 332693246 /nfs/dbraw/zinc/69/32/46/332693246.db2.gz DZRGMAJSFDYCBP-GFCCVEGCSA-N 0 3 286.325 3.730 20 30 CHEDHN C=C(C)CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000512375535 332965432 /nfs/dbraw/zinc/96/54/32/332965432.db2.gz UFJPKSULIQZEGC-UHFFFAOYSA-N 0 3 263.287 3.891 20 30 CHEDHN C[C@H](N[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512659381 332978361 /nfs/dbraw/zinc/97/83/61/332978361.db2.gz GIPFFWSXGVKVRV-URKNILKWSA-N 0 3 294.373 3.979 20 30 CHEDHN CCC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000512659582 332978386 /nfs/dbraw/zinc/97/83/86/332978386.db2.gz IGLQEZWSLGLCCL-LBPRGKRZSA-N 0 3 260.356 3.928 20 30 CHEDHN C[C@H](NCCc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512661553 332978606 /nfs/dbraw/zinc/97/86/06/332978606.db2.gz SLXMDGVWJVDVMF-LBPRGKRZSA-N 0 3 286.325 3.730 20 30 CHEDHN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000512668196 332979117 /nfs/dbraw/zinc/97/91/17/332979117.db2.gz TWLBLVDTAIXECU-DGCLKSJQSA-N 0 3 260.356 3.927 20 30 CHEDHN Cc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000513061568 333002152 /nfs/dbraw/zinc/00/21/52/333002152.db2.gz BNYSWOFVPJBWHI-CQSZACIVSA-N 0 3 282.412 3.918 20 30 CHEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)c(Cl)c1 ZINC000311968114 333075129 /nfs/dbraw/zinc/07/51/29/333075129.db2.gz AOAMDDLSTSLKEI-KBPBESRZSA-N 0 3 274.795 3.834 20 30 CHEDHN CCC(CC)N(Cc1cc(C#N)ccc1F)C1CC1 ZINC000517125058 333093133 /nfs/dbraw/zinc/09/31/33/333093133.db2.gz PNFOYUQLYLVBMK-UHFFFAOYSA-N 0 3 260.356 3.850 20 30 CHEDHN C=CCCCCCNCc1cnc(C(C)(C)C)nc1 ZINC000517245837 333095624 /nfs/dbraw/zinc/09/56/24/333095624.db2.gz DBIURMRPDVZYOH-UHFFFAOYSA-N 0 3 261.413 3.610 20 30 CHEDHN CC(C)(C)OCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000521144251 333112510 /nfs/dbraw/zinc/11/25/10/333112510.db2.gz XKQSFUMGFZGBRF-QGZVFWFLSA-N 0 3 286.419 3.730 20 30 CHEDHN C=C(C)[C@@H](N[C@H](C)C1CC1)c1ccc(F)c(F)c1 ZINC000186446550 333161091 /nfs/dbraw/zinc/16/10/91/333161091.db2.gz JOKXIZZNWCODNY-MEBBXXQBSA-N 0 3 251.320 3.970 20 30 CHEDHN C=CCCOCCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000223199313 333205390 /nfs/dbraw/zinc/20/53/90/333205390.db2.gz OACOXYPMMWUNHK-MRXNPFEDSA-N 0 3 279.811 3.973 20 30 CHEDHN C[C@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@@H]1c1ccccc1 ZINC000191403294 333219202 /nfs/dbraw/zinc/21/92/02/333219202.db2.gz AHRXFFJKCIJCTJ-KXBFYZLASA-N 0 3 293.414 3.522 20 30 CHEDHN CN(CCc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191960002 333227699 /nfs/dbraw/zinc/22/76/99/333227699.db2.gz AQQLSOVJMIRXBU-UHFFFAOYSA-N 0 3 286.325 3.511 20 30 CHEDHN C=CC1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000523609451 333334063 /nfs/dbraw/zinc/33/40/63/333334063.db2.gz QKFRTFLOHRBYFC-UHFFFAOYSA-N 0 3 267.319 3.686 20 30 CHEDHN Cc1cccc(CN(C)CCCCC(C)(C)C#N)n1 ZINC000234272514 333359298 /nfs/dbraw/zinc/35/92/98/333359298.db2.gz MDNPZAIBYYOOJA-UHFFFAOYSA-N 0 3 259.397 3.542 20 30 CHEDHN C=CCCCCCN(C)Cc1cc(C(=O)OC)oc1C ZINC000524610209 333368764 /nfs/dbraw/zinc/36/87/64/333368764.db2.gz UNLDLIMNHAHKSC-UHFFFAOYSA-N 0 3 279.380 3.553 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000237786184 333381487 /nfs/dbraw/zinc/38/14/87/333381487.db2.gz XXWXKYBODFKAGK-KRWDZBQOSA-N 0 3 282.774 3.989 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncccc1Cl ZINC000528546962 333445714 /nfs/dbraw/zinc/44/57/14/333445714.db2.gz WPWDOFPKZHHJHW-GXTWGEPZSA-N 0 3 264.800 3.960 20 30 CHEDHN C=C(CC)CN1CCC(Nc2cccc(OC)c2)CC1 ZINC000538005080 333570745 /nfs/dbraw/zinc/57/07/45/333570745.db2.gz SRHSZSYGWOWYSV-UHFFFAOYSA-N 0 3 274.408 3.538 20 30 CHEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000538410292 333589494 /nfs/dbraw/zinc/58/94/94/333589494.db2.gz LYUWUZLEMISQAC-MNOVXSKESA-N 0 3 286.297 3.610 20 30 CHEDHN C=C(C)COCCN[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000539060534 333653426 /nfs/dbraw/zinc/65/34/26/333653426.db2.gz TUQBHGKPTQXDQD-GUYCJALGSA-N 0 3 277.383 3.631 20 30 CHEDHN C[C@H](NCc1ccc2ncccc2c1)c1cccc(C#N)c1 ZINC000174431812 335154617 /nfs/dbraw/zinc/15/46/17/335154617.db2.gz DEDCYYAEPINLSR-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN C=CCN[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000540379307 333727426 /nfs/dbraw/zinc/72/74/26/333727426.db2.gz NGWXFPVURMBNPC-GOSISDBHSA-N 0 3 285.362 3.894 20 30 CHEDHN Cc1cccc(OC[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000540596039 333736756 /nfs/dbraw/zinc/73/67/56/333736756.db2.gz JHSZPLOKKIYDHN-CVEARBPZSA-N 0 3 294.398 3.985 20 30 CHEDHN Cc1ccc(SCCNCc2cccc(C#N)c2)cc1 ZINC000070946957 333840012 /nfs/dbraw/zinc/84/00/12/333840012.db2.gz NXGSHFVBYDQLMC-UHFFFAOYSA-N 0 3 282.412 3.749 20 30 CHEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000543777982 333898198 /nfs/dbraw/zinc/89/81/98/333898198.db2.gz ZDGJKXYPBNTTSK-BLLLJJGKSA-N 0 3 299.817 3.950 20 30 CHEDHN C=CC[C@@H](CC)NCc1cc2ccccc2nc1OC ZINC000545992779 334011097 /nfs/dbraw/zinc/01/10/97/334011097.db2.gz AUUAGFGPQRKHPO-OAHLLOKOSA-N 0 3 270.376 3.688 20 30 CHEDHN CC(C)CC[C@@H]1CCC[C@H]1NCc1ccc(C#N)o1 ZINC000236614938 334058899 /nfs/dbraw/zinc/05/88/99/334058899.db2.gz JCZFTGBCCTZQCS-XJKSGUPXSA-N 0 3 260.381 3.846 20 30 CHEDHN C[C@]1(NCc2cc(C#N)cs2)CCCc2ccccc21 ZINC000547286330 334075968 /nfs/dbraw/zinc/07/59/68/334075968.db2.gz OFJBPAFOHYMGHQ-KRWDZBQOSA-N 0 3 282.412 3.961 20 30 CHEDHN CC[C@@H]1CCCCCN1Cc1cc(C#N)ccc1F ZINC000134725339 334101865 /nfs/dbraw/zinc/10/18/65/334101865.db2.gz WAZAJCBPDHEIQO-OAHLLOKOSA-N 0 3 260.356 3.852 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CCSC(C)(C)C1 ZINC000135279938 334123351 /nfs/dbraw/zinc/12/33/51/334123351.db2.gz QFODYMVLTBVGJZ-UHFFFAOYSA-N 0 3 288.460 3.815 20 30 CHEDHN N#CCC[C@H](C#N)CNC1CCC(c2ccccc2)CC1 ZINC000548788283 334173934 /nfs/dbraw/zinc/17/39/34/334173934.db2.gz COSJWPQJJOCEFT-FAEJEUNOSA-N 0 3 281.403 3.746 20 30 CHEDHN CC(C)Oc1ccccc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000549536216 334196752 /nfs/dbraw/zinc/19/67/52/334196752.db2.gz PJLZHLSPQPFJOZ-RRFJBIMHSA-N 0 3 272.392 3.817 20 30 CHEDHN C=CCOCCN[C@H](Cc1ccccc1)c1cccs1 ZINC000549931822 334209334 /nfs/dbraw/zinc/20/93/34/334209334.db2.gz KUERVBODKNMCMX-MRXNPFEDSA-N 0 3 287.428 3.824 20 30 CHEDHN C=CCOCCN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000550105714 334213315 /nfs/dbraw/zinc/21/33/15/334213315.db2.gz TWPRUPZLVPVDAU-HNNXBMFYSA-N 0 3 297.851 3.709 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@H](c2ccccc2)C1 ZINC000552061508 334283235 /nfs/dbraw/zinc/28/32/35/334283235.db2.gz NYIBTCJQIOQJPE-SFHVURJKSA-N 0 3 276.383 3.938 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@@H](c1nccn1C)C1CC1 ZINC000552087577 334287741 /nfs/dbraw/zinc/28/77/41/334287741.db2.gz LDAUWMMBTVCWRL-HUUCEWRRSA-N 0 3 261.413 3.596 20 30 CHEDHN CC1(C)CN(Cc2ccc(C#N)s2)[C@H]2CCC[C@H]21 ZINC000552139687 334294399 /nfs/dbraw/zinc/29/43/99/334294399.db2.gz RVXHQUJQCCDFNG-KGLIPLIRSA-N 0 3 260.406 3.630 20 30 CHEDHN C=CCC[C@H](N[C@H]1C[C@H](OC)C1(C)C)c1ccco1 ZINC000552268545 334310355 /nfs/dbraw/zinc/31/03/55/334310355.db2.gz OZDABFYKPUUHCL-QEJZJMRPSA-N 0 3 263.381 3.690 20 30 CHEDHN CCc1ccc([C@@H]2CCN(Cc3ccc(C#N)o3)C2)cc1 ZINC000552273194 334310961 /nfs/dbraw/zinc/31/09/61/334310961.db2.gz WTVNFMSPAQWLLZ-MRXNPFEDSA-N 0 3 280.371 3.703 20 30 CHEDHN COC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000248733133 334315205 /nfs/dbraw/zinc/31/52/05/334315205.db2.gz MPYOABQGSQPGLO-KCXAZCMYSA-N 0 3 292.810 3.699 20 30 CHEDHN C=CCC[C@@H](C)NCc1c(F)cccc1SC ZINC000552323708 334317030 /nfs/dbraw/zinc/31/70/30/334317030.db2.gz OZWRQVGTJISULS-LLVKDONJSA-N 0 3 253.386 3.992 20 30 CHEDHN N#CCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000249034736 334325446 /nfs/dbraw/zinc/32/54/46/334325446.db2.gz SCBYFEQLXFJBGK-OIISXLGYSA-N 0 3 267.376 3.703 20 30 CHEDHN C=C(C)[C@H](N[C@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000249160926 334329203 /nfs/dbraw/zinc/32/92/03/334329203.db2.gz YVHVAIYHVWJOLG-UVBJJODRSA-N 0 3 281.346 3.597 20 30 CHEDHN C=C(C)[C@H](N[C@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1 ZINC000249160922 334329336 /nfs/dbraw/zinc/32/93/36/334329336.db2.gz YVHVAIYHVWJOLG-RLCCDNCMSA-N 0 3 281.346 3.597 20 30 CHEDHN C[C@H](CC#N)N(C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000249775423 334340421 /nfs/dbraw/zinc/34/04/21/334340421.db2.gz KGLCGJMICRGHQZ-HYVNUMGLSA-N 0 3 256.393 3.731 20 30 CHEDHN C=CCC[C@H](NCc1ccn(C2CCCC2)n1)C1CC1 ZINC000090547199 334363215 /nfs/dbraw/zinc/36/32/15/334363215.db2.gz YXLARIDVQOQKEF-KRWDZBQOSA-N 0 3 273.424 3.833 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000090883453 334369052 /nfs/dbraw/zinc/36/90/52/334369052.db2.gz FAMDOLHEQYPRHE-ZDUSSCGKSA-N 0 3 299.361 3.840 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](COC)c1cccc(Cl)c1 ZINC000554989084 334463664 /nfs/dbraw/zinc/46/36/64/334463664.db2.gz VEKVFLZKGCVDPB-RISCZKNCSA-N 0 3 253.773 3.582 20 30 CHEDHN C=CC[C@@H](CC)[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000566591104 334656824 /nfs/dbraw/zinc/65/68/24/334656824.db2.gz RYLLOZBKNPBEGM-GFCCVEGCSA-N 0 3 273.298 3.855 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000343842536 335221828 /nfs/dbraw/zinc/22/18/28/335221828.db2.gz SWWCRYWURZKXAN-AWEZNQCLSA-N 0 3 280.371 3.612 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000580691334 335328028 /nfs/dbraw/zinc/32/80/28/335328028.db2.gz BCLYUHOVSQPYHH-CABCVRRESA-N 0 3 274.795 3.869 20 30 CHEDHN C=CCC[C@H](N[C@H](CO)Cc1cccc(C)c1)c1ccco1 ZINC000577382875 335345795 /nfs/dbraw/zinc/34/57/95/335345795.db2.gz QRWRKNIRUBUXQK-ROUUACIJSA-N 0 3 299.414 3.789 20 30 CHEDHN N#CCC1(CN[C@H]2CCc3c2cccc3Cl)CC1 ZINC000577452081 335353583 /nfs/dbraw/zinc/35/35/83/335353583.db2.gz UOLPGHSGWPHSEK-AWEZNQCLSA-N 0 3 260.768 3.611 20 30 CHEDHN C[C@@H]1CCc2ccccc2[C@H]1NCc1cccc(C#N)c1 ZINC000179394444 335491578 /nfs/dbraw/zinc/49/15/78/335491578.db2.gz PYEKEHVDBOMVNT-KUHUBIRLSA-N 0 3 276.383 3.971 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C2CCOCC2)CC1 ZINC000579074813 335706343 /nfs/dbraw/zinc/70/63/43/335706343.db2.gz BSTIUZQPDAVWOJ-OAHLLOKOSA-N 0 3 298.430 3.758 20 30 CHEDHN C=CCCC[C@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000181038287 335748606 /nfs/dbraw/zinc/74/86/06/335748606.db2.gz DJKAXIZNARPASR-AWEZNQCLSA-N 0 3 289.423 3.615 20 30 CHEDHN C[C@@]1(CNCc2ccc(C#N)o2)CCCc2ccccc21 ZINC000182005356 335794346 /nfs/dbraw/zinc/79/43/46/335794346.db2.gz HXXYDUNQOJDWSD-SFHVURJKSA-N 0 3 280.371 3.535 20 30 CHEDHN Cc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)s1 ZINC000361749431 335849009 /nfs/dbraw/zinc/84/90/09/335849009.db2.gz DZFYPSYMXKVGRH-NSHDSACASA-N 0 3 274.364 3.918 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)C1CCCCC1)c1ccco1 ZINC000581256729 336033086 /nfs/dbraw/zinc/03/30/86/336033086.db2.gz ISIPAFQPBGLHSD-CVEARBPZSA-N 0 3 277.408 3.818 20 30 CHEDHN C=CCN(C)[C@H](C)c1ccc(Br)cc1 ZINC000194971034 336041353 /nfs/dbraw/zinc/04/13/53/336041353.db2.gz MEXXADSNZOJERX-SNVBAGLBSA-N 0 3 254.171 3.628 20 30 CHEDHN CC(C)[C@H](C)N(C)Cc1ccc(Br)cc1C#N ZINC000383347256 336107486 /nfs/dbraw/zinc/10/74/86/336107486.db2.gz NBCLHTYDAVXRSC-NSHDSACASA-N 0 3 295.224 3.797 20 30 CHEDHN C=CC(C)(C)CN[C@H](C)c1cc(OC)ccc1OC ZINC000384904732 336134158 /nfs/dbraw/zinc/13/41/58/336134158.db2.gz BTPZIUWYHAPKBS-GFCCVEGCSA-N 0 3 263.381 3.567 20 30 CHEDHN C[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000332234118 534054476 /nfs/dbraw/zinc/05/44/76/534054476.db2.gz QEWSCCUGCUZPGN-WWGRRREGSA-N 0 3 285.391 3.503 20 30 CHEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCCCC#N ZINC000354842481 534060579 /nfs/dbraw/zinc/06/05/79/534060579.db2.gz WJKFUIFCQRHMGK-OLZOCXBDSA-N 0 3 260.356 3.827 20 30 CHEDHN CCN(Cc1ccc(C#N)o1)[C@H](C)Cc1ccc(OC)cc1 ZINC000128410552 521298406 /nfs/dbraw/zinc/29/84/06/521298406.db2.gz HJWJFSBALZQQQU-CQSZACIVSA-N 0 3 298.386 3.613 20 30 CHEDHN CCN(Cc1ccc(C#N)o1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000128410308 521299412 /nfs/dbraw/zinc/29/94/12/521299412.db2.gz HJWJFSBALZQQQU-AWEZNQCLSA-N 0 3 298.386 3.613 20 30 CHEDHN CC[C@H](NCc1ccc(OC)c(O)c1)c1ccc(C#N)cc1 ZINC000278786666 522649929 /nfs/dbraw/zinc/64/99/29/522649929.db2.gz QDYSEXGAPGNZTH-INIZCTEOSA-N 0 3 296.370 3.513 20 30 CHEDHN CC[C@@H](NCc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000278251378 522885234 /nfs/dbraw/zinc/88/52/34/522885234.db2.gz MMGCZLDEXBLLGU-GOSISDBHSA-N 0 3 280.371 3.808 20 30 CHEDHN CC[C@@H](NCc1cccs1)c1ccc(C#N)cc1 ZINC000278240434 522887129 /nfs/dbraw/zinc/88/71/29/522887129.db2.gz LIHKNSHRQGXHHT-OAHLLOKOSA-N 0 3 256.374 3.861 20 30 CHEDHN C[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356111060 524398792 /nfs/dbraw/zinc/39/87/92/524398792.db2.gz NHCIWTILBWIPAK-QWRGUYRKSA-N 0 3 282.309 3.950 20 30 CHEDHN C[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356111054 524659922 /nfs/dbraw/zinc/65/99/22/524659922.db2.gz NHCIWTILBWIPAK-PHIMTYICSA-N 0 3 282.309 3.950 20 30 CHEDHN COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000129852259 524814447 /nfs/dbraw/zinc/81/44/47/524814447.db2.gz HZUSXNQLQSNSCE-ZDUSSCGKSA-N 0 3 298.411 3.618 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C#N)o1 ZINC000127567962 525288502 /nfs/dbraw/zinc/28/85/02/525288502.db2.gz SVNMNYXNYMRTOW-UKRRQHHQSA-N 0 3 266.344 3.529 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289689826 526042346 /nfs/dbraw/zinc/04/23/46/526042346.db2.gz ICHOQUDSSIVFSB-KBRIMQKVSA-N 0 3 284.403 3.509 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278610238 526042813 /nfs/dbraw/zinc/04/28/13/526042813.db2.gz FJMAUQGSFUJIEB-YPMHNXCESA-N 0 3 282.309 3.894 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289690430 526043240 /nfs/dbraw/zinc/04/32/40/526043240.db2.gz VTVURTGQGPXIDK-JLSDUUJJSA-N 0 3 296.414 3.653 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@H](C)C1 ZINC000290011566 526044147 /nfs/dbraw/zinc/04/41/47/526044147.db2.gz ZSOQANIEBABSAL-VXGBXAGGSA-N 0 3 264.319 3.596 20 30 CHEDHN N#Cc1ccc(CNCCc2ccccc2C(F)(F)F)o1 ZINC000266219550 526622647 /nfs/dbraw/zinc/62/26/47/526622647.db2.gz QRKYJTAOBQCEDW-UHFFFAOYSA-N 0 3 294.276 3.502 20 30 CHEDHN C=C(C)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352819215 526626329 /nfs/dbraw/zinc/62/63/29/526626329.db2.gz WFTKMESUHRNGFE-CYBMUJFWSA-N 0 3 274.191 3.583 20 30 CHEDHN C=CCOc1ccccc1CN1CCCC2(CC2)C1 ZINC000351890818 526932186 /nfs/dbraw/zinc/93/21/86/526932186.db2.gz KXEJOGHHSJSXJG-UHFFFAOYSA-N 0 3 257.377 3.627 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343842847 527139224 /nfs/dbraw/zinc/13/92/24/527139224.db2.gz RZJGQFGFIOXISV-YUMQZZPRSA-N 0 3 264.316 3.777 20 30 CHEDHN C=CCCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000344399326 527199793 /nfs/dbraw/zinc/19/97/93/527199793.db2.gz JLNVKPSOGFKMGS-ZDUSSCGKSA-N 0 3 263.406 3.752 20 30 CHEDHN CC(C)(NCc1cc(C#N)cs1)c1cccs1 ZINC000344308794 527293628 /nfs/dbraw/zinc/29/36/28/527293628.db2.gz PFLGIVAOCAQNFU-UHFFFAOYSA-N 0 3 262.403 3.706 20 30 CHEDHN C=CCCC[C@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000347635662 527296240 /nfs/dbraw/zinc/29/62/40/527296240.db2.gz LHLYUHQVMIKURC-JSGCOSHPSA-N 0 3 251.370 3.610 20 30 CHEDHN C=CCC[C@H](NCCNc1cccc(C)n1)c1ccco1 ZINC000353615985 527484521 /nfs/dbraw/zinc/48/45/21/527484521.db2.gz XTPWEXWPRMEJIL-HNNXBMFYSA-N 0 3 285.391 3.692 20 30 CHEDHN C=CCC[C@H](NCCC(=O)OC(C)(C)C)c1ccco1 ZINC000353519947 527484583 /nfs/dbraw/zinc/48/45/83/527484583.db2.gz NZPBRARYKFVGPX-ZDUSSCGKSA-N 0 3 279.380 3.608 20 30 CHEDHN CCC(CC)[C@H](CCNCc1ccc(C#N)cc1F)OC ZINC000344854540 528851554 /nfs/dbraw/zinc/85/15/54/528851554.db2.gz NDBVRXCZSFZBKR-KRWDZBQOSA-N 0 3 292.398 3.628 20 30 CHEDHN C=CCCCCCCCN1CCCCC12COC2 ZINC001209439575 1118059440 /nfs/dbraw/zinc/05/94/40/1118059440.db2.gz TUPGDUUMHKAXRJ-UHFFFAOYSA-N 0 3 251.414 3.768 20 30 CHEDHN C=CCOCCN[C@H](CCC(C)C)c1ccoc1 ZINC000671759983 1118353820 /nfs/dbraw/zinc/35/38/20/1118353820.db2.gz GHFAMGRHRUPTOB-OAHLLOKOSA-N 0 3 251.370 3.549 20 30 CHEDHN CCS[C@H]1CCCCN(Cc2cc(C#N)cs2)C1 ZINC000093361868 1120559537 /nfs/dbraw/zinc/55/95/37/1120559537.db2.gz ABVGAXYHLOSXFK-ZDUSSCGKSA-N 0 3 280.462 3.727 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001174890487 1121057227 /nfs/dbraw/zinc/05/72/27/1121057227.db2.gz HIJWPSYVLXBSEX-LBPRGKRZSA-N 0 3 260.768 3.610 20 30 CHEDHN C#CCN(Cc1cc(Br)ccc1C)C(C)C ZINC001176373528 1121618490 /nfs/dbraw/zinc/61/84/90/1121618490.db2.gz RMORZWDBEGCFDZ-UHFFFAOYSA-N 0 3 280.209 3.601 20 30 CHEDHN CC(C)(C)c1ccc(CCNCC(C)(C)C#N)cc1 ZINC000258839986 1121756190 /nfs/dbraw/zinc/75/61/90/1121756190.db2.gz CGDXCNSPOHYCQW-UHFFFAOYSA-N 0 3 258.409 3.666 20 30 CHEDHN C#CC1CCN(Cc2ccc(C)c(Cl)c2C)CC1 ZINC001250203138 1122354247 /nfs/dbraw/zinc/35/42/47/1122354247.db2.gz BUKDDLZCGUUELX-UHFFFAOYSA-N 0 3 261.796 3.802 20 30 CHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc(C(C)(C)C)cs1 ZINC000865551991 1123994497 /nfs/dbraw/zinc/99/44/97/1123994497.db2.gz BHTHXTWYNGXUHR-SWLSCSKDSA-N 0 3 294.464 3.511 20 30 CHEDHN C=C(Cl)CN[C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000163364947 1125310510 /nfs/dbraw/zinc/31/05/10/1125310510.db2.gz TVJNAGXZNBUTPB-NSHDSACASA-N 0 3 289.753 3.951 20 30 CHEDHN CC(C)COCC[C@@H](C)N(CCC#N)C1CCCC1 ZINC001172472653 1132225831 /nfs/dbraw/zinc/22/58/31/1132225831.db2.gz ZPIUUKYQEIDIAR-OAHLLOKOSA-N 0 3 266.429 3.596 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC001232115307 1132423732 /nfs/dbraw/zinc/42/37/32/1132423732.db2.gz KDTPXDASWWLPLO-VXGBXAGGSA-N 0 3 262.784 3.832 20 30 CHEDHN CC[C@@H]1CCCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232115546 1132424480 /nfs/dbraw/zinc/42/44/80/1132424480.db2.gz UCTXKAFUMGHFDQ-CQSZACIVSA-N 0 3 262.784 3.976 20 30 CHEDHN C#CCN(Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)C ZINC001207716396 1133840636 /nfs/dbraw/zinc/84/06/36/1133840636.db2.gz YUNSSMMLTGIUEM-UHFFFAOYSA-N 0 3 298.352 3.615 20 30 CHEDHN Cc1nc2c(s1)[C@H](N(C)CCC(C)(C)C#N)CCC2 ZINC000119919331 1125539335 /nfs/dbraw/zinc/53/93/35/1125539335.db2.gz ZOERLHPGLFRHCG-CYBMUJFWSA-N 0 3 277.437 3.701 20 30 CHEDHN C=CCSCCNCc1ccccc1OC(F)(F)F ZINC000222059609 1125543009 /nfs/dbraw/zinc/54/30/09/1125543009.db2.gz IJUFNHBYQOZHOY-UHFFFAOYSA-N 0 3 291.338 3.594 20 30 CHEDHN C=CCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000533538214 1125613186 /nfs/dbraw/zinc/61/31/86/1125613186.db2.gz YMLDXEXMCHAOEH-CQSZACIVSA-N 0 3 256.349 3.931 20 30 CHEDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(C#N)cc1 ZINC000295771412 1125625414 /nfs/dbraw/zinc/62/54/14/1125625414.db2.gz AGXOLZNSWYLPTQ-MLGOLLRUSA-N 0 3 278.355 3.602 20 30 CHEDHN CC1(C)CN(C[C@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886072891 1125644593 /nfs/dbraw/zinc/64/45/93/1125644593.db2.gz OCWPTPDKIMQTAE-SJORKVTESA-N 0 3 298.430 3.514 20 30 CHEDHN CC1(C)CN(C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886072889 1125644695 /nfs/dbraw/zinc/64/46/95/1125644695.db2.gz OCWPTPDKIMQTAE-IAGOWNOFSA-N 0 3 298.430 3.514 20 30 CHEDHN C=CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000218981525 1125666795 /nfs/dbraw/zinc/66/67/95/1125666795.db2.gz YMUPACBEYFFYOD-UHFFFAOYSA-N 0 3 271.335 3.720 20 30 CHEDHN C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000218981525 1125666798 /nfs/dbraw/zinc/66/67/98/1125666798.db2.gz YMUPACBEYFFYOD-UHFFFAOYSA-N 0 3 271.335 3.720 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000248884372 1125676295 /nfs/dbraw/zinc/67/62/95/1125676295.db2.gz LPPVFFRTRUXSAG-MNEFBYGVSA-N 0 3 291.398 3.843 20 30 CHEDHN C=CCC1(O)CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000886759765 1125714623 /nfs/dbraw/zinc/71/46/23/1125714623.db2.gz OYVNXDROUXADFA-ZDUSSCGKSA-N 0 3 279.811 3.804 20 30 CHEDHN Cc1cccnc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000093168609 1125767718 /nfs/dbraw/zinc/76/77/18/1125767718.db2.gz FPVFRULFIRKQHR-UHFFFAOYSA-N 0 3 279.387 3.672 20 30 CHEDHN C#CCCCCNCc1ncc(-c2ccccc2)s1 ZINC000092411625 1129393437 /nfs/dbraw/zinc/39/34/37/1129393437.db2.gz UEHPJQSTSQRHAT-UHFFFAOYSA-N 0 3 270.401 3.703 20 30 CHEDHN C=C(C)CN(CCCCCC)Cc1ccc(CO)o1 ZINC000796382524 1129581209 /nfs/dbraw/zinc/58/12/09/1129581209.db2.gz AZKRVMZQOYQGOG-UHFFFAOYSA-N 0 3 265.397 3.730 20 30 CHEDHN CCOc1ccc(C)c(CN(C)Cc2cccc(C#N)c2)c1 ZINC001238710401 1131236151 /nfs/dbraw/zinc/23/61/51/1131236151.db2.gz COINOPWREILSEZ-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN CC(C)CN(CCC#N)C[C@@H]1C[C@H]1c1ccccc1 ZINC000768154471 1129836481 /nfs/dbraw/zinc/83/64/81/1129836481.db2.gz UESJXODYIBMESP-IRXDYDNUSA-N 0 3 256.393 3.662 20 30 CHEDHN C=CCN(Cc1cccc(OC)c1OC(C)C)C(C)C ZINC000768547809 1129863030 /nfs/dbraw/zinc/86/30/30/1129863030.db2.gz PWQSBJCNUYIASC-UHFFFAOYSA-N 0 3 277.408 3.879 20 30 CHEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1C#N ZINC000338352879 1126736729 /nfs/dbraw/zinc/73/67/29/1126736729.db2.gz JDMSYSWNRVNMSV-CQSZACIVSA-N 0 3 275.355 3.589 20 30 CHEDHN Fc1ccc([C@H]2CCN(CC#Cc3ccccc3)C2)cc1 ZINC000483096040 1126766683 /nfs/dbraw/zinc/76/66/83/1126766683.db2.gz BZPHWEBPJCWWHJ-SFHVURJKSA-N 0 3 279.358 3.667 20 30 CHEDHN C[C@H](Cc1ccccc1Cl)N1CCC[C@H](CC#N)C1 ZINC001170283389 1130479037 /nfs/dbraw/zinc/47/90/37/1130479037.db2.gz KSBIXRLFABJZCD-ZIAGYGMSSA-N 0 3 276.811 3.897 20 30 CHEDHN N#CC(C(=O)c1cccs1)c1ccc2ccccc2n1 ZINC000042654295 1126789263 /nfs/dbraw/zinc/78/92/63/1126789263.db2.gz RPWVTYSXARLFTQ-LBPRGKRZSA-N 0 3 278.336 3.786 20 30 CHEDHN C=CCCCNCc1ncc(Br)cc1Cl ZINC000631123751 1126793763 /nfs/dbraw/zinc/79/37/63/1126793763.db2.gz LJLLMANFSZZSSQ-UHFFFAOYSA-N 0 3 289.604 3.553 20 30 CHEDHN CC1/C(=C/c2ccc(C3CCCC3)cc2)C(=O)c2ncnn21 ZINC000905083451 1126889041 /nfs/dbraw/zinc/88/90/41/1126889041.db2.gz DJJQWKQSWUZYGT-KPENOIPVSA-N 0 3 293.370 3.777 20 30 CHEDHN Cc1cc(C)c(/C=C/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000905083155 1126889106 /nfs/dbraw/zinc/88/91/06/1126889106.db2.gz BWQIEHRBIRYEMZ-FNOIDGLDSA-N 0 3 293.370 3.600 20 30 CHEDHN C=CCC[C@@H](NCc1ncc(-c2ccccc2)cn1)C1CC1 ZINC000186059642 1126906187 /nfs/dbraw/zinc/90/61/87/1126906187.db2.gz QIJOJEFBXHOFSO-GOSISDBHSA-N 0 3 293.414 3.978 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000668493995 1126918038 /nfs/dbraw/zinc/91/80/38/1126918038.db2.gz TXXPYBXYNYHYHY-DZGCQCFKSA-N 0 3 292.448 3.783 20 30 CHEDHN CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1ccc(N)cc1 ZINC000777449489 1126928627 /nfs/dbraw/zinc/92/86/27/1126928627.db2.gz WGOLCNYOHAGAAJ-IBGZPJMESA-N 0 3 295.430 3.850 20 30 CHEDHN C[C@H](c1cccc(Cl)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191225269 1126949953 /nfs/dbraw/zinc/94/99/53/1126949953.db2.gz PFSLSXUPPPZVAU-GFCCVEGCSA-N 0 3 287.794 3.743 20 30 CHEDHN CN(Cc1cc(C#N)cs1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000906598178 1126961006 /nfs/dbraw/zinc/96/10/06/1126961006.db2.gz UEUZICHMQAAWPQ-HOTGVXAUSA-N 0 3 286.375 3.747 20 30 CHEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C#N)s1 ZINC000267202227 1126994708 /nfs/dbraw/zinc/99/47/08/1126994708.db2.gz OSVKCJNWFNNITA-KRWDZBQOSA-N 0 3 298.411 3.796 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H](CO)c1ccc(F)cc1F ZINC000668757117 1127023639 /nfs/dbraw/zinc/02/36/39/1127023639.db2.gz ZBYRDHKHUWZXST-BLLLJJGKSA-N 0 3 283.362 3.723 20 30 CHEDHN CN(Cc1cccs1)Cc1ccc(N(C)CCC#N)cc1 ZINC000271006593 1127065181 /nfs/dbraw/zinc/06/51/81/1127065181.db2.gz NTNYKCIGQRZTAS-UHFFFAOYSA-N 0 3 299.443 3.730 20 30 CHEDHN Cc1cc(CN[C@H](c2cccnc2)C2CC2)ccc1C#N ZINC000488292538 1127069599 /nfs/dbraw/zinc/06/95/99/1127069599.db2.gz JPQSZAPADXQBEK-SFHVURJKSA-N 0 3 277.371 3.503 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccccc3F)C2)s1 ZINC000271203619 1127073722 /nfs/dbraw/zinc/07/37/22/1127073722.db2.gz VGDGQDPMPQYFFQ-GFCCVEGCSA-N 0 3 286.375 3.748 20 30 CHEDHN C=C(CN[C@H](C)c1ccnn1C1CCC1)c1ccccc1 ZINC000924841728 1127084047 /nfs/dbraw/zinc/08/40/47/1127084047.db2.gz LXFHDKNSNCYIOH-OAHLLOKOSA-N 0 3 281.403 3.972 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000271619337 1127095374 /nfs/dbraw/zinc/09/53/74/1127095374.db2.gz CUXIYEQTSQTMFA-QGZVFWFLSA-N 0 3 280.371 3.808 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000349296370 1127146288 /nfs/dbraw/zinc/14/62/88/1127146288.db2.gz FMHMXJIUINVDAF-JMSVASOKSA-N 0 3 290.794 3.836 20 30 CHEDHN C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccon1 ZINC000349836650 1127164901 /nfs/dbraw/zinc/16/49/01/1127164901.db2.gz SUCCQFZBUORVQE-MXWWQKGMSA-N 0 3 295.386 3.729 20 30 CHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccsc1 ZINC000589344249 1127218416 /nfs/dbraw/zinc/21/84/16/1127218416.db2.gz VQDOHOFGSZQJOD-BZNIZROVSA-N 0 3 268.385 3.958 20 30 CHEDHN C=CCC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000285394086 1127225003 /nfs/dbraw/zinc/22/50/03/1127225003.db2.gz WWBJBOSQDSUJHQ-BBRMVZONSA-N 0 3 255.365 3.768 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000589514757 1127226282 /nfs/dbraw/zinc/22/62/82/1127226282.db2.gz KQRCMFPVYLYFIQ-WFASDCNBSA-N 0 3 294.320 3.951 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)c1ccccc1)c1ccco1 ZINC000285829847 1127244040 /nfs/dbraw/zinc/24/40/40/1127244040.db2.gz WVCJUKFERZYJMY-CVEARBPZSA-N 0 3 271.360 3.610 20 30 CHEDHN C=C(C)CN(CCCOC(C)C)Cc1cnn(C(C)C)c1 ZINC000352904966 1127249546 /nfs/dbraw/zinc/24/95/46/1127249546.db2.gz WNBIIVWIEKCNOG-UHFFFAOYSA-N 0 3 293.455 3.657 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc3c(c2)COC3)cc1 ZINC000352921214 1127251582 /nfs/dbraw/zinc/25/15/82/1127251582.db2.gz GIWVWWNABUBCQP-UHFFFAOYSA-N 0 3 295.382 3.571 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccco1 ZINC000286152247 1127261275 /nfs/dbraw/zinc/26/12/75/1127261275.db2.gz OXOWSPQCWNBROD-CABCVRRESA-N 0 3 291.391 3.562 20 30 CHEDHN CCCn1cc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353915237 1127278053 /nfs/dbraw/zinc/27/80/53/1127278053.db2.gz MKNZGVFRXHPKTD-SFHVURJKSA-N 0 3 296.418 3.818 20 30 CHEDHN N#CCCC[C@@H](NCc1ccncc1)c1ccccc1 ZINC000353918287 1127279013 /nfs/dbraw/zinc/27/90/13/1127279013.db2.gz XPKQEFJYWUTNEB-QGZVFWFLSA-N 0 3 265.360 3.606 20 30 CHEDHN N#CC1(CCN2CCC[C@H](OC(F)F)C2)CCCCC1 ZINC000591026211 1127284183 /nfs/dbraw/zinc/28/41/83/1127284183.db2.gz PBZNUYYEYAVBQY-ZDUSSCGKSA-N 0 3 286.366 3.554 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000166518633 1127284322 /nfs/dbraw/zinc/28/43/22/1127284322.db2.gz NXWFEQIRCLROFE-KRWDZBQOSA-N 0 3 268.335 3.938 20 30 CHEDHN C#CCCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000760816734 1127293310 /nfs/dbraw/zinc/29/33/10/1127293310.db2.gz IPPMKLIUHGBKOY-LBPRGKRZSA-N 0 3 265.759 3.509 20 30 CHEDHN C=CCOc1ccc(CN[C@H](C)c2cncc(C)c2)cc1 ZINC000287468231 1127306949 /nfs/dbraw/zinc/30/69/49/1127306949.db2.gz MHFXWPCVROKSOO-OAHLLOKOSA-N 0 3 282.387 3.806 20 30 CHEDHN Cc1cc(C)cc(OCCN(C)Cc2ccc(C#N)cc2)c1 ZINC000058291442 1127326412 /nfs/dbraw/zinc/32/64/12/1127326412.db2.gz OQWCXEBRXIRZOU-UHFFFAOYSA-N 0 3 294.398 3.686 20 30 CHEDHN Cc1ccc(CN(CCC(C)(C)C#N)CC2CC2)cn1 ZINC000592146417 1127336870 /nfs/dbraw/zinc/33/68/70/1127336870.db2.gz PGFOVKPGWLBXAO-UHFFFAOYSA-N 0 3 271.408 3.542 20 30 CHEDHN C#Cc1ccc(CN(C)[C@@H](CC)c2ccncc2)cc1 ZINC000290296596 1127389030 /nfs/dbraw/zinc/38/90/30/1127389030.db2.gz AWZGXWBEGWCMMG-SFHVURJKSA-N 0 3 264.372 3.646 20 30 CHEDHN N#CC1(CN[C@@H]2CCCc3ccccc3C2)CCCC1 ZINC000593654945 1127392861 /nfs/dbraw/zinc/39/28/61/1127392861.db2.gz RPSJEAXKIBCZQA-QGZVFWFLSA-N 0 3 268.404 3.608 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000593721632 1127395886 /nfs/dbraw/zinc/39/58/86/1127395886.db2.gz RQEDAACYMXGHJC-BXUZGUMPSA-N 0 3 294.320 3.976 20 30 CHEDHN C[C@@]1(Cc2ccccc2F)CCCN1Cc1ccc(C#N)o1 ZINC000592525363 1127396609 /nfs/dbraw/zinc/39/66/09/1127396609.db2.gz KQRMJPDUZAVDED-SFHVURJKSA-N 0 3 298.361 3.888 20 30 CHEDHN N#CCC1CCN(CCCc2c(F)cccc2F)CC1 ZINC000593972223 1127404825 /nfs/dbraw/zinc/40/48/25/1127404825.db2.gz NAPXIISSKHWNKL-UHFFFAOYSA-N 0 3 278.346 3.523 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000138893862 1127410970 /nfs/dbraw/zinc/41/09/70/1127410970.db2.gz OZJBLIBYWRTTMY-GOSISDBHSA-N 0 3 278.355 3.601 20 30 CHEDHN C=CCC[C@@H](CCC)NCc1nnc(C(C)C)s1 ZINC000358268717 1127412369 /nfs/dbraw/zinc/41/23/69/1127412369.db2.gz SMLYTYJOGREEQZ-GFCCVEGCSA-N 0 3 267.442 3.886 20 30 CHEDHN CCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000761063900 1127415818 /nfs/dbraw/zinc/41/58/18/1127415818.db2.gz CISJHPUODUATQK-NSHDSACASA-N 0 3 268.316 3.584 20 30 CHEDHN CC(C)(C#N)c1ccc(CNCc2ccc(F)cc2)cc1 ZINC000594493801 1127418471 /nfs/dbraw/zinc/41/84/71/1127418471.db2.gz SAOPTJGGIYDNML-UHFFFAOYSA-N 0 3 282.362 3.917 20 30 CHEDHN Cc1nc(C)c(CNCc2ccc(C(C)(C)C#N)cc2)s1 ZINC000594514044 1127420185 /nfs/dbraw/zinc/42/01/85/1127420185.db2.gz ORQMYXXNSQHBMI-UHFFFAOYSA-N 0 3 299.443 3.851 20 30 CHEDHN CC(C)(C#N)c1ccc(CNCCC(F)(F)F)cc1 ZINC000594512254 1127420383 /nfs/dbraw/zinc/42/03/83/1127420383.db2.gz ICERNLQDWSJUDI-UHFFFAOYSA-N 0 3 270.298 3.530 20 30 CHEDHN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)cs1 ZINC000594970061 1127437367 /nfs/dbraw/zinc/43/73/67/1127437367.db2.gz SDZKOZSBYJSLJN-UHFFFAOYSA-N 0 3 270.401 3.953 20 30 CHEDHN CCOc1cccc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594967182 1127441376 /nfs/dbraw/zinc/44/13/76/1127441376.db2.gz OQQHCNHISYVHQA-UHFFFAOYSA-N 0 3 294.398 3.982 20 30 CHEDHN N#CC1(CNC[C@H]2CCOc3ccccc32)CCCCC1 ZINC000594981247 1127443260 /nfs/dbraw/zinc/44/32/60/1127443260.db2.gz LYBWGPOVDIKVED-OAHLLOKOSA-N 0 3 284.403 3.616 20 30 CHEDHN CC[C@H](COCC1CC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000595056848 1127446832 /nfs/dbraw/zinc/44/68/32/1127446832.db2.gz RKLJZFMSDOBQHY-IUODEOHRSA-N 0 3 290.382 3.553 20 30 CHEDHN C=CCCSCCN[C@@H](CC)c1ccc(F)cn1 ZINC000595058277 1127447126 /nfs/dbraw/zinc/44/71/26/1127447126.db2.gz GEVNHLYVKPRVBN-ZDUSSCGKSA-N 0 3 268.401 3.571 20 30 CHEDHN N#CCCN(CC[C@@H]1CCc2ccccc21)CC1CC1 ZINC000595334679 1127459131 /nfs/dbraw/zinc/45/91/31/1127459131.db2.gz SZIDSEXSWMGGCD-KRWDZBQOSA-N 0 3 268.404 3.732 20 30 CHEDHN CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](CC#N)C1 ZINC000595616733 1127467929 /nfs/dbraw/zinc/46/79/29/1127467929.db2.gz WQBPIWGVBWVYED-CJNGLKHVSA-N 0 3 260.356 3.902 20 30 CHEDHN N#Cc1cccc(CN2CCC(c3ccco3)CC2)c1 ZINC000595613650 1127469884 /nfs/dbraw/zinc/46/98/84/1127469884.db2.gz CUJIVNNVMPENQB-UHFFFAOYSA-N 0 3 266.344 3.531 20 30 CHEDHN CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 ZINC000597120767 1127528796 /nfs/dbraw/zinc/52/87/96/1127528796.db2.gz JVJIPWBYVPKLNO-CQSZACIVSA-N 0 3 296.336 3.920 20 30 CHEDHN C[C@@H](c1ccncc1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597080483 1127527314 /nfs/dbraw/zinc/52/73/14/1127527314.db2.gz NVQRFJHROXOKTR-HNNXBMFYSA-N 0 3 291.398 3.830 20 30 CHEDHN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)cc(C)c1O ZINC000597185528 1127533146 /nfs/dbraw/zinc/53/31/46/1127533146.db2.gz XHJWIPXVUSYDNC-UHFFFAOYSA-N 0 3 294.398 3.906 20 30 CHEDHN N#CC1(CNCCCc2ccc3c(c2)CCO3)CCCCC1 ZINC000597224345 1127536682 /nfs/dbraw/zinc/53/66/82/1127536682.db2.gz GPSSDNFTVBFNGD-UHFFFAOYSA-N 0 3 298.430 3.618 20 30 CHEDHN C[C@@H](CNCC1(C#N)CCCCC1)c1ccccc1 ZINC000597227008 1127534874 /nfs/dbraw/zinc/53/48/74/1127534874.db2.gz ZKHFNBYDAUPSBF-HNNXBMFYSA-N 0 3 256.393 3.854 20 30 CHEDHN N#Cc1c(CN(C2CC2)C2CCCC2)cn2ccccc12 ZINC000060562840 1127544465 /nfs/dbraw/zinc/54/44/65/1127544465.db2.gz QJHLVMLFSIHSDZ-UHFFFAOYSA-N 0 3 279.387 3.718 20 30 CHEDHN CC(C)OC1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602011242 1127555661 /nfs/dbraw/zinc/55/56/61/1127555661.db2.gz IXYYCQKYFRVVKO-UHFFFAOYSA-N 0 3 290.382 3.523 20 30 CHEDHN CC(C)[C@H](CNCc1cccc(F)c1C#N)c1cccnc1 ZINC000602012225 1127555731 /nfs/dbraw/zinc/55/57/31/1127555731.db2.gz KWMLMHPGDUXYFU-KRWDZBQOSA-N 0 3 297.377 3.622 20 30 CHEDHN CN(Cc1cccc(C#N)c1F)[C@@H]1CCC(C)(C)C1 ZINC000361470442 1127565419 /nfs/dbraw/zinc/56/54/19/1127565419.db2.gz SNWJOEDSVLOIMG-CQSZACIVSA-N 0 3 260.356 3.708 20 30 CHEDHN N#Cc1c(CN(CC2CC2)C2CCC2)cn2ccccc12 ZINC000361581630 1127573812 /nfs/dbraw/zinc/57/38/12/1127573812.db2.gz HGIWHAJYNXCNGC-UHFFFAOYSA-N 0 3 279.387 3.575 20 30 CHEDHN CC[C@H](C)N(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602430524 1127577887 /nfs/dbraw/zinc/57/78/87/1127577887.db2.gz AVRWVOCVSWMVBL-HNNXBMFYSA-N 0 3 279.387 3.754 20 30 CHEDHN C=CCN(Cc1ccccc1F)C[C@H](C)CCC#N ZINC000602447240 1127580580 /nfs/dbraw/zinc/58/05/80/1127580580.db2.gz CEXJWCWZJPJJOS-CQSZACIVSA-N 0 3 260.356 3.754 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H]1CCCc2ccccc21 ZINC000060815471 1127592053 /nfs/dbraw/zinc/59/20/53/1127592053.db2.gz UTMMCSDGEXIWCK-LJQANCHMSA-N 0 3 291.394 3.866 20 30 CHEDHN CC[C@]1(C)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000361839862 1127593309 /nfs/dbraw/zinc/59/33/09/1127593309.db2.gz MSLKPKXGCDCHSL-MRXNPFEDSA-N 0 3 260.356 3.709 20 30 CHEDHN CC[C@@H](CSc1ccccc1)NCc1cccc(C#N)n1 ZINC000602569578 1127593476 /nfs/dbraw/zinc/59/34/76/1127593476.db2.gz BBIMDEWVIDCMAL-AWEZNQCLSA-N 0 3 297.427 3.614 20 30 CHEDHN C[C@H](CCC#N)CN[C@H](c1ccco1)c1ccccc1 ZINC000602593746 1127594804 /nfs/dbraw/zinc/59/48/04/1127594804.db2.gz OEEZSKCDCQFERJ-PBHICJAKSA-N 0 3 268.360 3.898 20 30 CHEDHN N#CC1(CNC[C@@H]2CCN(c3ccccc3)C2)CCCCC1 ZINC000602718039 1127608672 /nfs/dbraw/zinc/60/86/72/1127608672.db2.gz NWSNZKAIVQOURX-KRWDZBQOSA-N 0 3 297.446 3.577 20 30 CHEDHN COc1ccc2c(c1)C[C@@H](C)N(CC1(CC#N)CC1)[C@@H]2C ZINC000602807268 1127615407 /nfs/dbraw/zinc/61/54/07/1127615407.db2.gz WLZVHVDHSAHGEW-ZIAGYGMSSA-N 0 3 284.403 3.697 20 30 CHEDHN CC1CCC(OC2CCN(CC3(CC#N)CC3)CC2)CC1 ZINC000602776465 1127612939 /nfs/dbraw/zinc/61/29/39/1127612939.db2.gz RMAPZPLIPRASPH-UHFFFAOYSA-N 0 3 290.451 3.740 20 30 CHEDHN C[C@@H]1CCN(CC2(CC#N)CC2)[C@H](c2ccco2)C1 ZINC000602783630 1127613408 /nfs/dbraw/zinc/61/34/08/1127613408.db2.gz PRLJXJJNIJNCMG-KGLIPLIRSA-N 0 3 258.365 3.746 20 30 CHEDHN CC(C)Oc1cccc(CN(C)CC2(CC#N)CC2)c1 ZINC000602796684 1127614795 /nfs/dbraw/zinc/61/47/95/1127614795.db2.gz RNDJQENUQGVVJM-UHFFFAOYSA-N 0 3 272.392 3.599 20 30 CHEDHN C[C@@H](CC#N)NCCCCc1cccc(Cl)c1 ZINC000602871261 1127618531 /nfs/dbraw/zinc/61/85/31/1127618531.db2.gz PIXSTZCGMIAQGN-LBPRGKRZSA-N 0 3 250.773 3.554 20 30 CHEDHN CC(C)(C#N)CCCN[C@@H](CF)c1ccc(F)cc1 ZINC000603016363 1127625779 /nfs/dbraw/zinc/62/57/79/1127625779.db2.gz GVLMSFSIUXQDDG-AWEZNQCLSA-N 0 3 266.335 3.756 20 30 CHEDHN N#Cc1ccc(CNCC2(c3ccccc3F)CCC2)o1 ZINC000593642382 1127643636 /nfs/dbraw/zinc/64/36/36/1127643636.db2.gz HYDJRARVUULQSV-UHFFFAOYSA-N 0 3 284.334 3.502 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2csc(C(F)(F)F)c2)C1 ZINC000598976021 1127649244 /nfs/dbraw/zinc/64/92/44/1127649244.db2.gz MDIMRSNJJOLKSH-PSASIEDQSA-N 0 3 274.311 3.549 20 30 CHEDHN CC(C)(C#N)CCN1CCS[C@@H](c2ccccc2)C1 ZINC000363480878 1127673385 /nfs/dbraw/zinc/67/33/85/1127673385.db2.gz OXHYJNMCHCUSPP-OAHLLOKOSA-N 0 3 274.433 3.716 20 30 CHEDHN C#CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000297031662 1127687376 /nfs/dbraw/zinc/68/73/76/1127687376.db2.gz UUYNECAZRLWJOG-DLBZAZTESA-N 0 3 277.367 3.734 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000061799796 1127718175 /nfs/dbraw/zinc/71/81/75/1127718175.db2.gz LZEMGHJYRQPFKU-UHFFFAOYSA-N 0 3 268.335 3.719 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000062258124 1127743852 /nfs/dbraw/zinc/74/38/52/1127743852.db2.gz MZNQVWZKKYJAHA-KRWDZBQOSA-N 0 3 282.774 3.989 20 30 CHEDHN C=CCCc1ccccc1NC(=O)[C@@H](CC)N(CC)CC ZINC000410351040 1127806312 /nfs/dbraw/zinc/80/63/12/1127806312.db2.gz CQMHUSHKFVOKAK-QGZVFWFLSA-N 0 3 288.435 3.864 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccccc1O ZINC000374267139 1127882613 /nfs/dbraw/zinc/88/26/13/1127882613.db2.gz DGKNPZFFPBRVSL-MSOLQXFVSA-N 0 3 292.382 3.664 20 30 CHEDHN CC[C@H]1CN(CC2(C#N)CC2)CC[C@H]1c1ccccc1 ZINC000539451288 1127923681 /nfs/dbraw/zinc/92/36/81/1127923681.db2.gz LCMPSEXLYOTWPP-DOTOQJQBSA-N 0 3 268.404 3.806 20 30 CHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000539510245 1127927545 /nfs/dbraw/zinc/92/75/45/1127927545.db2.gz SIHNJWSNJUHKNT-CABCVRRESA-N 0 3 298.434 3.971 20 30 CHEDHN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000595087830 1127951402 /nfs/dbraw/zinc/95/14/02/1127951402.db2.gz FGFBMUPXDRNXOA-KPZWWZAWSA-N 0 3 278.355 3.602 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000540702308 1127991239 /nfs/dbraw/zinc/99/12/39/1127991239.db2.gz RLKCJLBYCASCSJ-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN C#CCCCCNCc1cc(Cl)sc1Cl ZINC000312605197 1128070712 /nfs/dbraw/zinc/07/07/12/1128070712.db2.gz PVSAXMUJPNNLOM-UHFFFAOYSA-N 0 3 262.205 3.948 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470944731 1128082651 /nfs/dbraw/zinc/08/26/51/1128082651.db2.gz JSUFXJDTHSMYPR-GYSYKLTISA-N 0 3 282.309 3.892 20 30 CHEDHN CCOc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271939583 1128082994 /nfs/dbraw/zinc/08/29/94/1128082994.db2.gz OJYZLUIHBBOHJA-ZDUSSCGKSA-N 0 3 298.361 3.947 20 30 CHEDHN C[C@H]1CN(CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000471022403 1128085221 /nfs/dbraw/zinc/08/52/21/1128085221.db2.gz MZFSNLTUDDWHRN-KXBFYZLASA-N 0 3 292.382 3.630 20 30 CHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)CC(C)(C)C#N)c1 ZINC000924597945 1128106343 /nfs/dbraw/zinc/10/63/43/1128106343.db2.gz CKVZDAFNSCDTCG-CHWSQXEVSA-N 0 3 287.407 3.624 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCCOc2cc(F)ccc21 ZINC000925972355 1128148369 /nfs/dbraw/zinc/14/83/69/1128148369.db2.gz FNWOUCSBJMNZFX-WFASDCNBSA-N 0 3 290.382 3.957 20 30 CHEDHN C=CCOCCCN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000926705726 1128189185 /nfs/dbraw/zinc/18/91/85/1128189185.db2.gz VSIAACFPFHLKNA-IBGZPJMESA-N 0 3 296.414 3.662 20 30 CHEDHN C[C@H](NCc1ccc(CF)cc1)c1cccc(C#N)c1 ZINC000777722815 1128254669 /nfs/dbraw/zinc/25/46/69/1128254669.db2.gz VJERGRPIYHEWNO-ZDUSSCGKSA-N 0 3 268.335 3.879 20 30 CHEDHN Cc1ccc(CN[C@H]2CCCNc3ccccc32)cc1C#N ZINC000926967200 1128206455 /nfs/dbraw/zinc/20/64/55/1128206455.db2.gz QHJYHJONVMUPFL-IBGZPJMESA-N 0 3 291.398 3.903 20 30 CHEDHN Cc1ncc(CN(C)CCCCC2(C#N)CCC2)s1 ZINC000929286831 1128267884 /nfs/dbraw/zinc/26/78/84/1128267884.db2.gz VSRJPAGEFJUJME-UHFFFAOYSA-N 0 3 277.437 3.748 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000929618397 1128279640 /nfs/dbraw/zinc/27/96/40/1128279640.db2.gz HUQRYGIYVBEAMG-CQSZACIVSA-N 0 3 286.762 3.794 20 30 CHEDHN Cc1ccccc1[C@H]1CN(CC2CCC(C#N)CC2)CCO1 ZINC000929707907 1128283408 /nfs/dbraw/zinc/28/34/08/1128283408.db2.gz NGVOBVXUAULYCE-FAFZWHIHSA-N 0 3 298.430 3.698 20 30 CHEDHN N#Cc1cncc(CN[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000929965098 1128295294 /nfs/dbraw/zinc/29/52/94/1128295294.db2.gz NPMAVAHQFGLZEC-SFHVURJKSA-N 0 3 295.361 3.723 20 30 CHEDHN C#CC[C@H](NCc1cccc(OC)c1C)c1ccccc1 ZINC000930219858 1128308300 /nfs/dbraw/zinc/30/83/00/1128308300.db2.gz MMVGIHHESFXKJW-SFHVURJKSA-N 0 3 279.383 3.858 20 30 CHEDHN C[C@@H](NCCCCC1(C#N)CCC1)c1c(F)cncc1F ZINC000930475012 1128320175 /nfs/dbraw/zinc/32/01/75/1128320175.db2.gz YNCXOWSPXJVGPN-GFCCVEGCSA-N 0 3 293.361 3.875 20 30 CHEDHN CN(CCCOc1ccc(C#N)cc1)Cc1ccsc1 ZINC000035719215 1128330629 /nfs/dbraw/zinc/33/06/29/1128330629.db2.gz ZFHGBSVCQVOTAA-UHFFFAOYSA-N 0 3 286.400 3.521 20 30 CHEDHN CCSc1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000930925366 1128340081 /nfs/dbraw/zinc/34/00/81/1128340081.db2.gz YMEBKGIKHRDRKE-CQSZACIVSA-N 0 3 274.433 3.924 20 30 CHEDHN N#CC1(CCN2CCC(c3ncco3)CC2)CCCCC1 ZINC000931445740 1128362018 /nfs/dbraw/zinc/36/20/18/1128362018.db2.gz MRSNICIBRDJTGK-UHFFFAOYSA-N 0 3 287.407 3.718 20 30 CHEDHN C[C@H]1CCN(Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000931746692 1128380449 /nfs/dbraw/zinc/38/04/49/1128380449.db2.gz KOVUIJDXUXDZBY-KBXCAEBGSA-N 0 3 277.371 3.536 20 30 CHEDHN CC(C)(C#N)CCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932215351 1128400490 /nfs/dbraw/zinc/40/04/90/1128400490.db2.gz XRNZDYUMSSEATM-OAHLLOKOSA-N 0 3 284.403 3.962 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1C ZINC000933484034 1128435236 /nfs/dbraw/zinc/43/52/36/1128435236.db2.gz VHMPGHXLIBBHKJ-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cncs1 ZINC000934193785 1128454079 /nfs/dbraw/zinc/45/40/79/1128454079.db2.gz NBSZTZVSDFGVFD-LBPRGKRZSA-N 0 3 263.410 3.658 20 30 CHEDHN CCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000916955482 1128464588 /nfs/dbraw/zinc/46/45/88/1128464588.db2.gz RBYVRSNQZANZNU-IUODEOHRSA-N 0 3 286.375 3.648 20 30 CHEDHN C=CCCCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000566804231 1128552284 /nfs/dbraw/zinc/55/22/84/1128552284.db2.gz AHJSYSWSIPURCG-UHFFFAOYSA-N 0 3 289.423 3.616 20 30 CHEDHN CC(C)N(CCC#N)[C@@H](C)CCc1cccc(F)c1 ZINC000566936783 1128554460 /nfs/dbraw/zinc/55/44/60/1128554460.db2.gz YSLAPHGPPQDTQG-AWEZNQCLSA-N 0 3 262.372 3.771 20 30 CHEDHN C=CCC(C)(C)CN[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000556218644 1128565586 /nfs/dbraw/zinc/56/55/86/1128565586.db2.gz XSVZVGDXCBSUQL-CQSZACIVSA-N 0 3 298.434 3.829 20 30 CHEDHN C=CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000042364497 1128575191 /nfs/dbraw/zinc/57/51/91/1128575191.db2.gz CFUXPGQLDXQEQQ-UHFFFAOYSA-N 0 3 292.382 3.755 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000131213394 1128610643 /nfs/dbraw/zinc/61/06/43/1128610643.db2.gz HJQSPPMHOPDJSJ-OAHLLOKOSA-N 0 3 260.356 3.902 20 30 CHEDHN C=CCCCN(C)Cc1ccc(Oc2ccccc2)nn1 ZINC000499053667 1128635693 /nfs/dbraw/zinc/63/56/93/1128635693.db2.gz GOSHZZSYDRWISG-UHFFFAOYSA-N 0 3 283.375 3.667 20 30 CHEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000778996918 1128675428 /nfs/dbraw/zinc/67/54/28/1128675428.db2.gz WGOOXSGDODCYKE-UHFFFAOYSA-N 0 3 294.398 3.922 20 30 CHEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000778996918 1128675430 /nfs/dbraw/zinc/67/54/30/1128675430.db2.gz WGOOXSGDODCYKE-UHFFFAOYSA-N 0 3 294.398 3.922 20 30 CHEDHN C=CC1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000600683071 1128677562 /nfs/dbraw/zinc/67/75/62/1128677562.db2.gz HYEBFYDARIYDQK-NSHDSACASA-N 0 3 251.320 3.924 20 30 CHEDHN CCC[C@@H](NCC(C)(C)CC#N)c1cc(C)ccn1 ZINC000601281561 1128708159 /nfs/dbraw/zinc/70/81/59/1128708159.db2.gz PUTINIAWCLBAKV-CQSZACIVSA-N 0 3 259.397 3.761 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC=C(c2ccccn2)C1 ZINC000578481443 1128719341 /nfs/dbraw/zinc/71/93/41/1128719341.db2.gz SBTILRYGZBPUHL-HNNXBMFYSA-N 0 3 289.382 3.804 20 30 CHEDHN C=CCC[C@H](NCc1cnc(C)n1C)c1ccccc1 ZINC000578885006 1128732002 /nfs/dbraw/zinc/73/20/02/1128732002.db2.gz ZFRBKFFKPMDICD-KRWDZBQOSA-N 0 3 269.392 3.526 20 30 CHEDHN CC(C)[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)cn1 ZINC000578903412 1128732872 /nfs/dbraw/zinc/73/28/72/1128732872.db2.gz GICPOHJISRVZAJ-SFHVURJKSA-N 0 3 279.387 3.782 20 30 CHEDHN C=CCCC[C@@H](C)NCc1ncc(CSC)s1 ZINC000339340129 1117757484 /nfs/dbraw/zinc/75/74/84/1117757484.db2.gz NBNWMNMVKNVCIU-LLVKDONJSA-N 0 3 270.467 3.841 20 30 CHEDHN CCC(CC)(CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001344982954 1117805194 /nfs/dbraw/zinc/80/51/94/1117805194.db2.gz GOTHROBEVVLHEU-NSHDSACASA-N 0 3 280.318 3.752 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000119361830 1117891374 /nfs/dbraw/zinc/89/13/74/1117891374.db2.gz BLAQXRWBAQEIIE-IUCAKERBSA-N 0 3 259.271 3.652 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NC1(c3ccccc3)CC1)CC2 ZINC000336396246 1117895630 /nfs/dbraw/zinc/89/56/30/1117895630.db2.gz CVNXYMGVACVDEU-SFHVURJKSA-N 0 3 274.367 3.824 20 30 CHEDHN N#CCCCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126085763 1117996613 /nfs/dbraw/zinc/99/66/13/1117996613.db2.gz BXMNPJFWBDXJRS-LBPRGKRZSA-N 0 3 299.201 3.750 20 30 CHEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000181355405 1117998596 /nfs/dbraw/zinc/99/85/96/1117998596.db2.gz OXGFESQAEMTZEP-AWEZNQCLSA-N 0 3 253.320 3.528 20 30 CHEDHN C=CCCN(CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000533529197 1118015345 /nfs/dbraw/zinc/01/53/45/1118015345.db2.gz WMAWAWVIICEYAN-UHFFFAOYSA-N 0 3 280.799 3.567 20 30 CHEDHN C=CCCCCCN1CCN(c2nccc3occc32)CC1 ZINC001209429265 1118050956 /nfs/dbraw/zinc/05/09/56/1118050956.db2.gz XPAGNHUWBYBXIJ-UHFFFAOYSA-N 0 3 299.418 3.696 20 30 CHEDHN C=CCCCCCCCN1CCCC[C@@H]1C(C)=O ZINC001209441838 1118060641 /nfs/dbraw/zinc/06/06/41/1118060641.db2.gz KUHBHNMIRGQVJT-MRXNPFEDSA-N 0 3 251.414 3.957 20 30 CHEDHN C=CCCCCCCCN1CCCC[C@@]12CC(=O)N(C)C2 ZINC001209442085 1118062392 /nfs/dbraw/zinc/06/23/92/1118062392.db2.gz STDSXXUUWVETLN-SFHVURJKSA-N 0 3 292.467 3.600 20 30 CHEDHN C=CCC[C@H](C)NCc1nccn1CCCc1ccccc1 ZINC000185662269 1118064283 /nfs/dbraw/zinc/06/42/83/1118064283.db2.gz AQQZWAYQMYBRNC-KRWDZBQOSA-N 0 3 297.446 3.960 20 30 CHEDHN CC(C)(C)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000057906407 1118065906 /nfs/dbraw/zinc/06/59/06/1118065906.db2.gz LJGACUNAKGNOLL-UHFFFAOYSA-N 0 3 256.393 3.720 20 30 CHEDHN C#CCN[C@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000764600451 1118102491 /nfs/dbraw/zinc/10/24/91/1118102491.db2.gz YXIPMXYRTWOUOX-CYBMUJFWSA-N 0 3 255.283 3.769 20 30 CHEDHN C=CCCNC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000338569123 1118221135 /nfs/dbraw/zinc/22/11/35/1118221135.db2.gz SVBMYZBMCXQSHX-UHFFFAOYSA-N 0 3 264.316 3.563 20 30 CHEDHN C=CCN(CCc1cccc(C)n1)Cc1cccs1 ZINC000584050907 1118257167 /nfs/dbraw/zinc/25/71/67/1118257167.db2.gz UZEIAIUSSZWYKU-UHFFFAOYSA-N 0 3 272.417 3.682 20 30 CHEDHN CCCCCCCCCCN(C)Cc1cnc(N)cn1 ZINC001236424977 1128766092 /nfs/dbraw/zinc/76/60/92/1128766092.db2.gz ZHXGLTCZSFJACA-UHFFFAOYSA-N 0 3 278.444 3.631 20 30 CHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1 ZINC000131471159 1118290686 /nfs/dbraw/zinc/29/06/86/1118290686.db2.gz FUDJGNHABZCZRF-WBMJQRKESA-N 0 3 298.386 3.648 20 30 CHEDHN C=CCCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001168604732 1118388224 /nfs/dbraw/zinc/38/82/24/1118388224.db2.gz RWKZDMJZOWSIHN-CABCVRRESA-N 0 3 296.455 3.672 20 30 CHEDHN C=CCCCCN[C@@H](c1ccccc1)c1cncnc1 ZINC000349311382 1118417719 /nfs/dbraw/zinc/41/77/19/1118417719.db2.gz ITWCAUUDKDAQGJ-KRWDZBQOSA-N 0 3 267.376 3.512 20 30 CHEDHN CC(C)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000071029243 1118422273 /nfs/dbraw/zinc/42/22/73/1118422273.db2.gz JQGHTPTZMXNTGV-OAHLLOKOSA-N 0 3 274.383 3.955 20 30 CHEDHN CCN(Cc1ccc(Cl)cc1)CC1(CC#N)CC1 ZINC001657106671 1118450071 /nfs/dbraw/zinc/45/00/71/1118450071.db2.gz ABVZRPBJIKBYIV-UHFFFAOYSA-N 0 3 262.784 3.856 20 30 CHEDHN C=CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000779188125 1128783249 /nfs/dbraw/zinc/78/32/49/1128783249.db2.gz FWXGGKUIRCGYQV-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C=CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000779188125 1128783250 /nfs/dbraw/zinc/78/32/50/1128783250.db2.gz FWXGGKUIRCGYQV-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)cc(C)c1F ZINC001143385702 1118526319 /nfs/dbraw/zinc/52/63/19/1118526319.db2.gz YUTNBKQGYXLPGC-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(C#N)cc1 ZINC000335871757 1118653375 /nfs/dbraw/zinc/65/33/75/1118653375.db2.gz PNEANISOLLLRIT-DJJJIMSYSA-N 0 3 287.366 3.768 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(O)cc1 ZINC000684411223 1118685867 /nfs/dbraw/zinc/68/58/67/1118685867.db2.gz HEJDABDDPPDSRQ-UHFFFAOYSA-N 0 3 267.372 3.971 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000090883943 1118778457 /nfs/dbraw/zinc/77/84/57/1118778457.db2.gz JJNKLZAHDULUCZ-LBPRGKRZSA-N 0 3 296.480 3.992 20 30 CHEDHN CN(CCCCOC(C)(C)C)Cc1cc(C#N)cs1 ZINC000933772820 1118793680 /nfs/dbraw/zinc/79/36/80/1118793680.db2.gz VSMIKOVLTVGHRZ-UHFFFAOYSA-N 0 3 280.437 3.647 20 30 CHEDHN CC(C)(NCCCCC#N)c1nc(C(F)(F)F)cs1 ZINC000348517932 1118793964 /nfs/dbraw/zinc/79/39/64/1118793964.db2.gz ZNMMVJCAGVWMNS-UHFFFAOYSA-N 0 3 291.342 3.680 20 30 CHEDHN C=CCCN(C)Cc1csc(Br)c1 ZINC000132611624 1118852670 /nfs/dbraw/zinc/85/26/70/1118852670.db2.gz NAXRNOWHTZIPEM-UHFFFAOYSA-N 0 3 260.200 3.519 20 30 CHEDHN C[C@H]1C[C@H](CCN2CCC(F)(C#N)CC2)C[C@@H](C)C1 ZINC000510950187 1118871610 /nfs/dbraw/zinc/87/16/10/1118871610.db2.gz UALDDQCRDKKVMB-FICVDOATSA-N 0 3 266.404 3.776 20 30 CHEDHN COc1ccc2c(c1)[C@H](N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000610829984 1118897614 /nfs/dbraw/zinc/89/76/14/1118897614.db2.gz VRSTZQYOGIBKMG-BFUOFWGJSA-N 0 3 292.382 3.905 20 30 CHEDHN N#Cc1ccc(CNC2CC(c3cccc(F)c3)C2)c(F)c1 ZINC000610946892 1118910982 /nfs/dbraw/zinc/91/09/82/1118910982.db2.gz WMPHKSKPAHSQMN-UHFFFAOYSA-N 0 3 298.336 3.872 20 30 CHEDHN C=CCCCCCN(C)CC(=O)N[C@@H](C)c1cccs1 ZINC000150894252 1118916664 /nfs/dbraw/zinc/91/66/64/1118916664.db2.gz ZFZMDAQROJUUKM-AWEZNQCLSA-N 0 3 294.464 3.604 20 30 CHEDHN CC(C)[C@H](c1ccccc1)N(C)Cc1ccnc(C#N)c1 ZINC000610992947 1118917305 /nfs/dbraw/zinc/91/73/05/1118917305.db2.gz VRBSBXFHDOGXII-GOSISDBHSA-N 0 3 279.387 3.782 20 30 CHEDHN CC(C)(NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000610993087 1118919015 /nfs/dbraw/zinc/91/90/15/1118919015.db2.gz BYVIJVSKBVAUBN-UHFFFAOYSA-N 0 3 285.778 3.632 20 30 CHEDHN CC(C)(C)N(Cc1ccc(F)cc1)Cc1ccnc(C#N)c1 ZINC000610994573 1118919566 /nfs/dbraw/zinc/91/95/66/1118919566.db2.gz VEBYGAVVXYXLSJ-UHFFFAOYSA-N 0 3 297.377 3.893 20 30 CHEDHN CCC[C@]1(C)CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC001167509791 1118971923 /nfs/dbraw/zinc/97/19/23/1118971923.db2.gz QBHIRZHOOPGQTK-GOSISDBHSA-N 0 3 286.419 3.969 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N1CC#Cc1ccc(Cl)cc1 ZINC001167533370 1118989534 /nfs/dbraw/zinc/98/95/34/1118989534.db2.gz AWIMUASOFAOTBU-OKILXGFUSA-N 0 3 261.796 3.954 20 30 CHEDHN N#CCC[C@@H](C#N)CNCC1(Cc2ccccc2)CCCC1 ZINC000582199563 1119033280 /nfs/dbraw/zinc/03/32/80/1119033280.db2.gz GXNVEKMMDFBHLX-SFHVURJKSA-N 0 3 295.430 3.823 20 30 CHEDHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000611588557 1119055192 /nfs/dbraw/zinc/05/51/92/1119055192.db2.gz GJJYPWVGYRIKID-GXSJLCMTSA-N 0 3 268.282 3.536 20 30 CHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cccnc2)cc1 ZINC000158506430 1119065879 /nfs/dbraw/zinc/06/58/79/1119065879.db2.gz OJLFZVDMAJXCME-CABCVRRESA-N 0 3 280.371 3.505 20 30 CHEDHN C=CCCn1cc(CNCC(C)(C)C2CCCCC2)nn1 ZINC000657421412 1119073902 /nfs/dbraw/zinc/07/39/02/1119073902.db2.gz GTIGXQJAZJTESG-UHFFFAOYSA-N 0 3 290.455 3.550 20 30 CHEDHN C=CC[C@@H]1CCN1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000934468055 1119080411 /nfs/dbraw/zinc/08/04/11/1119080411.db2.gz ZCMHJEOKXOZBJP-OAHLLOKOSA-N 0 3 283.371 3.560 20 30 CHEDHN N#CC(C(=O)c1sccc1C1CC1)c1ccccn1 ZINC000342570113 1119088232 /nfs/dbraw/zinc/08/82/32/1119088232.db2.gz BFGGVFPQWSOAMZ-GFCCVEGCSA-N 0 3 268.341 3.511 20 30 CHEDHN N#CCCCN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000342726774 1119142869 /nfs/dbraw/zinc/14/28/69/1119142869.db2.gz IXGFXWZJJNBZFV-CYBMUJFWSA-N 0 3 269.175 3.874 20 30 CHEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000342765567 1119158127 /nfs/dbraw/zinc/15/81/27/1119158127.db2.gz PMXUBTAHGVKESY-RDJZCZTQSA-N 0 3 288.435 3.540 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncc(COC)s1 ZINC000657531197 1119158960 /nfs/dbraw/zinc/15/89/60/1119158960.db2.gz XVSMIFNWBHVINY-TZMCWYRMSA-N 0 3 280.437 3.514 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncc(COC)s1 ZINC000657531194 1119159301 /nfs/dbraw/zinc/15/93/01/1119159301.db2.gz XVSMIFNWBHVINY-JSGCOSHPSA-N 0 3 280.437 3.514 20 30 CHEDHN N#CCSCCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000074990838 1119171968 /nfs/dbraw/zinc/17/19/68/1119171968.db2.gz BYMHEXNUPAEERB-OAHLLOKOSA-N 0 3 296.386 3.749 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000135688440 1119213611 /nfs/dbraw/zinc/21/36/11/1119213611.db2.gz QGNWEOJFXZUKTC-OAHLLOKOSA-N 0 3 256.374 3.861 20 30 CHEDHN C=CCOCCCNCc1cc(Cl)sc1Cl ZINC000657659138 1119228577 /nfs/dbraw/zinc/22/85/77/1119228577.db2.gz OYSFTGAWANQJPQ-UHFFFAOYSA-N 0 3 280.220 3.737 20 30 CHEDHN N#CCCCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000343048463 1119290349 /nfs/dbraw/zinc/29/03/49/1119290349.db2.gz PAFHKZOUPXOEBL-UHFFFAOYSA-N 0 3 268.282 3.588 20 30 CHEDHN CCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCCC1 ZINC000176764120 1119305557 /nfs/dbraw/zinc/30/55/57/1119305557.db2.gz JMAGXNKYSPQXPP-GFCCVEGCSA-N 0 3 282.343 3.974 20 30 CHEDHN C#CCN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000157168143 1119384756 /nfs/dbraw/zinc/38/47/56/1119384756.db2.gz UBOXXPFORUATAK-SNVBAGLBSA-N 0 3 274.364 3.541 20 30 CHEDHN N#CC1(CN2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000343323667 1119384988 /nfs/dbraw/zinc/38/49/88/1119384988.db2.gz VCROFEBAXZJNHC-INIZCTEOSA-N 0 3 254.377 3.560 20 30 CHEDHN C=C(CC)CNCc1cc(Br)c(OC)s1 ZINC000449733145 1119387013 /nfs/dbraw/zinc/38/70/13/1119387013.db2.gz NSLNWUNNKSHXMM-UHFFFAOYSA-N 0 3 290.226 3.575 20 30 CHEDHN COc1ccc(C[C@@H](C)CN(CCC#N)C(C)C)cc1F ZINC000569634059 1119401893 /nfs/dbraw/zinc/40/18/93/1119401893.db2.gz LPQUUVRGNVOUIM-CQSZACIVSA-N 0 3 292.398 3.637 20 30 CHEDHN N#Cc1cc(F)ccc1CN1CCCC12CCCCC2 ZINC000536181289 1119449638 /nfs/dbraw/zinc/44/96/38/1119449638.db2.gz TVOIRQCDVRPPRV-UHFFFAOYSA-N 0 3 272.367 3.996 20 30 CHEDHN C=CCOc1cccc(CN2CCC(c3ccon3)CC2)c1 ZINC000668713948 1119454293 /nfs/dbraw/zinc/45/42/93/1119454293.db2.gz FREQSUVMYBDTEP-UHFFFAOYSA-N 0 3 298.386 3.619 20 30 CHEDHN CC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000343627348 1119473542 /nfs/dbraw/zinc/47/35/42/1119473542.db2.gz JEPNXVDOZXXJOL-AWEZNQCLSA-N 0 3 298.390 3.523 20 30 CHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C2CC2)C1 ZINC000329677642 1119477623 /nfs/dbraw/zinc/47/76/23/1119477623.db2.gz WRHYOBDMXOLXNN-CZUORRHYSA-N 0 3 297.402 3.657 20 30 CHEDHN C=CCCCCCN(C)Cc1cnn(C)c1C(F)(F)F ZINC000151638130 1119478822 /nfs/dbraw/zinc/47/88/22/1119478822.db2.gz TUFZOSDWPWMOBB-UHFFFAOYSA-N 0 3 289.345 3.617 20 30 CHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(SC2CCCC2)cc1 ZINC000658334816 1119725780 /nfs/dbraw/zinc/72/57/80/1119725780.db2.gz FFTUIWPTOKLJDP-UKRRQHHQSA-N 0 3 291.460 3.919 20 30 CHEDHN C[C@@H](CCc1ccccc1)CN1CCC[C@@](C)(C#N)C1 ZINC000612406832 1119784719 /nfs/dbraw/zinc/78/47/19/1119784719.db2.gz VCZHBYXAADOGSQ-WMZOPIPTSA-N 0 3 270.420 3.881 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)[C@@H]1CCO[C@H](C)C1 ZINC000420898518 1119842347 /nfs/dbraw/zinc/84/23/47/1119842347.db2.gz FIHKYNPNAFSZQK-VXGBXAGGSA-N 0 3 285.840 3.957 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CCCOc2cc(F)ccc21 ZINC000414166366 1119923994 /nfs/dbraw/zinc/92/39/94/1119923994.db2.gz NMFBHEKOZRIMHC-AWEZNQCLSA-N 0 3 276.355 3.569 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000659023003 1119993491 /nfs/dbraw/zinc/99/34/91/1119993491.db2.gz RVELMPINJAFYTP-CXAGYDPISA-N 0 3 299.418 3.546 20 30 CHEDHN Cc1ccccc1CN(C)Cc1ccc(C#N)c(F)c1 ZINC000361703429 1120191867 /nfs/dbraw/zinc/19/18/67/1120191867.db2.gz SHGCNSZBZWCBRH-UHFFFAOYSA-N 0 3 268.335 3.638 20 30 CHEDHN C=CC[C@@H](NCc1ccc(OC)cc1C)c1ccncc1 ZINC000921748793 1120195925 /nfs/dbraw/zinc/19/59/25/1120195925.db2.gz ZIWBDKGSKGFDAH-GOSISDBHSA-N 0 3 282.387 3.806 20 30 CHEDHN N#Cc1ccc(Br)c(CN[C@@H]2CC=CCC2)c1 ZINC000921758413 1120201004 /nfs/dbraw/zinc/20/10/04/1120201004.db2.gz XBIYSNGHASRRIG-CYBMUJFWSA-N 0 3 291.192 3.519 20 30 CHEDHN CCCOc1ccc(CNCc2ccc(C#N)cc2)c(C)c1 ZINC000188791934 1120256037 /nfs/dbraw/zinc/25/60/37/1120256037.db2.gz KRTIXWLAGXYFRD-UHFFFAOYSA-N 0 3 294.398 3.945 20 30 CHEDHN Cc1cccc(C)c1CNCc1csc(C#N)c1 ZINC000921862723 1120256240 /nfs/dbraw/zinc/25/62/40/1120256240.db2.gz MULHPUAEPMRLDV-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN COc1cc(F)cc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921958550 1120304575 /nfs/dbraw/zinc/30/45/75/1120304575.db2.gz ZXWMIDITUFDQRD-UHFFFAOYSA-N 0 3 298.361 3.613 20 30 CHEDHN CCCCCCCCCN[C@@H](C)c1nccn1C ZINC000182236361 1120316958 /nfs/dbraw/zinc/31/69/58/1120316958.db2.gz SHUHPCIVSGQHDB-AWEZNQCLSA-N 0 3 251.418 3.821 20 30 CHEDHN COc1ccccc1[C@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000695815046 1120504072 /nfs/dbraw/zinc/50/40/72/1120504072.db2.gz JUXUEWRMDPPKTK-STQMWFEESA-N 0 3 260.381 3.674 20 30 CHEDHN Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000922329180 1120514184 /nfs/dbraw/zinc/51/41/84/1120514184.db2.gz LDBTZBOUVLKEQB-CQSZACIVSA-N 0 3 280.371 3.732 20 30 CHEDHN Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000922329179 1120514240 /nfs/dbraw/zinc/51/42/40/1120514240.db2.gz LDBTZBOUVLKEQB-AWEZNQCLSA-N 0 3 280.371 3.732 20 30 CHEDHN C=CCN(Cc1c(C)noc1C)CC1CCCCC1 ZINC000069859797 1120522505 /nfs/dbraw/zinc/52/25/05/1120522505.db2.gz OHLLURPMRGNXIM-UHFFFAOYSA-N 0 3 262.397 3.860 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC12CCC2)c1ccc2ccccc2n1 ZINC000759815905 1120553463 /nfs/dbraw/zinc/55/34/63/1120553463.db2.gz VBSZOLGIJTWKSC-KBPBESRZSA-N 0 3 276.339 3.601 20 30 CHEDHN CCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1F ZINC000922759030 1120593084 /nfs/dbraw/zinc/59/30/84/1120593084.db2.gz JREXNOFZPCGDSX-UHFFFAOYSA-N 0 3 298.361 3.694 20 30 CHEDHN CC(C)[C@@H]1CCCC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331053391 1120593640 /nfs/dbraw/zinc/59/36/40/1120593640.db2.gz JJMMRSTWZISSRZ-YESZJQIVSA-N 0 3 299.418 3.939 20 30 CHEDHN N#Cc1cccc(CN2CCC(OC3CCCCC3)CC2)c1 ZINC000125518994 1120615926 /nfs/dbraw/zinc/61/59/26/1120615926.db2.gz URPORCWJECDHGN-UHFFFAOYSA-N 0 3 298.430 3.872 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000284212023 1120641475 /nfs/dbraw/zinc/64/14/75/1120641475.db2.gz SSJGNSTWOZIJTO-BFUOFWGJSA-N 0 3 292.382 3.992 20 30 CHEDHN C=CC[C@@H](N[C@@H]1CCc2ccc(OC)cc21)c1ccncc1 ZINC000766023016 1120666418 /nfs/dbraw/zinc/66/64/18/1120666418.db2.gz ZFQQYXMFPSUYFM-RTBURBONSA-N 0 3 294.398 3.985 20 30 CHEDHN C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1Cl ZINC000162911756 1120696906 /nfs/dbraw/zinc/69/69/06/1120696906.db2.gz QFZUHYGRQUTFJA-GFCCVEGCSA-N 0 3 262.784 3.976 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccco2)o1 ZINC000661117034 1120720803 /nfs/dbraw/zinc/72/08/03/1120720803.db2.gz CLMRPNLQQGTSBM-OLZOCXBDSA-N 0 3 287.363 3.554 20 30 CHEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651824186 1120754320 /nfs/dbraw/zinc/75/43/20/1120754320.db2.gz JOPSZRBDLHJHMJ-CRAIPNDOSA-N 0 3 296.414 3.726 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000661378817 1120759673 /nfs/dbraw/zinc/75/96/73/1120759673.db2.gz MUIRETOMQOYHSK-CYBMUJFWSA-N 0 3 256.349 3.616 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652166392 1120795092 /nfs/dbraw/zinc/79/50/92/1120795092.db2.gz QNRQKLPQRJPSAT-KDOFPFPSSA-N 0 3 282.387 3.734 20 30 CHEDHN C=CCN(Cc1cncc(Br)c1)C(C)(C)C ZINC000661756440 1120808959 /nfs/dbraw/zinc/80/89/59/1120808959.db2.gz PENYQPYTHJYDIS-UHFFFAOYSA-N 0 3 283.213 3.631 20 30 CHEDHN C=CCCCCCN[C@H](CC)c1nnc2n1CCCCC2 ZINC000661941216 1120842735 /nfs/dbraw/zinc/84/27/35/1120842735.db2.gz MCNYJZKLONHZIB-OAHLLOKOSA-N 0 3 290.455 3.792 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000662080818 1120871079 /nfs/dbraw/zinc/87/10/79/1120871079.db2.gz MURMUZRLJSJREQ-CWRNSKLLSA-N 0 3 295.386 3.981 20 30 CHEDHN C=C(Br)CN1CCC[C@H]1C1CCCC1 ZINC000057754984 1121016054 /nfs/dbraw/zinc/01/60/54/1121016054.db2.gz FAGKPWLNQKSYTG-LBPRGKRZSA-N 0 3 258.203 3.550 20 30 CHEDHN C[C@H]1CN(CCCCC(C)(C)C#N)Cc2ccccc2O1 ZINC000429180062 1121020141 /nfs/dbraw/zinc/02/01/41/1121020141.db2.gz XGMNHCJTRHUNLL-HNNXBMFYSA-N 0 3 286.419 3.990 20 30 CHEDHN C=CCCC[C@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000543545093 1121039649 /nfs/dbraw/zinc/03/96/49/1121039649.db2.gz HDJVGMWYJOPYBI-LSDHHAIUSA-N 0 3 284.407 3.663 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000625702144 1121061054 /nfs/dbraw/zinc/06/10/54/1121061054.db2.gz DLMXCOPRPJLAPY-CQSZACIVSA-N 0 3 298.386 3.748 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000625704560 1121064055 /nfs/dbraw/zinc/06/40/55/1121064055.db2.gz VARATGZGCADOMD-CQSZACIVSA-N 0 3 268.360 3.740 20 30 CHEDHN C=CC[C@H]1CCN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000625704429 1121064535 /nfs/dbraw/zinc/06/45/35/1121064535.db2.gz SJBKMQXWLHYJMS-ZDUSSCGKSA-N 0 3 286.350 3.879 20 30 CHEDHN C=CC[C@H]1CCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000625704813 1121065990 /nfs/dbraw/zinc/06/59/90/1121065990.db2.gz KZNLVPSCUFCUBT-ZDUSSCGKSA-N 0 3 286.350 3.879 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cc(Cl)ccc2OC)C1 ZINC001174891624 1121080726 /nfs/dbraw/zinc/08/07/26/1121080726.db2.gz UJWSEAFNZXDVCQ-GFCCVEGCSA-N 0 3 265.784 3.747 20 30 CHEDHN COc1cc(C)cc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000182058925 1121084886 /nfs/dbraw/zinc/08/48/86/1121084886.db2.gz DUPITQICJCQVOG-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN N#CCCCNCc1cccc(Oc2ccccc2)c1 ZINC000344297844 1121137611 /nfs/dbraw/zinc/13/76/11/1121137611.db2.gz DGTLLGSXJBHNCV-UHFFFAOYSA-N 0 3 266.344 3.872 20 30 CHEDHN C[C@@H]1Cc2ccccc2CN1Cc1cccc(C#N)c1 ZINC000172908617 1121165917 /nfs/dbraw/zinc/16/59/17/1121165917.db2.gz WKSVNCAAFWTFQS-CQSZACIVSA-N 0 3 262.356 3.505 20 30 CHEDHN C[C@@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1 ZINC000172908181 1121166594 /nfs/dbraw/zinc/16/65/94/1121166594.db2.gz KKWOUPQXASIKQJ-CQSZACIVSA-N 0 3 262.356 3.505 20 30 CHEDHN C=CCOc1ccc(CN(CC)CCOCC)cc1Cl ZINC000512275897 1121243359 /nfs/dbraw/zinc/24/33/59/1121243359.db2.gz GVPXTFDPJQSHHY-UHFFFAOYSA-N 0 3 297.826 3.763 20 30 CHEDHN CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000042976778 1121319708 /nfs/dbraw/zinc/31/97/08/1121319708.db2.gz JWUHIQOWEKAVLQ-UHFFFAOYSA-N 0 3 280.371 3.589 20 30 CHEDHN C=C[C@H](C)N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000675933406 1121388696 /nfs/dbraw/zinc/38/86/96/1121388696.db2.gz DLTNWLYYBDHLNT-GXFFZTMASA-N 0 3 273.298 3.557 20 30 CHEDHN C=C(C)CCN(CCC)CC(=O)Nc1ccccc1C ZINC000509264498 1121494353 /nfs/dbraw/zinc/49/43/53/1121494353.db2.gz QPCWYCRYSYFTRW-UHFFFAOYSA-N 0 3 274.408 3.612 20 30 CHEDHN C=C(C)CCN1CCc2cc(OCC)c(OCC)cc2C1 ZINC000509329277 1121530670 /nfs/dbraw/zinc/53/06/70/1121530670.db2.gz YCAJSETZEUIFMC-UHFFFAOYSA-N 0 3 289.419 3.808 20 30 CHEDHN N#Cc1cccc(CN2C3CCCC2CCC3)c1F ZINC000611372211 1121640629 /nfs/dbraw/zinc/64/06/29/1121640629.db2.gz PCCCSUHTQSVJPY-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN Cc1ccccc1[C@@H](NCc1ccnc(C#N)c1)C(C)C ZINC000611394067 1121643303 /nfs/dbraw/zinc/64/33/03/1121643303.db2.gz BPIGDSYGWSGVFX-SFHVURJKSA-N 0 3 279.387 3.749 20 30 CHEDHN CCOc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1O ZINC000611438933 1121647312 /nfs/dbraw/zinc/64/73/12/1121647312.db2.gz TXJWGNRIXKWOFH-CYBMUJFWSA-N 0 3 296.370 3.513 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCO[C@@H](C(C)(C)C)CC1 ZINC001176995581 1121704696 /nfs/dbraw/zinc/70/46/96/1121704696.db2.gz NCCRHHGMSFXMES-QGZVFWFLSA-N 0 3 286.419 3.504 20 30 CHEDHN CCCCCCC[C@H](C)CNCc1cc(C)n(C)n1 ZINC001177429482 1121730988 /nfs/dbraw/zinc/73/09/88/1121730988.db2.gz ZADKDTHCAMKXDU-AWEZNQCLSA-N 0 3 265.445 3.815 20 30 CHEDHN CC(C)c1cccc(NC(=O)C(C#N)Cc2cccs2)n1 ZINC001177903048 1121754866 /nfs/dbraw/zinc/75/48/66/1121754866.db2.gz DOKBKEDOZMPBPN-GFCCVEGCSA-N 0 3 299.399 3.587 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(F)c(C)c2)cc1 ZINC000751505648 1121791198 /nfs/dbraw/zinc/79/11/98/1121791198.db2.gz QZNAEXHWGVELIL-HNNXBMFYSA-N 0 3 297.373 3.997 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)ccc1OCC ZINC001178763038 1121814106 /nfs/dbraw/zinc/81/41/06/1121814106.db2.gz YEVGTLURRFGULS-CABCVRRESA-N 0 3 295.810 3.562 20 30 CHEDHN Cc1cc(CNCc2ccc(C#N)c(Cl)c2)ccc1C#N ZINC000619748968 1129012074 /nfs/dbraw/zinc/01/20/74/1129012074.db2.gz ZQBOEGHILSNBFR-UHFFFAOYSA-N 0 3 295.773 3.682 20 30 CHEDHN C(#CC1CCN(Cc2ccoc2)CC1)c1ccccc1 ZINC001204244815 1121877777 /nfs/dbraw/zinc/87/77/77/1121877777.db2.gz SIFQWJIONVQNKN-UHFFFAOYSA-N 0 3 265.356 3.543 20 30 CHEDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC#Cc1ccccc1 ZINC001179919899 1121931652 /nfs/dbraw/zinc/93/16/52/1121931652.db2.gz QFMNAIVSEZFKTN-ROUUACIJSA-N 0 3 285.431 3.564 20 30 CHEDHN C=CCOc1cccc(CNC(C)(C)c2ccc(C)nc2)c1 ZINC000353155389 1121936151 /nfs/dbraw/zinc/93/61/51/1121936151.db2.gz ASVQIAAVZDLOPB-UHFFFAOYSA-N 0 3 296.414 3.980 20 30 CHEDHN C#CCN(Cc1cn(C)nc1C1CCCC1)C1CCCCC1 ZINC001180030152 1121938870 /nfs/dbraw/zinc/93/88/70/1121938870.db2.gz JANNSAIIIXLCBR-UHFFFAOYSA-N 0 3 299.462 3.846 20 30 CHEDHN C=CCOc1ccc(CN[C@H]2CCCc3ncccc32)cc1 ZINC000631629638 1121977616 /nfs/dbraw/zinc/97/76/16/1121977616.db2.gz QRLJQBLDBDVXIE-IBGZPJMESA-N 0 3 294.398 3.814 20 30 CHEDHN N#CC1(CN2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000501542327 1121986408 /nfs/dbraw/zinc/98/64/08/1121986408.db2.gz UPZGMEOEGQKMTG-KRWDZBQOSA-N 0 3 268.404 3.777 20 30 CHEDHN C=C(CC)CN(C)Cc1cc(Br)cs1 ZINC000404152049 1129025489 /nfs/dbraw/zinc/02/54/89/1129025489.db2.gz BJQQCYKNQXMWNN-UHFFFAOYSA-N 0 3 274.227 3.909 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H](CC)[C@H]1C ZINC001181044608 1122030272 /nfs/dbraw/zinc/03/02/72/1122030272.db2.gz WJXCNJKPMCKPKX-KGLIPLIRSA-N 0 3 291.822 3.972 20 30 CHEDHN C=CCN(CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000502309780 1122073779 /nfs/dbraw/zinc/07/37/79/1122073779.db2.gz BNMKFHCSMQAWCK-UHFFFAOYSA-N 0 3 292.382 3.625 20 30 CHEDHN CC(C)N(Cc1cc(C#N)n(C)c1)[C@H](C)c1ccsc1 ZINC000421372789 1122103627 /nfs/dbraw/zinc/10/36/27/1122103627.db2.gz MRDQBEVHZRZBBZ-CYBMUJFWSA-N 0 3 287.432 3.930 20 30 CHEDHN CCc1ccc([C@@H]2CCN(Cc3cccc(C#N)n3)C2)cc1 ZINC001182072385 1122108678 /nfs/dbraw/zinc/10/86/78/1122108678.db2.gz PCUANNJQNHTVNT-QGZVFWFLSA-N 0 3 291.398 3.505 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000035045327 1122157468 /nfs/dbraw/zinc/15/74/68/1122157468.db2.gz HHHKNAKZYYBQLZ-MRXNPFEDSA-N 0 3 280.396 3.885 20 30 CHEDHN C[C@H](NCCCC(C)(C)C#N)c1c(F)cccc1F ZINC000271756648 1122173914 /nfs/dbraw/zinc/17/39/14/1122173914.db2.gz LUMAXIJGUMJJRM-NSHDSACASA-N 0 3 266.335 3.945 20 30 CHEDHN C#CC1CCN(Cc2c(Cl)cccc2CC)CC1 ZINC001182542041 1122174378 /nfs/dbraw/zinc/17/43/78/1122174378.db2.gz ATBKTTVTCYKORZ-UHFFFAOYSA-N 0 3 261.796 3.748 20 30 CHEDHN Cc1ccc(CCNCC2(C#N)CCCC2)cc1C ZINC001182685285 1122182602 /nfs/dbraw/zinc/18/26/02/1122182602.db2.gz PXTPXNIERISISM-UHFFFAOYSA-N 0 3 256.393 3.520 20 30 CHEDHN CCCCCCCCC[C@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001258229792 1129040986 /nfs/dbraw/zinc/04/09/86/1129040986.db2.gz PJPUAFXZOYKISO-JKSUJKDBSA-N 0 3 295.471 3.617 20 30 CHEDHN C#CCN[C@H](C)c1ccc(OCCCCC)c(OC)c1 ZINC000775112352 1122425658 /nfs/dbraw/zinc/42/56/58/1122425658.db2.gz KDROFPYEJZFQQU-CQSZACIVSA-N 0 3 275.392 3.548 20 30 CHEDHN C#C[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000775186051 1122470443 /nfs/dbraw/zinc/47/04/43/1122470443.db2.gz ZKUAPSDSBXBVMM-CQSZACIVSA-N 0 3 265.356 3.513 20 30 CHEDHN C#C[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000775186051 1122470447 /nfs/dbraw/zinc/47/04/47/1122470447.db2.gz ZKUAPSDSBXBVMM-CQSZACIVSA-N 0 3 265.356 3.513 20 30 CHEDHN C=CCOc1cccc(CN(C)Cc2ccc(OC)cc2)c1 ZINC000505775708 1122523989 /nfs/dbraw/zinc/52/39/89/1122523989.db2.gz DSMINXFUMLSFMG-UHFFFAOYSA-N 0 3 297.398 3.892 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(Cl)nc1 ZINC000775376884 1122533633 /nfs/dbraw/zinc/53/36/33/1122533633.db2.gz DLFCVTWYSGVXCW-MRXNPFEDSA-N 0 3 297.789 3.774 20 30 CHEDHN C#CCN(C[C@H]1CCCC(C)(C)O1)[C@@H]1CCc2ccccc21 ZINC001190530042 1122542408 /nfs/dbraw/zinc/54/24/08/1122542408.db2.gz ZBAPLJFOGJHCTB-IEBWSBKVSA-N 0 3 297.442 3.957 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(OC(F)F)c(F)c1 ZINC000505848577 1122560550 /nfs/dbraw/zinc/56/05/50/1122560550.db2.gz VZARWELNVSXZMY-UHFFFAOYSA-N 0 3 273.298 3.825 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(OCc2ccccn2)cc1 ZINC000505897311 1122593140 /nfs/dbraw/zinc/59/31/40/1122593140.db2.gz DHIPNDCTUHFOBD-UHFFFAOYSA-N 0 3 294.398 3.835 20 30 CHEDHN C[C@H](CC(C)(C)c1ccccc1)NC[C@@H](C#N)CCC#N ZINC000516452856 1122602512 /nfs/dbraw/zinc/60/25/12/1122602512.db2.gz BOECJUYRORNONM-HZPDHXFCSA-N 0 3 283.419 3.776 20 30 CHEDHN CC1=CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000437346717 1122629582 /nfs/dbraw/zinc/62/95/82/1122629582.db2.gz LHNGHAKJBHUKPT-UHFFFAOYSA-N 0 3 270.376 3.521 20 30 CHEDHN CCN(C[C@H](C)C#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437581389 1122643278 /nfs/dbraw/zinc/64/32/78/1122643278.db2.gz PIHJQNGFLABWMO-NXHRZFHOSA-N 0 3 270.420 3.978 20 30 CHEDHN CC(C)(C)C1=CCN(CCOc2ccccc2C#N)CC1 ZINC001193021973 1122670958 /nfs/dbraw/zinc/67/09/58/1122670958.db2.gz NJUSRMLAXIMRCL-UHFFFAOYSA-N 0 3 284.403 3.615 20 30 CHEDHN CC(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000438348284 1122693195 /nfs/dbraw/zinc/69/31/95/1122693195.db2.gz RQYMAEPUHWXSME-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426038980 1122706173 /nfs/dbraw/zinc/70/61/73/1122706173.db2.gz IBSKULHBORUCKV-CQSZACIVSA-N 0 3 273.376 3.985 20 30 CHEDHN C[C@H](C1CC1)N(Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439443026 1122779661 /nfs/dbraw/zinc/77/96/61/1122779661.db2.gz UBSKDBAQDVGJCF-LLVKDONJSA-N 0 3 274.795 3.975 20 30 CHEDHN CCCCCCCCCOC(=O)NC[C@H]1CCCN1C ZINC001194919483 1122822590 /nfs/dbraw/zinc/82/25/90/1122822590.db2.gz DSZYDDDOMFAIKA-OAHLLOKOSA-N 0 3 284.444 3.557 20 30 CHEDHN C=C1CCN(CCSc2ccc(F)cc2)CC1 ZINC000519445229 1122838311 /nfs/dbraw/zinc/83/83/11/1122838311.db2.gz LHTAWCJDOAMBIY-UHFFFAOYSA-N 0 3 251.370 3.570 20 30 CHEDHN CC(C)(C)CN(CCC#N)CCCCC(F)(F)F ZINC000154097836 1129082786 /nfs/dbraw/zinc/08/27/86/1129082786.db2.gz HYYFXEIZZRTGSD-UHFFFAOYSA-N 0 3 264.335 3.981 20 30 CHEDHN CC[C@@H](NCCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000345983826 1122884579 /nfs/dbraw/zinc/88/45/79/1122884579.db2.gz VYJNVCVVCVHMPT-CQSZACIVSA-N 0 3 275.352 3.575 20 30 CHEDHN Cc1csc(C(C#N)=C([O-])c2cccc3c2CCCC3)n1 ZINC000519583195 1122911132 /nfs/dbraw/zinc/91/11/32/1122911132.db2.gz LDXQZWAXXVHUMR-HNNXBMFYSA-N 0 3 296.395 3.820 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2cccc3c2CCCC3)n1 ZINC000519583195 1122911134 /nfs/dbraw/zinc/91/11/34/1122911134.db2.gz LDXQZWAXXVHUMR-HNNXBMFYSA-N 0 3 296.395 3.820 20 30 CHEDHN C#CCN(C[C@@H]1CCC(C)(C)O1)[C@@H]1CCCc2ccccc21 ZINC001198105355 1122982086 /nfs/dbraw/zinc/98/20/86/1122982086.db2.gz WXFVQIATIUEWNL-PKOBYXMFSA-N 0 3 297.442 3.957 20 30 CHEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(CC)cc1 ZINC001198406011 1122990486 /nfs/dbraw/zinc/99/04/86/1122990486.db2.gz CXSWXCACVOVZPC-QGZVFWFLSA-N 0 3 286.419 3.618 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NC1(c3ccc(F)cc3)CC1)CC2 ZINC000519618574 1123002234 /nfs/dbraw/zinc/00/22/34/1123002234.db2.gz VQCJVBMBSXSTIX-GOSISDBHSA-N 0 3 292.357 3.964 20 30 CHEDHN CCOc1ccc2c(c1)CCN(CCCC(C)(C)C#N)C2 ZINC000441063230 1123054401 /nfs/dbraw/zinc/05/44/01/1123054401.db2.gz GORHLJZCSQXXGL-UHFFFAOYSA-N 0 3 286.419 3.773 20 30 CHEDHN CN(CC#Cc1ccccc1Cl)C1Cc2ccccc2C1 ZINC000441139192 1123060850 /nfs/dbraw/zinc/06/08/50/1123060850.db2.gz HJLASEBTATURBL-UHFFFAOYSA-N 0 3 295.813 3.791 20 30 CHEDHN N#Cc1c(CN2CCC[C@@H]3CCC[C@@H]32)cn2ccccc12 ZINC000441432721 1123116777 /nfs/dbraw/zinc/11/67/77/1123116777.db2.gz FGWCDDHYOIOFND-YOEHRIQHSA-N 0 3 279.387 3.575 20 30 CHEDHN CCCCCCCN1CC2(C1)CC(F)(F)CS2 ZINC001201797994 1123150386 /nfs/dbraw/zinc/15/03/86/1123150386.db2.gz KGXPAUFRPIMICJ-UHFFFAOYSA-N 0 3 263.397 3.783 20 30 CHEDHN CCCCCCCCCCN1CC[C@@](F)(CO)C1 ZINC001201852722 1123152403 /nfs/dbraw/zinc/15/24/03/1123152403.db2.gz IEESMVYIHKNXOG-HNNXBMFYSA-N 0 3 259.409 3.533 20 30 CHEDHN CCCCCCCCCN1CC(N2CCC(F)CC2)C1 ZINC001201846804 1123155982 /nfs/dbraw/zinc/15/59/82/1123155982.db2.gz LRUVOQUTCFWFGX-UHFFFAOYSA-N 0 3 284.463 3.855 20 30 CHEDHN C=C[C@@H](COC)NCc1cccc(COc2ccccc2)c1 ZINC001202093393 1123174503 /nfs/dbraw/zinc/17/45/03/1123174503.db2.gz SXJSRIDTRYFUPZ-SFHVURJKSA-N 0 3 297.398 3.556 20 30 CHEDHN C=CCCOCCN[C@H](CC)c1ccc(F)cc1F ZINC000155622399 1129104510 /nfs/dbraw/zinc/10/45/10/1129104510.db2.gz YROMWCJJBMZCQM-OAHLLOKOSA-N 0 3 269.335 3.598 20 30 CHEDHN CCCCCCCC[C@H](O)CNCc1ncccc1C ZINC001252120294 1123220643 /nfs/dbraw/zinc/22/06/43/1123220643.db2.gz RUEUAVMDPKZWRX-INIZCTEOSA-N 0 3 278.440 3.591 20 30 CHEDHN C#CC[C@@H](NCc1cc(COC)cs1)c1ccccc1 ZINC000850227053 1123248094 /nfs/dbraw/zinc/24/80/94/1123248094.db2.gz WRTFUWKOHWPFNV-QGZVFWFLSA-N 0 3 285.412 3.749 20 30 CHEDHN Cc1cc(O)c(CNCC2(C#N)CCCCC2)cc1C ZINC000850390393 1123262178 /nfs/dbraw/zinc/26/21/78/1123262178.db2.gz GWLBNGNJMGLLAG-UHFFFAOYSA-N 0 3 272.392 3.573 20 30 CHEDHN C#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1 ZINC000850395602 1123262992 /nfs/dbraw/zinc/26/29/92/1123262992.db2.gz IYDOLHQAYUXTSW-PMACEKPBSA-N 0 3 293.410 3.516 20 30 CHEDHN CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(C)cc1[O-] ZINC000850489380 1123274603 /nfs/dbraw/zinc/27/46/03/1123274603.db2.gz STFWTBMPVBEDDU-GOSISDBHSA-N 0 3 294.398 3.856 20 30 CHEDHN CC[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccc(C#N)cc1 ZINC000850524836 1123280883 /nfs/dbraw/zinc/28/08/83/1123280883.db2.gz DSMALQOQUWPASP-FHWLQOOXSA-N 0 3 292.382 3.777 20 30 CHEDHN C[C@@H](CSC(C)(C)C)NCC1(C#N)CCCCC1 ZINC000850551733 1123289305 /nfs/dbraw/zinc/28/93/05/1123289305.db2.gz VDZWGCNQCAEPSA-ZDUSSCGKSA-N 0 3 268.470 3.970 20 30 CHEDHN N#CC(C(=O)C1CC2(CC2)C1)c1ccc2ccccc2n1 ZINC000850741561 1123298315 /nfs/dbraw/zinc/29/83/15/1123298315.db2.gz LQGUJBFWJCOHMV-AWEZNQCLSA-N 0 3 276.339 3.601 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2nsc3ccccc32)C1 ZINC000852206950 1123399755 /nfs/dbraw/zinc/39/97/55/1123399755.db2.gz VXPSGILXVRBZKI-ZDUSSCGKSA-N 0 3 270.401 3.532 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1cc(-c2ccccc2)cn1 ZINC000853597754 1123443925 /nfs/dbraw/zinc/44/39/25/1123443925.db2.gz FCJREWGVBAWRAS-HDICACEKSA-N 0 3 279.387 3.691 20 30 CHEDHN C[C@H]1C[C@H](NCCCC#N)c2ccsc2S1 ZINC000273250541 1129124326 /nfs/dbraw/zinc/12/43/26/1129124326.db2.gz KXDLGSRCWDPLHT-ONGXEEELSA-N 0 3 252.408 3.567 20 30 CHEDHN C[C@H](c1ccccc1)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000895550196 1123492166 /nfs/dbraw/zinc/49/21/66/1123492166.db2.gz BKMSSUSQRDTYBE-QGZVFWFLSA-N 0 3 299.462 3.695 20 30 CHEDHN C=CCC1(O)CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000895835133 1123520579 /nfs/dbraw/zinc/52/05/79/1123520579.db2.gz ADCCVTFRYJNKQC-UHFFFAOYSA-N 0 3 297.398 3.850 20 30 CHEDHN C#CCCCCN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000858380092 1123648797 /nfs/dbraw/zinc/64/87/97/1123648797.db2.gz UGSFSPXCBDWIPT-HNNXBMFYSA-N 0 3 281.403 3.541 20 30 CHEDHN C=C(C)[C@@H](NC[C@H]1CCC=CO1)c1ccc(F)c(F)c1 ZINC000194718335 1129137933 /nfs/dbraw/zinc/13/79/33/1129137933.db2.gz LYFXWFTXFPINHR-CZUORRHYSA-N 0 3 279.330 3.864 20 30 CHEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000329876829 1123656409 /nfs/dbraw/zinc/65/64/09/1123656409.db2.gz IKNVUIIHWLBOSB-CHWSQXEVSA-N 0 3 298.390 3.538 20 30 CHEDHN CCCCCCCN1CCc2nc(C3CC3)ncc2C1 ZINC000859795576 1123710382 /nfs/dbraw/zinc/71/03/82/1123710382.db2.gz PSKLRRAQKXISIT-UHFFFAOYSA-N 0 3 273.424 3.683 20 30 CHEDHN C=CCCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000117881470 1123763427 /nfs/dbraw/zinc/76/34/27/1123763427.db2.gz JSNMBLUPQWLENC-UHFFFAOYSA-N 0 3 271.360 3.954 20 30 CHEDHN C=CCCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000117881470 1123763429 /nfs/dbraw/zinc/76/34/29/1123763429.db2.gz JSNMBLUPQWLENC-UHFFFAOYSA-N 0 3 271.360 3.954 20 30 CHEDHN Cc1onc(-c2ccccc2)c1CN1CCC[C@@H](C#N)CC1 ZINC001141988293 1123796552 /nfs/dbraw/zinc/79/65/52/1123796552.db2.gz PCNKYLPDNGZZGP-OAHLLOKOSA-N 0 3 295.386 3.776 20 30 CHEDHN C=CCN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000158537268 1129146039 /nfs/dbraw/zinc/14/60/39/1129146039.db2.gz QHGUTPUUXYEVQS-KRWDZBQOSA-N 0 3 295.361 3.692 20 30 CHEDHN C=C[C@](C)(O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC001252568594 1123804156 /nfs/dbraw/zinc/80/41/56/1123804156.db2.gz LSISVEAESJUHEJ-RNCFNFMXSA-N 0 3 274.191 3.581 20 30 CHEDHN N#CC(C(=O)C=Cc1ccc2ccccc2n1)c1ccccn1 ZINC000083938222 1129151937 /nfs/dbraw/zinc/15/19/37/1129151937.db2.gz VKDNGKVPMCYLHO-SIFUEBAJSA-N 0 3 299.333 3.519 20 30 CHEDHN C=CCN(Cc1cccs1)Cc1cc(C)ccc1O ZINC000119941944 1123918967 /nfs/dbraw/zinc/91/89/67/1123918967.db2.gz BASICCFQCFSADB-UHFFFAOYSA-N 0 3 273.401 3.950 20 30 CHEDHN C=CCN(Cc1cccs1)Cc1cccc(OC)c1O ZINC000119939513 1123919513 /nfs/dbraw/zinc/91/95/13/1123919513.db2.gz LKHBXWUIEPNWMS-UHFFFAOYSA-N 0 3 289.400 3.651 20 30 CHEDHN C=CCOc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000120045053 1123929143 /nfs/dbraw/zinc/92/91/43/1123929143.db2.gz BWCMBLOEQVMMHQ-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C=CCOc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000120045053 1123929145 /nfs/dbraw/zinc/92/91/45/1123929145.db2.gz BWCMBLOEQVMMHQ-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C=CCSCCNc1ccnc2ccc(C)cc21 ZINC000302169100 1123960006 /nfs/dbraw/zinc/96/00/06/1123960006.db2.gz TULFVDZUEFIDGL-UHFFFAOYSA-N 0 3 258.390 3.874 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@@H]2CCCC[C@H]21 ZINC000543907482 1123983551 /nfs/dbraw/zinc/98/35/51/1123983551.db2.gz QKPUNAQQQMBSRZ-OAUYIBNBSA-N 0 3 272.367 3.708 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866283681 1124047214 /nfs/dbraw/zinc/04/72/14/1124047214.db2.gz ZKBUVMMXZZXSDS-BDAKNGLRSA-N 0 3 250.729 3.706 20 30 CHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000193295019 1124125318 /nfs/dbraw/zinc/12/53/18/1124125318.db2.gz SITAVWXCSIHBQX-QEJZJMRPSA-N 0 3 288.439 3.680 20 30 CHEDHN Cc1ccccc1C[C@H](C)N(C)Cc1ccccc1C#N ZINC000447100746 1124133302 /nfs/dbraw/zinc/13/33/02/1124133302.db2.gz VOVYVMAUIDFGLT-INIZCTEOSA-N 0 3 278.399 3.930 20 30 CHEDHN C=CCC(CC=C)C(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867988671 1124452527 /nfs/dbraw/zinc/45/25/27/1124452527.db2.gz RONJZOXBYHIUJQ-INIZCTEOSA-N 0 3 284.403 3.580 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1c1ccccc1 ZINC000448158565 1124567372 /nfs/dbraw/zinc/56/73/72/1124567372.db2.gz FPAPYPSRWHQWRE-GOSISDBHSA-N 0 3 292.382 3.904 20 30 CHEDHN COc1ccc(CN(CC2(C#N)CCC2)[C@H](C)C2CC2)cc1 ZINC000450288764 1124967359 /nfs/dbraw/zinc/96/73/59/1124967359.db2.gz UDZRJORISVZGPB-OAHLLOKOSA-N 0 3 298.430 3.990 20 30 CHEDHN CC(C)(CCc1ccccc1)NCC1(C#N)CCC1 ZINC000450352331 1124995915 /nfs/dbraw/zinc/99/59/15/1124995915.db2.gz VMCZKXSADLTZOZ-UHFFFAOYSA-N 0 3 256.393 3.681 20 30 CHEDHN Cc1cccc([C@@H](C)CNCc2cc(C#N)cnc2Cl)c1 ZINC000877061903 1125004225 /nfs/dbraw/zinc/00/42/25/1125004225.db2.gz UHEPLOPBEQIHIJ-ZDUSSCGKSA-N 0 3 299.805 3.808 20 30 CHEDHN Cc1ccccc1C[C@@H]1CCCN1CC1(C#N)CCC1 ZINC000450402018 1125014765 /nfs/dbraw/zinc/01/47/65/1125014765.db2.gz BFOXDDBSIMGUGS-KRWDZBQOSA-N 0 3 268.404 3.696 20 30 CHEDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000877594608 1125049553 /nfs/dbraw/zinc/04/95/53/1125049553.db2.gz WKZUVIGJFKGNSA-SFHVURJKSA-N 0 3 292.382 3.740 20 30 CHEDHN CC(=O)[C@@](C#N)(CCN1CCCC(C)(C)C1)c1ccccc1 ZINC000878101225 1125120049 /nfs/dbraw/zinc/12/00/49/1125120049.db2.gz PJMOUEMZLLDMBR-IBGZPJMESA-N 0 3 298.430 3.549 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1CCCC(C)(C)C1)c1ccccc1 ZINC000878101226 1125120151 /nfs/dbraw/zinc/12/01/51/1125120151.db2.gz PJMOUEMZLLDMBR-LJQANCHMSA-N 0 3 298.430 3.549 20 30 CHEDHN CC1(C#N)CCN(C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878389740 1125147449 /nfs/dbraw/zinc/14/74/49/1125147449.db2.gz RUFHRZABECOGPT-DLBZAZTESA-N 0 3 284.403 3.532 20 30 CHEDHN C=C(C)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000121819555 1125157175 /nfs/dbraw/zinc/15/71/75/1125157175.db2.gz ZKFNDFHNZHUMBR-GFCCVEGCSA-N 0 3 273.355 3.547 20 30 CHEDHN C=C[C@@H](C)N[C@H](CC)c1ccccc1OC(F)F ZINC000358308770 1125204350 /nfs/dbraw/zinc/20/43/50/1125204350.db2.gz ZDWYCDBXTFTISN-ZYHUDNBSSA-N 0 3 255.308 3.903 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c1F ZINC000879672060 1125224618 /nfs/dbraw/zinc/22/46/18/1125224618.db2.gz RKQNTFRBEFWBQY-CHWSQXEVSA-N 0 3 298.283 3.684 20 30 CHEDHN C=CCCC[C@@H](NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000880388842 1125271198 /nfs/dbraw/zinc/27/11/98/1125271198.db2.gz AOZJFBXGDXCPAM-OAHLLOKOSA-N 0 3 284.407 3.554 20 30 CHEDHN Cc1ccc(CC(=O)C(C#N)c2nc3ccccc3s2)o1 ZINC000760150974 1125275685 /nfs/dbraw/zinc/27/56/85/1125275685.db2.gz IOURALYKNTUAIM-GFCCVEGCSA-N 0 3 296.351 3.617 20 30 CHEDHN C#CC[C@@H](NCc1ccc2c(c1)COC2)c1ccccc1 ZINC000756995912 1125304508 /nfs/dbraw/zinc/30/45/08/1125304508.db2.gz MHKCEAOXIDJKBC-LJQANCHMSA-N 0 3 277.367 3.571 20 30 CHEDHN N#CCCCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249506 1125323382 /nfs/dbraw/zinc/32/33/82/1125323382.db2.gz WUDNMJXHSRDKLM-CQSZACIVSA-N 0 3 262.784 3.651 20 30 CHEDHN C=CC[C@@H](NCc1cccc2c1CCOC2)c1ccncc1 ZINC000883003282 1125367824 /nfs/dbraw/zinc/36/78/24/1125367824.db2.gz HYUXNKFLHQFGKX-LJQANCHMSA-N 0 3 294.398 3.561 20 30 CHEDHN C=CCC[C@@H](CCC)NC1(c2ncccn2)CCC1 ZINC000883314007 1125394380 /nfs/dbraw/zinc/39/43/80/1125394380.db2.gz SLNQXBLXEQQCDS-CQSZACIVSA-N 0 3 259.397 3.580 20 30 CHEDHN C=CCCCCCC[C@@H](O)CN1CCc2sccc2C1 ZINC001253235142 1125416101 /nfs/dbraw/zinc/41/61/01/1125416101.db2.gz HWFOGAOMIRUFID-MRXNPFEDSA-N 0 3 293.476 3.994 20 30 CHEDHN CN(C[C@@H](C#N)CCC#N)CC12CC3CC(CC(C3)C1)C2 ZINC000028922736 1125416142 /nfs/dbraw/zinc/41/61/42/1125416142.db2.gz DNRVYEFLVQZCLJ-CZVCLPBNSA-N 0 3 285.435 3.578 20 30 CHEDHN Cc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000037719110 1129205827 /nfs/dbraw/zinc/20/58/27/1129205827.db2.gz YZMBPZKIHHWISN-AWEZNQCLSA-N 0 3 250.345 3.718 20 30 CHEDHN C=C(C)CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100475 1129280837 /nfs/dbraw/zinc/28/08/37/1129280837.db2.gz OOENTJNXWLRRIC-CYBMUJFWSA-N 0 3 274.191 3.583 20 30 CHEDHN N#CCOc1ccc(Cl)cc1CN1CCC[C@H]1C1CC1 ZINC000735309230 1129340229 /nfs/dbraw/zinc/34/02/29/1129340229.db2.gz JQAFESJAMVPWTI-HNNXBMFYSA-N 0 3 290.794 3.617 20 30 CHEDHN C=CCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000735492937 1129349192 /nfs/dbraw/zinc/34/91/92/1129349192.db2.gz LAJXPQJPQJYWJH-HLLBOEOZSA-N 0 3 259.393 3.803 20 30 CHEDHN C#CCSCCNCc1ccc(-c2ccccc2F)o1 ZINC000740014039 1129410638 /nfs/dbraw/zinc/41/06/38/1129410638.db2.gz BLAUNTVEDCBFRZ-UHFFFAOYSA-N 0 3 289.375 3.542 20 30 CHEDHN C=C(C)CNC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000642327949 1129414510 /nfs/dbraw/zinc/41/45/10/1129414510.db2.gz SDORVAHWPYWRMK-UHFFFAOYSA-N 0 3 297.398 3.959 20 30 CHEDHN COc1ccc(CN[C@@H]2C[C@@H](C)c3ccccc32)cc1C#N ZINC000742370315 1129474714 /nfs/dbraw/zinc/47/47/14/1129474714.db2.gz KLHYYZKQOSQCDI-FZKQIMNGSA-N 0 3 292.382 3.905 20 30 CHEDHN CC(C)C[C@H](Cc1ccccc1)NCc1ncc(C#N)s1 ZINC001169058906 1129693848 /nfs/dbraw/zinc/69/38/48/1129693848.db2.gz ABKYYASYOIBXGJ-OAHLLOKOSA-N 0 3 299.443 3.762 20 30 CHEDHN C=CC[C@H](C)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001169198310 1129707059 /nfs/dbraw/zinc/70/70/59/1129707059.db2.gz WASNJEWOCCKCTO-ZDUSSCGKSA-N 0 3 296.817 3.561 20 30 CHEDHN CCC1(CC)CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC001169430897 1129728305 /nfs/dbraw/zinc/72/83/05/1129728305.db2.gz LWBUENQQGWIALZ-UHFFFAOYSA-N 0 3 286.419 3.969 20 30 CHEDHN C=CCN(Cc1ccc(Cl)cc1OC)C(C)C ZINC000796453288 1129729479 /nfs/dbraw/zinc/72/94/79/1129729479.db2.gz GBUUTWBPNZGSMJ-UHFFFAOYSA-N 0 3 253.773 3.745 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651734565 1129746239 /nfs/dbraw/zinc/74/62/39/1129746239.db2.gz NWKUIEKLDWHTPQ-INIZCTEOSA-N 0 3 296.414 3.992 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2nc(C3CC3)cs2)C1 ZINC000651739340 1129747087 /nfs/dbraw/zinc/74/70/87/1129747087.db2.gz RPJPHHOMCIOUHC-YPMHNXCESA-N 0 3 262.422 3.855 20 30 CHEDHN CC[C@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCCO1 ZINC000653875584 1129799415 /nfs/dbraw/zinc/79/94/15/1129799415.db2.gz WVKOCYCBVUKGRV-DLBZAZTESA-N 0 3 291.822 3.629 20 30 CHEDHN CCCC[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000800387656 1129869270 /nfs/dbraw/zinc/86/92/70/1129869270.db2.gz QPNSZHYRVCAAKO-NWDGAFQWSA-N 0 3 270.332 3.830 20 30 CHEDHN C=CC[C@H](N[C@H](C)c1cnccc1C)c1ccncc1 ZINC000772456600 1130023932 /nfs/dbraw/zinc/02/39/32/1130023932.db2.gz SCCYQGNGTVXQNL-PBHICJAKSA-N 0 3 267.376 3.753 20 30 CHEDHN C[C@@H](NCCCSc1ccccc1)c1cc(C#N)ccn1 ZINC000902725388 1130045387 /nfs/dbraw/zinc/04/53/87/1130045387.db2.gz WMZPACIBLXLJOD-CQSZACIVSA-N 0 3 297.427 3.786 20 30 CHEDHN CC[C@H](NCc1ccc(OC)c(O)c1)c1cccc(C#N)c1 ZINC000902786394 1130057302 /nfs/dbraw/zinc/05/73/02/1130057302.db2.gz NYIRQFACJIVYNQ-INIZCTEOSA-N 0 3 296.370 3.513 20 30 CHEDHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1cc(C#N)ccn1 ZINC000902873057 1130077017 /nfs/dbraw/zinc/07/70/17/1130077017.db2.gz UOZJWAFLRRSRQV-NUTKFTJISA-N 0 3 269.392 3.573 20 30 CHEDHN CC[C@H](NCc1ccc2c(c1)COC2)c1cccc(C#N)c1 ZINC000902881605 1130078093 /nfs/dbraw/zinc/07/80/93/1130078093.db2.gz KSUACEUAERKKFH-IBGZPJMESA-N 0 3 292.382 3.829 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(C(F)(F)F)s1 ZINC000902952416 1130090802 /nfs/dbraw/zinc/09/08/02/1130090802.db2.gz XLTNGUBVGHEFQN-QMMMGPOBSA-N 0 3 262.300 3.721 20 30 CHEDHN CC[C@H](N[C@H](C)c1cnn(CC)c1)c1cccc(C#N)c1 ZINC000903011410 1130100472 /nfs/dbraw/zinc/10/04/72/1130100472.db2.gz DZSSNXVROXFRBT-DYVFJYSZSA-N 0 3 282.391 3.577 20 30 CHEDHN COc1ccc(Cl)c2c1CCC[C@@H]2NCCCC#N ZINC000903147064 1130119766 /nfs/dbraw/zinc/11/97/66/1130119766.db2.gz DJVDBAPZHOKQIW-ZDUSSCGKSA-N 0 3 278.783 3.619 20 30 CHEDHN Cc1sccc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000786936810 1130124234 /nfs/dbraw/zinc/12/42/34/1130124234.db2.gz ZKCGLBPBTRVTDX-LBPRGKRZSA-N 0 3 296.351 3.617 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@H](c1ncccn1)C1CC1 ZINC000903325305 1130155192 /nfs/dbraw/zinc/15/51/92/1130155192.db2.gz TUIYTZQZUSFWTB-HIFRSBDPSA-N 0 3 259.397 3.652 20 30 CHEDHN CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cc(F)ccc1OC ZINC000903371436 1130167992 /nfs/dbraw/zinc/16/79/92/1130167992.db2.gz SMRZNWUFHVOKGC-INWMFGNUSA-N 0 3 290.382 3.957 20 30 CHEDHN COc1ccc(CNCc2cc(C)c(C)cc2C)cc1C#N ZINC000746743481 1130182159 /nfs/dbraw/zinc/18/21/59/1130182159.db2.gz YXNIHCUMYVCZSP-UHFFFAOYSA-N 0 3 294.398 3.782 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@@H](CC)CCCC)n1 ZINC000789330180 1130245469 /nfs/dbraw/zinc/24/54/69/1130245469.db2.gz ZFGVOLIHRBJXBG-INIZCTEOSA-N 0 3 275.440 3.555 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)nc1 ZINC000789519353 1130257882 /nfs/dbraw/zinc/25/78/82/1130257882.db2.gz ZWXQHWGJOKUXTJ-GFCCVEGCSA-N 0 3 285.778 3.652 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccccc2N2CCCCC2)C1 ZINC000826862019 1130298067 /nfs/dbraw/zinc/29/80/67/1130298067.db2.gz RDAKLVQWWWFITR-QGZVFWFLSA-N 0 3 297.446 3.803 20 30 CHEDHN C=C(CN[C@H](C)c1cnc(C)s1)c1ccccc1 ZINC000677754519 1130330185 /nfs/dbraw/zinc/33/01/85/1130330185.db2.gz FLEBEACHSIDBAS-GFCCVEGCSA-N 0 3 258.390 3.816 20 30 CHEDHN C(#Cc1ccccc1)CN(CCc1ccccc1)C1CC1 ZINC000792210027 1130441280 /nfs/dbraw/zinc/44/12/80/1130441280.db2.gz IZGJDHOXJQCCKN-UHFFFAOYSA-N 0 3 275.395 3.745 20 30 CHEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(SCCOC)cc1 ZINC000678765268 1130450742 /nfs/dbraw/zinc/45/07/42/1130450742.db2.gz IQQOTZGYGDNJQR-HUUCEWRRSA-N 0 3 291.460 3.878 20 30 CHEDHN C=C[C@H](C)NCc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000678937599 1130475471 /nfs/dbraw/zinc/47/54/71/1130475471.db2.gz POJCWSQQYCYKLS-HNNXBMFYSA-N 0 3 297.446 3.893 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)Cc1cccc(Br)c1 ZINC001255158268 1130506556 /nfs/dbraw/zinc/50/65/56/1130506556.db2.gz GISGFZMNUTTWDZ-SMDDNHRTSA-N 0 3 295.224 3.662 20 30 CHEDHN CC[C@@H](CC#N)NCC(C)(C)Cc1ccc(F)cc1 ZINC001255161774 1130516573 /nfs/dbraw/zinc/51/65/73/1130516573.db2.gz ACVVMUIBGVHTNY-HNNXBMFYSA-N 0 3 262.372 3.676 20 30 CHEDHN C=CCOCCNCc1cc(-c2ccccc2)ccc1OC ZINC000679486543 1130533228 /nfs/dbraw/zinc/53/32/28/1130533228.db2.gz WVHZDMTWQUKOAX-UHFFFAOYSA-N 0 3 297.398 3.654 20 30 CHEDHN CC(=NNCCCc1ccccc1)c1ccc(N)cc1C ZINC000758120258 1130598423 /nfs/dbraw/zinc/59/84/23/1130598423.db2.gz LQXAQZVXQLKCDH-UHFFFAOYSA-N 0 3 281.403 3.524 20 30 CHEDHN C#C[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1ccc(Cl)cc1 ZINC000811517608 1130615408 /nfs/dbraw/zinc/61/54/08/1130615408.db2.gz XLUFSVMEODUHTB-OWCLPIDISA-N 0 3 259.780 3.793 20 30 CHEDHN CCCCCCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001170689950 1130723662 /nfs/dbraw/zinc/72/36/62/1130723662.db2.gz CYQRSUCUHKJACQ-ROUUACIJSA-N 0 3 293.426 3.757 20 30 CHEDHN CCCCCCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001170689951 1130724258 /nfs/dbraw/zinc/72/42/58/1130724258.db2.gz CYQRSUCUHKJACQ-ZWKOTPCHSA-N 0 3 293.426 3.757 20 30 CHEDHN Cc1ccc([C@H]2CCCN2Cc2ccccc2CC#N)cn1 ZINC001235526956 1130753011 /nfs/dbraw/zinc/75/30/11/1130753011.db2.gz FGFDAVSDFZMNNO-LJQANCHMSA-N 0 3 291.398 3.793 20 30 CHEDHN C#CC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235679662 1130769016 /nfs/dbraw/zinc/76/90/16/1130769016.db2.gz QLSSJIPJGMBVAZ-UHFFFAOYSA-N 0 3 271.404 3.535 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(C(=O)OCC)cn1 ZINC001235870776 1130790855 /nfs/dbraw/zinc/79/08/55/1130790855.db2.gz UKEHYFIMQKKNIW-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc(N)c(F)c1 ZINC001235962514 1130818911 /nfs/dbraw/zinc/81/89/11/1130818911.db2.gz MATNRLSBLSMJDJ-UHFFFAOYSA-N 0 3 270.351 3.596 20 30 CHEDHN C=CCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000783437591 1130824124 /nfs/dbraw/zinc/82/41/24/1130824124.db2.gz ALQVEKCOZMNVJE-KRWDZBQOSA-N 0 3 287.403 3.551 20 30 CHEDHN N#CC(C(=O)C12CCC(CC1)C2)c1ccc2ccccc2n1 ZINC000784820985 1130918965 /nfs/dbraw/zinc/91/89/65/1130918965.db2.gz GNEKYEDKOSJLRC-BTUGKURYSA-N 0 3 290.366 3.991 20 30 CHEDHN CC(C)(C)CCNN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814901273 1130931900 /nfs/dbraw/zinc/93/19/00/1130931900.db2.gz GTXPHVFRGZPURW-GFCCVEGCSA-N 0 3 271.408 3.719 20 30 CHEDHN C=CCN(C[C@H](O)c1cccc2ccccc21)C1CC1 ZINC000815079276 1130955798 /nfs/dbraw/zinc/95/57/98/1130955798.db2.gz PYJBVXLFNPGDBY-SFHVURJKSA-N 0 3 267.372 3.524 20 30 CHEDHN C=CCCCCCCCCN1CCNC[C@H]1C(F)(F)F ZINC001236974875 1131033480 /nfs/dbraw/zinc/03/34/80/1131033480.db2.gz GKYIOWBYNZGURM-AWEZNQCLSA-N 0 3 292.389 3.739 20 30 CHEDHN CCCCCCCN(C)Cc1sc(=O)[nH]c1Cl ZINC001237151075 1131060389 /nfs/dbraw/zinc/06/03/89/1131060389.db2.gz SLCLYUHODPBJRK-UHFFFAOYSA-N 0 3 276.833 3.904 20 30 CHEDHN COc1cc(CN2CCC(S)CC2)ccc1C(F)F ZINC001237273802 1131077600 /nfs/dbraw/zinc/07/76/00/1131077600.db2.gz YFVWILPXYQHUOL-UHFFFAOYSA-N 0 3 287.375 3.527 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC001170836349 1131113676 /nfs/dbraw/zinc/11/36/76/1131113676.db2.gz QQGSCSHFIAVQCL-ROUUACIJSA-N 0 3 298.430 3.565 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC001170836351 1131113748 /nfs/dbraw/zinc/11/37/48/1131113748.db2.gz QQGSCSHFIAVQCL-ZWKOTPCHSA-N 0 3 298.430 3.565 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CCc3ccccc3CC2)c1 ZINC001237758123 1131139114 /nfs/dbraw/zinc/13/91/14/1131139114.db2.gz ZJBUVBZNKQPFIW-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN C=CCN(Cc1cccc(N2CCCCC2)n1)C(C)(C)C ZINC001238003497 1131161177 /nfs/dbraw/zinc/16/11/77/1131161177.db2.gz GGVYSGKUFVDXNZ-UHFFFAOYSA-N 0 3 287.451 3.858 20 30 CHEDHN C=CCO[C@H]1CCN(Cc2cc(C(C)C)ccc2OC)C1 ZINC001118304436 1131218458 /nfs/dbraw/zinc/21/84/58/1131218458.db2.gz IETYUGYSZVYCNU-KRWDZBQOSA-N 0 3 289.419 3.596 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(Cl)s2)c1 ZINC001202811223 1131419538 /nfs/dbraw/zinc/41/95/38/1131419538.db2.gz DPJQUKCOQJWVLU-UHFFFAOYSA-N 0 3 261.777 3.673 20 30 CHEDHN C#CC[C@H]1CCCN([C@H](C)c2nc3ccccc3o2)C1 ZINC000829809820 1131433969 /nfs/dbraw/zinc/43/39/69/1131433969.db2.gz IJOYIYCTROMXOF-KGLIPLIRSA-N 0 3 268.360 3.624 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2sccc2Cl)C1 ZINC000829811084 1131434114 /nfs/dbraw/zinc/43/41/14/1131434114.db2.gz XWFIJPJNPSQXOI-LLVKDONJSA-N 0 3 253.798 3.637 20 30 CHEDHN C=C(Br)CN[C@@H](C)Cc1coc2ccccc12 ZINC000823818774 1131442317 /nfs/dbraw/zinc/44/23/17/1131442317.db2.gz SBFNPFFRAOGQSI-NSHDSACASA-N 0 3 294.192 3.862 20 30 CHEDHN C=C(Cl)CN(CCCC)[C@@H]1CCc2ncsc2C1 ZINC000830811806 1131470137 /nfs/dbraw/zinc/47/01/37/1131470137.db2.gz YUCAXKUAXCZMAK-GFCCVEGCSA-N 0 3 284.856 3.855 20 30 CHEDHN C=CCCCCN(C)Cc1cc(F)ccc1OC ZINC001138376680 1131496542 /nfs/dbraw/zinc/49/65/42/1131496542.db2.gz QYZJDECSVLJZIM-UHFFFAOYSA-N 0 3 251.345 3.622 20 30 CHEDHN C#Cc1cccc(CNCc2cc(C)sc2C)c1 ZINC000825225852 1131502883 /nfs/dbraw/zinc/50/28/83/1131502883.db2.gz AVPWFHGILJWGFG-UHFFFAOYSA-N 0 3 255.386 3.636 20 30 CHEDHN C#CC1CCN(Cc2cc(C)ccc2C(F)(F)F)CC1 ZINC001143681300 1131523736 /nfs/dbraw/zinc/52/37/36/1131523736.db2.gz WTFSRWMMMQZXFO-UHFFFAOYSA-N 0 3 281.321 3.859 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC001138626089 1131528050 /nfs/dbraw/zinc/52/80/50/1131528050.db2.gz ZZYZTQPFPCVUPS-GOEBONIOSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC001138626089 1131528053 /nfs/dbraw/zinc/52/80/53/1131528053.db2.gz ZZYZTQPFPCVUPS-GOEBONIOSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC001138627854 1131528638 /nfs/dbraw/zinc/52/86/38/1131528638.db2.gz HCDCCBSLLDKBOC-YOEHRIQHSA-N 0 3 271.404 3.885 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC001138627854 1131528642 /nfs/dbraw/zinc/52/86/42/1131528642.db2.gz HCDCCBSLLDKBOC-YOEHRIQHSA-N 0 3 271.404 3.885 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCc3ccccc3C2)c1[O-] ZINC001138623876 1131528790 /nfs/dbraw/zinc/52/87/90/1131528790.db2.gz JOWSQOCYCWRZAM-UHFFFAOYSA-N 0 3 279.383 3.679 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCc3ccccc3C2)c1[O-] ZINC001138623876 1131528794 /nfs/dbraw/zinc/52/87/94/1131528794.db2.gz JOWSQOCYCWRZAM-UHFFFAOYSA-N 0 3 279.383 3.679 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC(CF)CC1 ZINC001138665571 1131533759 /nfs/dbraw/zinc/53/37/59/1131533759.db2.gz QTVHJENMFJULNS-UHFFFAOYSA-N 0 3 277.383 3.823 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC(C)(F)CC1 ZINC001138663146 1131534444 /nfs/dbraw/zinc/53/44/44/1131534444.db2.gz OJGLEWAEAFBNLU-UHFFFAOYSA-N 0 3 277.383 3.966 20 30 CHEDHN C=CCCCCN(C)Cc1ccnc(Br)c1 ZINC001138735158 1131543756 /nfs/dbraw/zinc/54/37/56/1131543756.db2.gz SAJOHORIKQALEN-UHFFFAOYSA-N 0 3 283.213 3.632 20 30 CHEDHN CC(C)Oc1cccc(CN2CCC[C@@H](C#N)CC2)c1 ZINC001138986850 1131569116 /nfs/dbraw/zinc/56/91/16/1131569116.db2.gz ZKGAZXYHFDQGNB-OAHLLOKOSA-N 0 3 272.392 3.599 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2cc3ccccc3o2)CC1 ZINC001139065436 1131577708 /nfs/dbraw/zinc/57/77/08/1131577708.db2.gz UTMSBXZUPXCRMR-CYBMUJFWSA-N 0 3 254.333 3.558 20 30 CHEDHN C=CCN(Cc1cc[nH]c1C(=O)OCC)C1CCCCC1 ZINC001144337958 1131620625 /nfs/dbraw/zinc/62/06/25/1131620625.db2.gz RECFTXLGTLRGRL-UHFFFAOYSA-N 0 3 290.407 3.512 20 30 CHEDHN N#Cc1ccc(F)c(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001139650304 1131627069 /nfs/dbraw/zinc/62/70/69/1131627069.db2.gz ZVOVJGSCPPBLHP-GASCZTMLSA-N 0 3 292.357 3.784 20 30 CHEDHN C[C@@]1(F)CCCCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701119 1131630138 /nfs/dbraw/zinc/63/01/38/1131630138.db2.gz AYRVQZJZLUXUCD-QGZVFWFLSA-N 0 3 285.366 3.754 20 30 CHEDHN N#Cc1cccc2c(CN3CCC[C@@H]4CCC[C@H]43)c[nH]c21 ZINC001139706194 1131631524 /nfs/dbraw/zinc/63/15/24/1131631524.db2.gz OBZHUMCBKZDBEZ-SUMWQHHRSA-N 0 3 279.387 3.804 20 30 CHEDHN C=CCn1cc(CN2CCCC[C@@H]2c2ccccc2)cn1 ZINC001139766651 1131635624 /nfs/dbraw/zinc/63/56/24/1131635624.db2.gz SNYOJTPPABEPFP-GOSISDBHSA-N 0 3 281.403 3.796 20 30 CHEDHN C=CCn1cc(CN2CCC[C@@H]2c2cccc(C)c2)cn1 ZINC001139765472 1131635878 /nfs/dbraw/zinc/63/58/78/1131635878.db2.gz DCTLDLHEOKXLCL-GOSISDBHSA-N 0 3 281.403 3.715 20 30 CHEDHN C[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1ccccc1[O-] ZINC001171183020 1131636271 /nfs/dbraw/zinc/63/62/71/1131636271.db2.gz AJCTWEXZUOSXTI-UONOGXRCSA-N 0 3 280.371 3.546 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc(C)nc1 ZINC001139931667 1131650937 /nfs/dbraw/zinc/65/09/37/1131650937.db2.gz SMSAWWOYJQQJPH-UHFFFAOYSA-N 0 3 266.388 3.968 20 30 CHEDHN C#Cc1ccc(CN(C)Cc2cccc(Cl)c2)cc1 ZINC001144573955 1131660749 /nfs/dbraw/zinc/66/07/49/1131660749.db2.gz VTHYWAICGYNSFZ-UHFFFAOYSA-N 0 3 269.775 3.953 20 30 CHEDHN C#Cc1ccc(CN2CCc3cc(C)ccc3C2)cc1 ZINC001144580499 1131661132 /nfs/dbraw/zinc/66/11/32/1131661132.db2.gz DSFHZQFYBPSGST-UHFFFAOYSA-N 0 3 261.368 3.535 20 30 CHEDHN C=CCN1CCC[C@H]1CNC(=O)CCCCCC(C)(C)C ZINC001144685266 1131683978 /nfs/dbraw/zinc/68/39/78/1131683978.db2.gz AUZBVYVNUXPJFO-INIZCTEOSA-N 0 3 294.483 3.750 20 30 CHEDHN CCOc1ccc2[nH]cc(CN3CCC[C@@H](CC#N)C3)c2c1 ZINC001140270226 1131686557 /nfs/dbraw/zinc/68/65/57/1131686557.db2.gz CLPHKHZSRKISRM-AWEZNQCLSA-N 0 3 297.402 3.692 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N(C)Cc1ccccc1F ZINC001171221721 1131706771 /nfs/dbraw/zinc/70/67/71/1131706771.db2.gz TVGSAWRMKJMVPQ-AWEZNQCLSA-N 0 3 282.362 3.760 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000834901772 1131724725 /nfs/dbraw/zinc/72/47/25/1131724725.db2.gz BRJMNNHNBZAXLV-GOSISDBHSA-N 0 3 295.357 3.593 20 30 CHEDHN C#Cc1cccc(CN[C@H](CCC)c2cccnc2)c1 ZINC000834901576 1131724948 /nfs/dbraw/zinc/72/49/48/1131724948.db2.gz AARBGSQYQOJIET-GOSISDBHSA-N 0 3 264.372 3.694 20 30 CHEDHN SC1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140436935 1131737200 /nfs/dbraw/zinc/73/72/00/1131737200.db2.gz VVZVLLAVEOPASD-UHFFFAOYSA-N 0 3 280.824 3.716 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000772959772 1131778097 /nfs/dbraw/zinc/77/80/97/1131778097.db2.gz NMFZOFDPHBKHHN-GJZGRUSLSA-N 0 3 295.386 3.704 20 30 CHEDHN CN(Cc1cc(F)c(C#N)c(F)c1)[C@H]1CCc2ccccc21 ZINC001140755856 1131907786 /nfs/dbraw/zinc/90/77/86/1131907786.db2.gz VVHAWSDSAMIAPK-SFHVURJKSA-N 0 3 298.336 3.956 20 30 CHEDHN C=CCN(C)Cc1ccc(OC(F)(F)F)cc1C ZINC001140963899 1131976348 /nfs/dbraw/zinc/97/63/48/1131976348.db2.gz LKJIEANHHRWZKM-UHFFFAOYSA-N 0 3 259.271 3.511 20 30 CHEDHN C=CC[C@H](Oc1ccc2c(c1)CCN(C)C2)C(C)C ZINC001228943676 1131982876 /nfs/dbraw/zinc/98/28/76/1131982876.db2.gz IFBXEELCXVSVIS-KRWDZBQOSA-N 0 3 259.393 3.654 20 30 CHEDHN CN1CCc2cc(O[C@@H](CC#N)c3ccccc3)ccc2C1 ZINC001228944043 1131984103 /nfs/dbraw/zinc/98/41/03/1131984103.db2.gz KGOGGMBCSQOWCE-IBGZPJMESA-N 0 3 292.382 3.708 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141117970 1132021391 /nfs/dbraw/zinc/02/13/91/1132021391.db2.gz FLTOCSXLTJMKBB-HNNXBMFYSA-N 0 3 294.373 3.733 20 30 CHEDHN C=CCCCCN(C)Cc1cccc(OC)c1F ZINC001141222505 1132047151 /nfs/dbraw/zinc/04/71/51/1132047151.db2.gz FLJAEHBDLLFGND-UHFFFAOYSA-N 0 3 251.345 3.622 20 30 CHEDHN CCCCCCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000839190887 1132189797 /nfs/dbraw/zinc/18/97/97/1132189797.db2.gz KQWJMAAIAGLCFE-KGLIPLIRSA-N 0 3 251.418 3.820 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc2cc(F)ccc2n1 ZINC001141648689 1132224136 /nfs/dbraw/zinc/22/41/36/1132224136.db2.gz APIJPAASMWJBPQ-UHFFFAOYSA-N 0 3 258.340 3.772 20 30 CHEDHN C[C@H](CCCC#N)NCc1coc(-c2ccc(F)cc2)n1 ZINC001172492876 1132246580 /nfs/dbraw/zinc/24/65/80/1132246580.db2.gz PGXWRRJLQUQJOZ-GFCCVEGCSA-N 0 3 287.338 3.653 20 30 CHEDHN C[C@H](CCCC#N)NCc1cc(-c2ccccc2)on1 ZINC001172490179 1132247195 /nfs/dbraw/zinc/24/71/95/1132247195.db2.gz WZODHRFKXPWQLJ-CYBMUJFWSA-N 0 3 269.348 3.514 20 30 CHEDHN C[C@H](CCCC#N)N1CCc2cc(Cl)ccc2C1 ZINC001172500009 1132249635 /nfs/dbraw/zinc/24/96/35/1132249635.db2.gz IECDTMHIEJYLEM-GFCCVEGCSA-N 0 3 262.784 3.780 20 30 CHEDHN CCCCCCC[C@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172501663 1132251184 /nfs/dbraw/zinc/25/11/84/1132251184.db2.gz JGRWZORHOHYBON-HOTGVXAUSA-N 0 3 295.471 3.617 20 30 CHEDHN CCCCCCC[C@@H](CCC)n1cc(CN)c(C)nc1=N ZINC001172508047 1132255383 /nfs/dbraw/zinc/25/53/83/1132255383.db2.gz FLNWZTUCEQFNFL-MRXNPFEDSA-N 0 3 292.471 3.831 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172540894 1132276885 /nfs/dbraw/zinc/27/68/85/1132276885.db2.gz RCDDDQRIYUPXAD-HZPDHXFCSA-N 0 3 254.377 3.606 20 30 CHEDHN CCN(C)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972624 1132280341 /nfs/dbraw/zinc/28/03/41/1132280341.db2.gz OKEVAOQGAPIDTM-UHFFFAOYSA-N 0 3 255.386 3.600 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(Br)cc1OC ZINC001231515109 1132311291 /nfs/dbraw/zinc/31/12/91/1132311291.db2.gz LUZOKWXNXMJQCP-UHFFFAOYSA-N 0 3 298.224 3.856 20 30 CHEDHN Cc1ccc2c(c1)C[C@@H](NC1(CC#N)CCCC1)CC2 ZINC001172839688 1132332590 /nfs/dbraw/zinc/33/25/90/1132332590.db2.gz VPZLTGOKGHYUHB-KRWDZBQOSA-N 0 3 268.404 3.668 20 30 CHEDHN C[C@@H](Cc1c(F)cccc1Cl)NCc1cc(C#N)co1 ZINC001172849229 1132337482 /nfs/dbraw/zinc/33/74/82/1132337482.db2.gz KXEYTJOVDHTCCQ-JTQLQIEISA-N 0 3 292.741 3.665 20 30 CHEDHN C#Cc1cccc(CN(CC=C)Cc2ccccc2)c1 ZINC001231662965 1132338293 /nfs/dbraw/zinc/33/82/93/1132338293.db2.gz MRGLQVNQSBDMSJ-UHFFFAOYSA-N 0 3 261.368 3.856 20 30 CHEDHN N#Cc1ccc(F)c(Nc2ccnc(C3CC3)c2)c1 ZINC001214596270 1132405696 /nfs/dbraw/zinc/40/56/96/1132405696.db2.gz XXELVUGBBBSKAF-UHFFFAOYSA-N 0 3 253.280 3.713 20 30 CHEDHN C=C(C)CN(CC)Cc1ncc(Br)cc1C ZINC001232049638 1132415394 /nfs/dbraw/zinc/41/53/94/1132415394.db2.gz ACHKMJLEJOSESI-UHFFFAOYSA-N 0 3 283.213 3.551 20 30 CHEDHN C[N@H+](Cc1ccc(C#N)c(Cl)c1)Cc1ccccc1[O-] ZINC001232115848 1132425845 /nfs/dbraw/zinc/42/58/45/1132425845.db2.gz CBJYJXCWVUJSKM-UHFFFAOYSA-N 0 3 286.762 3.549 20 30 CHEDHN C[N@@H+](Cc1ccc(C#N)c(Cl)c1)Cc1ccccc1[O-] ZINC001232115848 1132425847 /nfs/dbraw/zinc/42/58/47/1132425847.db2.gz CBJYJXCWVUJSKM-UHFFFAOYSA-N 0 3 286.762 3.549 20 30 CHEDHN CCCCCCCC[C@@H](CCC)n1nncc1CN ZINC001173309725 1132449716 /nfs/dbraw/zinc/44/97/16/1132449716.db2.gz KBAICNLMAKODGU-CQSZACIVSA-N 0 3 266.433 3.829 20 30 CHEDHN CCCCCCCC[C@@H](CCC)n1cc(CN)cnc1=N ZINC001173308905 1132449755 /nfs/dbraw/zinc/44/97/55/1132449755.db2.gz DJIOQJNSGUZNBF-MRXNPFEDSA-N 0 3 292.471 3.913 20 30 CHEDHN CCCCCCCC[C@H](CCC)n1[nH]c(=O)nc1CN ZINC001173310071 1132451314 /nfs/dbraw/zinc/45/13/14/1132451314.db2.gz OUKAQXVMGUZQMW-ZDUSSCGKSA-N 0 3 282.432 3.534 20 30 CHEDHN CCCCCCCC[C@H](CCC)n1[n-]c(=O)nc1C[NH3+] ZINC001173310071 1132451318 /nfs/dbraw/zinc/45/13/18/1132451318.db2.gz OUKAQXVMGUZQMW-ZDUSSCGKSA-N 0 3 282.432 3.534 20 30 CHEDHN COc1c(C)cc(CNCc2ccc(CC#N)cc2)cc1C ZINC000842719885 1132455493 /nfs/dbraw/zinc/45/54/93/1132455493.db2.gz NLIWYXCVZHTWHE-UHFFFAOYSA-N 0 3 294.398 3.668 20 30 CHEDHN C=CCOC1CCC(NCc2c(F)cc(F)cc2F)CC1 ZINC001173313870 1132457675 /nfs/dbraw/zinc/45/76/75/1132457675.db2.gz AQPWIZBMDLBTMT-UHFFFAOYSA-N 0 3 299.336 3.707 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(OC)ccc1OC(C)C ZINC001232391353 1132463710 /nfs/dbraw/zinc/46/37/10/1132463710.db2.gz WUOIKDMRYRVGTI-UHFFFAOYSA-N 0 3 277.408 3.880 20 30 CHEDHN Cc1cc([C@@H]2CCCN2C2CCC(CC#N)CC2)no1 ZINC001173332129 1132464051 /nfs/dbraw/zinc/46/40/51/1132464051.db2.gz WVYMZUQMIWRNAK-XUJLQICISA-N 0 3 273.380 3.592 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cccc(C)c2OC(C)C)C1 ZINC001232395151 1132465748 /nfs/dbraw/zinc/46/57/48/1132465748.db2.gz PPGPWZFYOQNPLW-MRXNPFEDSA-N 0 3 271.404 3.627 20 30 CHEDHN N#CCC1CCC(N2CCC[C@H]2c2nccs2)CC1 ZINC001173337214 1132466377 /nfs/dbraw/zinc/46/63/77/1132466377.db2.gz BMLLCTGOGBZOAO-RUXDESIVSA-N 0 3 275.421 3.752 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccnc2[nH]ccc21 ZINC001142882548 1132470456 /nfs/dbraw/zinc/47/04/56/1132470456.db2.gz QXUOSHJVMDPSQE-UHFFFAOYSA-N 0 3 277.371 3.751 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC001232924587 1132545289 /nfs/dbraw/zinc/54/52/89/1132545289.db2.gz MCDGBUYBZATFFM-UHFFFAOYSA-N 0 3 277.371 3.532 20 30 CHEDHN Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(C#N)c1 ZINC001232967174 1132551741 /nfs/dbraw/zinc/55/17/41/1132551741.db2.gz GCYJGUNFLYKJJQ-WMLDXEAASA-N 0 3 254.377 3.631 20 30 CHEDHN COc1ccc(C#N)cc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC000130409792 1132554484 /nfs/dbraw/zinc/55/44/84/1132554484.db2.gz GGFPBTPCBCIUGH-HZPDHXFCSA-N 0 3 284.403 3.579 20 30 CHEDHN C=CCCCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC001233290785 1132597057 /nfs/dbraw/zinc/59/70/57/1132597057.db2.gz WARKLXSWIITXMM-UHFFFAOYSA-N 0 3 283.799 3.842 20 30 CHEDHN C=CCCCC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC001233290785 1132597063 /nfs/dbraw/zinc/59/70/63/1132597063.db2.gz WARKLXSWIITXMM-UHFFFAOYSA-N 0 3 283.799 3.842 20 30 CHEDHN CC(C)(C#N)CNC1CC(c2ccc(Cl)cc2)C1 ZINC000168938200 1132711533 /nfs/dbraw/zinc/71/15/33/1132711533.db2.gz QFSOMNZOMXSXGL-UHFFFAOYSA-N 0 3 262.784 3.725 20 30 CHEDHN N#CCCCCNc1nc(N2CCCC2)cc2ccccc21 ZINC001157641800 1132736251 /nfs/dbraw/zinc/73/62/51/1132736251.db2.gz HKGVERIFMCXVEV-UHFFFAOYSA-N 0 3 294.402 3.941 20 30 CHEDHN N#Cc1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1 ZINC001174397124 1132812265 /nfs/dbraw/zinc/81/22/65/1132812265.db2.gz OXHCLWBRSYMLAW-UHFFFAOYSA-N 0 3 289.382 3.760 20 30 CHEDHN Cc1cnccc1Nc1ccc(C2(C#N)CCCC2)cc1 ZINC001174539457 1132900517 /nfs/dbraw/zinc/90/05/17/1132900517.db2.gz GKNZVJUORCDMKM-UHFFFAOYSA-N 0 3 277.371 3.891 20 30 CHEDHN C=CCOc1ccccc1[C@@H](C)Nc1cccc(N(C)C)n1 ZINC001160178078 1132942907 /nfs/dbraw/zinc/94/29/07/1132942907.db2.gz BRPRBYNOMHAAGT-CQSZACIVSA-N 0 3 297.402 3.886 20 30 CHEDHN Cc1ccccc1CNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001161624391 1133011859 /nfs/dbraw/zinc/01/18/59/1133011859.db2.gz ZAFBGPXBEUPSJL-FYJGNVAPSA-N 0 3 292.386 3.700 20 30 CHEDHN CCCCCCCN(C)Cc1[nH]c(CC)nc1C ZINC001203240166 1133307189 /nfs/dbraw/zinc/30/71/89/1133307189.db2.gz CAHGYDRKUZFGJZ-UHFFFAOYSA-N 0 3 251.418 3.683 20 30 CHEDHN N#Cc1cccc(C2CCN(Cc3ccco3)CC2)c1 ZINC001203278492 1133310577 /nfs/dbraw/zinc/31/05/77/1133310577.db2.gz SCAJLHINNPLQSN-UHFFFAOYSA-N 0 3 266.344 3.531 20 30 CHEDHN C=CCOc1ccc(CN2CC(c3ccccc3)C2)cc1 ZINC001204303608 1133432875 /nfs/dbraw/zinc/43/28/75/1133432875.db2.gz LHIAYPSESFJGFX-UHFFFAOYSA-N 0 3 279.383 3.851 20 30 CHEDHN CC(C)(C)[NH2+]Cc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001204700643 1133477678 /nfs/dbraw/zinc/47/76/78/1133477678.db2.gz WYWKWVAQTWFFJC-UHFFFAOYSA-N 0 3 295.386 3.896 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(OC)cc1F ZINC001204934002 1133503083 /nfs/dbraw/zinc/50/30/83/1133503083.db2.gz LSWCCPXVSVCBDJ-UHFFFAOYSA-N 0 3 251.345 3.622 20 30 CHEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CCCC2)C12CCCCC2 ZINC001206517589 1133713017 /nfs/dbraw/zinc/71/30/17/1133713017.db2.gz XDVAGHWKGWTHIC-CVEARBPZSA-N 0 3 290.451 3.788 20 30 CHEDHN Cc1cccc2c1CN(CCCc1ccc(C#N)cc1)C2 ZINC001208856695 1133953531 /nfs/dbraw/zinc/95/35/31/1133953531.db2.gz QKIOSFFIOHYCCQ-UHFFFAOYSA-N 0 3 276.383 3.815 20 30 CHEDHN C=CCCCCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001209208371 1133989539 /nfs/dbraw/zinc/98/95/39/1133989539.db2.gz SPUMLXLHNIQVSR-DOTOQJQBSA-N 0 3 259.393 3.805 20 30 CHEDHN C=CCCCCCCCN1CCN(c2ccccn2)CC1 ZINC001209438134 1134021093 /nfs/dbraw/zinc/02/10/93/1134021093.db2.gz HCRDKYTUWZFCPF-UHFFFAOYSA-N 0 3 287.451 3.730 20 30 CHEDHN C=CCCCCCCCN1CCC(=O)[C@H](C)CC1 ZINC001209437976 1134021114 /nfs/dbraw/zinc/02/11/14/1134021114.db2.gz ASXMWJPPXIRNTA-OAHLLOKOSA-N 0 3 251.414 3.814 20 30 CHEDHN C=CCN(Cc1cn2cccc(C)c2n1)C1CCCCC1 ZINC001209742550 1134058741 /nfs/dbraw/zinc/05/87/41/1134058741.db2.gz XMHCTMNYQZLBJL-UHFFFAOYSA-N 0 3 283.419 3.963 20 30 CHEDHN Cc1nc2ccc(Nc3cc(C)ccc3C#N)cc2[nH]1 ZINC001213073291 1134421833 /nfs/dbraw/zinc/42/18/33/1134421833.db2.gz LVLGYGGXXVJCMR-UHFFFAOYSA-N 0 3 262.316 3.795 20 30 CHEDHN C[C@@H](CCOCc1ccccc1)NCC1(C#N)CCCC1 ZINC000405181873 1134961278 /nfs/dbraw/zinc/96/12/78/1134961278.db2.gz YNCIOLSXIPFWDK-INIZCTEOSA-N 0 3 286.419 3.655 20 30 CHEDHN C=C[C@@H](CCCCCCC)OC[C@H]1COC(C)(C)N1 ZINC001217884480 1135016660 /nfs/dbraw/zinc/01/66/60/1135016660.db2.gz OAZUFHANLGEOCU-GJZGRUSLSA-N 0 3 269.429 3.643 20 30 CHEDHN C#C[C@@H](Oc1cccc2c1CNC2)[C@H](CC)CCCC ZINC001218291726 1135080139 /nfs/dbraw/zinc/08/01/39/1135080139.db2.gz LETMNZWXHMZSOL-RHSMWYFYSA-N 0 3 271.404 3.887 20 30 CHEDHN C=C(C)CCCO[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001224281063 1135434877 /nfs/dbraw/zinc/43/48/77/1135434877.db2.gz GMHFTCOMFWSWJU-HZPDHXFCSA-N 0 3 274.408 3.590 20 30 CHEDHN C=C(C)CCCO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224280825 1135435304 /nfs/dbraw/zinc/43/53/04/1135435304.db2.gz DGYNJGIUWWKCQE-DLBZAZTESA-N 0 3 288.435 3.980 20 30 CHEDHN CCc1cnccc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000344296368 529678839 /nfs/dbraw/zinc/67/88/39/529678839.db2.gz LVHLHKFXZHIOPE-ZIAGYGMSSA-N 0 3 279.387 3.927 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1CCC(C)(C)C1 ZINC000347323269 529976207 /nfs/dbraw/zinc/97/62/07/529976207.db2.gz DNRFKKCGEMTHGG-CQSZACIVSA-N 0 3 260.356 3.708 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2occc2c1 ZINC000347589747 529983835 /nfs/dbraw/zinc/98/38/35/529983835.db2.gz NZKQTWYNKFOXDK-UHFFFAOYSA-N 0 3 276.339 3.936 20 30 CHEDHN C=CCOc1ccc(CN[C@@H]2CCc3cc(N)ccc32)cc1 ZINC000574465190 335022337 /nfs/dbraw/zinc/02/23/37/335022337.db2.gz FOAWBLREUKDFOZ-LJQANCHMSA-N 0 3 294.398 3.611 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000347082000 533107538 /nfs/dbraw/zinc/10/75/38/533107538.db2.gz XLGCPJIDYRFYDH-VIFPVBQESA-N 0 3 297.185 3.644 20 30 CHEDHN C[C@H](N[C@H](c1cccnc1)C1CC1)c1cccc(C#N)c1 ZINC000344340160 225035912 /nfs/dbraw/zinc/03/59/12/225035912.db2.gz XUTSNPZURRYRBD-UGSOOPFHSA-N 0 3 277.371 3.755 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000334935586 225369222 /nfs/dbraw/zinc/36/92/22/225369222.db2.gz NFTRNZGNOWUREN-KRWDZBQOSA-N 0 3 293.395 3.659 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000336484897 227057257 /nfs/dbraw/zinc/05/72/57/227057257.db2.gz BYBQHVYCIOUKIQ-IBGZPJMESA-N 0 3 287.366 3.597 20 30 CHEDHN CN(C/C=C\c1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000575218182 335082947 /nfs/dbraw/zinc/08/29/47/335082947.db2.gz UNQYXZMVALYDBM-UTCJRWHESA-N 0 3 298.336 3.982 20 30 CHEDHN C[C@H]1CCN(Cc2cc(C#N)cs2)CC12CCC2 ZINC000354916682 227231264 /nfs/dbraw/zinc/23/12/64/227231264.db2.gz HWJGIJBDXFRZQD-LBPRGKRZSA-N 0 3 260.406 3.632 20 30 CHEDHN CCOc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353410268 228098654 /nfs/dbraw/zinc/09/86/54/228098654.db2.gz GUEZFXZBURSIJE-IBGZPJMESA-N 0 3 292.382 3.734 20 30 CHEDHN CC(C#N)C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000335987673 228175226 /nfs/dbraw/zinc/17/52/26/228175226.db2.gz QDUGZINOSYMBNE-VRZZLATASA-N 0 3 288.416 3.692 20 30 CHEDHN N#C[C@@H]1CC[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000336170632 228202888 /nfs/dbraw/zinc/20/28/88/228202888.db2.gz TYWFHMLYJAXFKC-WKKGQRCESA-N 0 3 292.785 3.949 20 30 CHEDHN C[C@H](NCc1cccc(F)c1)c1cccc(C#N)c1 ZINC000037246989 260078484 /nfs/dbraw/zinc/07/84/84/260078484.db2.gz JJRZLRBEIYUAQH-LBPRGKRZSA-N 0 3 254.308 3.548 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)[C@@H](C)C2 ZINC000180145828 260094537 /nfs/dbraw/zinc/09/45/37/260094537.db2.gz FXCHZGXAWLHKIK-IFXJQAMLSA-N 0 3 276.383 3.890 20 30 CHEDHN COc1cccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000037508462 260113720 /nfs/dbraw/zinc/11/37/20/260113720.db2.gz YRAZXQKZQBSNBK-KBPBESRZSA-N 0 3 280.371 3.979 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Br)s1 ZINC000309839331 260194052 /nfs/dbraw/zinc/19/40/52/260194052.db2.gz CJDDFKAHRFDPLT-BBBLOLIVSA-N 0 3 299.237 3.853 20 30 CHEDHN CCN(Cc1cccs1)Cc1ccc(OC)c(C#N)c1 ZINC000087833236 260219460 /nfs/dbraw/zinc/21/94/60/260219460.db2.gz PNYSPGOTECFXPC-UHFFFAOYSA-N 0 3 286.400 3.650 20 30 CHEDHN C=C(C)CCNCc1csc(-c2cccs2)n1 ZINC000449473314 260630878 /nfs/dbraw/zinc/63/08/78/260630878.db2.gz HPSYMRQYLWGUJY-UHFFFAOYSA-N 0 3 264.419 3.927 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3sccc32)s1 ZINC000157909463 261155347 /nfs/dbraw/zinc/15/53/47/261155347.db2.gz JPHPXADZJSLWGQ-CYBMUJFWSA-N 0 3 274.414 3.848 20 30 CHEDHN CC[C@@H](c1ccccc1)N(CC)Cc1cc(C#N)n(C)c1 ZINC000361509474 261307185 /nfs/dbraw/zinc/30/71/85/261307185.db2.gz VCUUGNYQYNHQRD-SFHVURJKSA-N 0 3 281.403 3.870 20 30 CHEDHN CCc1ccc(CNCc2ccc(C#N)s2)s1 ZINC000176947923 261321909 /nfs/dbraw/zinc/32/19/09/261321909.db2.gz VXZYPTBHSOHFGV-UHFFFAOYSA-N 0 3 262.403 3.533 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000185757315 262069072 /nfs/dbraw/zinc/06/90/72/262069072.db2.gz QCMWYVBHDXIUOQ-RISCZKNCSA-N 0 3 282.309 3.877 20 30 CHEDHN COc1ccc(F)cc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000185784003 262070669 /nfs/dbraw/zinc/07/06/69/262070669.db2.gz FIWLADCLMTYART-OBJOEFQTSA-N 0 3 276.355 3.567 20 30 CHEDHN COc1ccc(F)cc1[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000185783985 262070805 /nfs/dbraw/zinc/07/08/05/262070805.db2.gz FIWLADCLMTYART-MBNYWOFBSA-N 0 3 276.355 3.567 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Br)cc2)C1 ZINC000185799816 262072140 /nfs/dbraw/zinc/07/21/40/262072140.db2.gz LOBDTWMQQPJCTK-TZMCWYRMSA-N 0 3 293.208 3.621 20 30 CHEDHN CCC[C@H](NCc1ccc(OCC#N)cc1)c1cccnc1 ZINC000185986072 262074074 /nfs/dbraw/zinc/07/40/74/262074074.db2.gz UQAJLHFVJQJCHU-SFHVURJKSA-N 0 3 295.386 3.615 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000191497856 262192655 /nfs/dbraw/zinc/19/26/55/262192655.db2.gz BHNVKYFOKFUDQV-FZMZJTMJSA-N 0 3 295.224 3.662 20 30 CHEDHN C=CC[C@@H](CC)NCc1ccc(OC)cc1Br ZINC000393815172 262202165 /nfs/dbraw/zinc/20/21/65/262202165.db2.gz WEOODBVXCCHOGY-GFCCVEGCSA-N 0 3 298.224 3.902 20 30 CHEDHN N#CCOc1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000061360055 262394747 /nfs/dbraw/zinc/39/47/47/262394747.db2.gz GDJCTKGLMYIOMO-MRXNPFEDSA-N 0 3 298.411 3.818 20 30 CHEDHN N#CCCCCNCc1ccc(CSC(F)F)o1 ZINC000237926546 262641596 /nfs/dbraw/zinc/64/15/96/262641596.db2.gz UGGZHPUODKIECK-UHFFFAOYSA-N 0 3 274.336 3.519 20 30 CHEDHN C[C@@H](NCCC(C)(C)C#N)c1cccc(N2CCCC2)c1 ZINC000272025050 263001563 /nfs/dbraw/zinc/00/15/63/263001563.db2.gz NQUQUEBQCCSUSO-OAHLLOKOSA-N 0 3 285.435 3.877 20 30 CHEDHN C/C(=C\c1ccccc1)CN1CCC(C)(C#N)CC1 ZINC000272488029 263005259 /nfs/dbraw/zinc/00/52/59/263005259.db2.gz DJKHJGFUWBCHRS-NTCAYCPXSA-N 0 3 254.377 3.716 20 30 CHEDHN CC1(C#N)CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000272535961 263005875 /nfs/dbraw/zinc/00/58/75/263005875.db2.gz IYKIABIMYAHFEU-MRXNPFEDSA-N 0 3 272.367 3.829 20 30 CHEDHN Cc1nc(C(C)(C)C)sc1[C@@H](C)NCCCC#N ZINC000273187600 263013628 /nfs/dbraw/zinc/01/36/28/263013628.db2.gz GDASRVJQPWRVKV-SNVBAGLBSA-N 0 3 265.426 3.703 20 30 CHEDHN C[C@H](NCCCC#N)c1cccc(-c2ccncc2)c1 ZINC000273268768 263014593 /nfs/dbraw/zinc/01/45/93/263014593.db2.gz OFXZTCFKYIPOLK-AWEZNQCLSA-N 0 3 265.360 3.703 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(-c2ccccc2)o1 ZINC000273282761 263014747 /nfs/dbraw/zinc/01/47/47/263014747.db2.gz QPYAFPQNZZFNMW-ZDUSSCGKSA-N 0 3 254.333 3.901 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(OC(C)(C)C)cc1 ZINC000274325261 263023094 /nfs/dbraw/zinc/02/30/94/263023094.db2.gz YJJDXTKKFVVGCS-CYBMUJFWSA-N 0 3 260.381 3.818 20 30 CHEDHN C[C@H](NCCCCC#N)c1nc(C(F)(F)F)cs1 ZINC000274557312 263026159 /nfs/dbraw/zinc/02/61/59/263026159.db2.gz FJKTVEPEFWLIJA-QMMMGPOBSA-N 0 3 277.315 3.506 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OC(F)F ZINC000274628846 263028027 /nfs/dbraw/zinc/02/80/27/263028027.db2.gz OGXDWIIEYJWLEO-SDDRHHMPSA-N 0 3 280.318 3.631 20 30 CHEDHN C[C@H](CCC#N)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000276273890 263035792 /nfs/dbraw/zinc/03/57/92/263035792.db2.gz DMYMAJFMMPRSBG-WBMJQRKESA-N 0 3 260.356 3.949 20 30 CHEDHN CC[C@@H](N[C@@H](C)CCC#N)c1ccc(F)cc1F ZINC000278526717 263048686 /nfs/dbraw/zinc/04/86/86/263048686.db2.gz DHRDMDSUYLJFBQ-IINYFYTJSA-N 0 3 252.308 3.698 20 30 CHEDHN CCN(Cc1ccc(Cl)s1)[C@H]1CC[C@H](C#N)C1 ZINC000278578709 263049203 /nfs/dbraw/zinc/04/92/03/263049203.db2.gz JWSWCJCPMQYSFN-QWRGUYRKSA-N 0 3 268.813 3.916 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2coc3ccccc23)C1 ZINC000278780754 263050937 /nfs/dbraw/zinc/05/09/37/263050937.db2.gz PSVQOHYCORINKA-TZMCWYRMSA-N 0 3 254.333 3.605 20 30 CHEDHN COC[C@@H](NCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000278882539 263051547 /nfs/dbraw/zinc/05/15/47/263051547.db2.gz PHYPHVJNULVUEV-CQSZACIVSA-N 0 3 280.799 3.557 20 30 CHEDHN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000279673427 263056557 /nfs/dbraw/zinc/05/65/57/263056557.db2.gz GDRJZSLGOBRAEN-KHYOSLBOSA-N 0 3 294.398 3.985 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281102245 263066552 /nfs/dbraw/zinc/06/65/52/263066552.db2.gz AMZXCALENONYJX-BXUZGUMPSA-N 0 3 284.325 3.918 20 30 CHEDHN CSCc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000285567764 263094202 /nfs/dbraw/zinc/09/42/02/263094202.db2.gz GKGNGEVDQUUALX-JKSUJKDBSA-N 0 3 274.433 3.722 20 30 CHEDHN C[C@@H](NCC(C)(C)CCC#N)c1nccn1-c1ccccc1 ZINC000287303066 263101582 /nfs/dbraw/zinc/10/15/82/263101582.db2.gz SVVZLYTZOUONQX-OAHLLOKOSA-N 0 3 296.418 3.853 20 30 CHEDHN COC[C@@H](NCCC(C)(C)C#N)c1cccc(Cl)c1 ZINC000288838673 263106134 /nfs/dbraw/zinc/10/61/34/263106134.db2.gz OKTXYXRZXULNBT-CQSZACIVSA-N 0 3 280.799 3.557 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(C2CC2)c1 ZINC000340378571 263121449 /nfs/dbraw/zinc/12/14/49/263121449.db2.gz ZPCRMMWBJQKJDL-ZDUSSCGKSA-N 0 3 254.377 3.908 20 30 CHEDHN COc1cccc(C=C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000292735811 263134494 /nfs/dbraw/zinc/13/44/94/263134494.db2.gz GYRBOBBVBYTMSZ-QZTJIDSGSA-N 0 3 296.414 3.867 20 30 CHEDHN C[C@@H]1C[C@@H]1[C@@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000294768383 263167500 /nfs/dbraw/zinc/16/75/00/263167500.db2.gz YYNWTQAKNOWCRS-KCXAZCMYSA-N 0 3 292.810 3.557 20 30 CHEDHN CC(C)(C)c1nc(CN[C@H]2CC[C@@H](CC#N)C2)cs1 ZINC000294920784 263169555 /nfs/dbraw/zinc/16/95/55/263169555.db2.gz AVMGZEHDEROGPV-RYUDHWBXSA-N 0 3 277.437 3.613 20 30 CHEDHN CN(CCS[C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000295126327 263172653 /nfs/dbraw/zinc/17/26/53/263172653.db2.gz BRGPFSGYGKMAJM-CVEARBPZSA-N 0 3 274.433 3.544 20 30 CHEDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c([O-])c1 ZINC000296618416 263194364 /nfs/dbraw/zinc/19/43/64/263194364.db2.gz WRPCZSJUOXFJAI-ILXRZTDVSA-N 0 3 272.392 3.742 20 30 CHEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(OC(F)F)c1 ZINC000299697106 263252293 /nfs/dbraw/zinc/25/22/93/263252293.db2.gz OMAWZGUQHIVUQO-WDEREUQCSA-N 0 3 268.307 3.631 20 30 CHEDHN C=CCC[C@H](NCC1([C@@H](O)C(C)C)CC1)c1ccco1 ZINC000353614392 263267348 /nfs/dbraw/zinc/26/73/48/263267348.db2.gz SOVHXAHDEDOUFI-HOCLYGCPSA-N 0 3 277.408 3.674 20 30 CHEDHN CC(C)SCCNCc1cccc(OCCCC#N)c1 ZINC000342075092 263385101 /nfs/dbraw/zinc/38/51/01/263385101.db2.gz PVZGVYGUQIDQLS-UHFFFAOYSA-N 0 3 292.448 3.600 20 30 CHEDHN C[C@@H]1CC[C@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000331114862 264128584 /nfs/dbraw/zinc/12/85/84/264128584.db2.gz KFRMPYJHRCSTDR-GUYJKWIASA-N 0 3 285.391 3.549 20 30 CHEDHN CC1CCC(C)(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000331209848 264162784 /nfs/dbraw/zinc/16/27/84/264162784.db2.gz XAOKXDCCTSFSBU-RMXPPQQLSA-N 0 3 298.430 3.844 20 30 CHEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000189583154 264310063 /nfs/dbraw/zinc/31/00/63/264310063.db2.gz UPZLTEDRVRXZTP-INIZCTEOSA-N 0 3 287.794 3.791 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccc(Cl)s1 ZINC000130488740 264352249 /nfs/dbraw/zinc/35/22/49/264352249.db2.gz JZUKXPSIFFJKGQ-SNVBAGLBSA-N 0 3 259.802 3.645 20 30 CHEDHN C=CCC[C@@H](NCC[C@@H]1CCCCO1)c1ccco1 ZINC000285996830 264572881 /nfs/dbraw/zinc/57/28/81/264572881.db2.gz HHTORYWGUJNJCW-LSDHHAIUSA-N 0 3 263.381 3.836 20 30 CHEDHN C=CCC[C@@H](NCCc1ccccc1O)c1ccco1 ZINC000286041489 264573843 /nfs/dbraw/zinc/57/38/43/264573843.db2.gz KOTCCFRCYKGXGW-OAHLLOKOSA-N 0 3 271.360 3.825 20 30 CHEDHN C=C(C)[C@@H](NCCC1CCOCC1)c1ccc(F)c(F)c1 ZINC000292944445 264902494 /nfs/dbraw/zinc/90/24/94/264902494.db2.gz NRCZAEOATOQRNA-QGZVFWFLSA-N 0 3 295.373 3.988 20 30 CHEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCCC1 ZINC000424995176 265001009 /nfs/dbraw/zinc/00/10/09/265001009.db2.gz KCVCHSDXTKUQBN-MAUKXSAKSA-N 0 3 298.430 3.844 20 30 CHEDHN Cc1sccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000294328963 265011626 /nfs/dbraw/zinc/01/16/26/265011626.db2.gz YLZVKALQIICMOD-LLVKDONJSA-N 0 3 256.374 3.779 20 30 CHEDHN C=CCCC[C@H](C)N1CCN(c2cccs2)CC1 ZINC000519013002 265296556 /nfs/dbraw/zinc/29/65/56/265296556.db2.gz IRNVRJPIPXUNCP-AWEZNQCLSA-N 0 3 264.438 3.615 20 30 CHEDHN C=CCSCCN[C@H](COC)c1cccc(Cl)c1 ZINC000353256969 266036375 /nfs/dbraw/zinc/03/63/75/266036375.db2.gz ATSSWQMXNACXFI-CQSZACIVSA-N 0 3 285.840 3.536 20 30 CHEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CC1(C)C ZINC000356402724 266107584 /nfs/dbraw/zinc/10/75/84/266107584.db2.gz ZFGPLTKYLBYCIL-ZDUSSCGKSA-N 0 3 282.309 3.807 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000357745318 266354457 /nfs/dbraw/zinc/35/44/57/266354457.db2.gz OOYPFPSUSANPFA-HUUCEWRRSA-N 0 3 281.403 3.821 20 30 CHEDHN C[C@@H](N[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367800389 267118863 /nfs/dbraw/zinc/11/88/63/267118863.db2.gz JBDWPZXPQPNRMP-KUHUBIRLSA-N 0 3 292.382 3.665 20 30 CHEDHN C#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000368030955 267138881 /nfs/dbraw/zinc/13/88/81/267138881.db2.gz QSVWEFIDVYVBQL-UXHICEINSA-N 0 3 291.394 3.535 20 30 CHEDHN C=C(C)CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000368443377 267172313 /nfs/dbraw/zinc/17/23/13/267172313.db2.gz WRLPYWMSPMWCHO-LBPRGKRZSA-N 0 3 274.339 3.722 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@H](c1cnn(C)c1)c1ccccc1 ZINC000369911782 267276269 /nfs/dbraw/zinc/27/62/69/267276269.db2.gz YXSZWLZSUJBPSM-DAYGRLMNSA-N 0 3 283.419 3.700 20 30 CHEDHN C=C(C)CN[C@@H](CC)c1ccccc1OC(F)F ZINC000119518313 267343647 /nfs/dbraw/zinc/34/36/47/267343647.db2.gz KCTSGAALYOQJLO-LBPRGKRZSA-N 0 3 255.308 3.905 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC/C=C/c1ccncc1 ZINC000418138330 267360592 /nfs/dbraw/zinc/36/05/92/267360592.db2.gz CQNHUDXUJBEFLR-LSTKMXGYSA-N 0 3 289.382 3.634 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC/C=C\c1ccncc1 ZINC000418138328 267360938 /nfs/dbraw/zinc/36/09/38/267360938.db2.gz CQNHUDXUJBEFLR-AXMVSILFSA-N 0 3 289.382 3.634 20 30 CHEDHN CCc1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418144172 267365805 /nfs/dbraw/zinc/36/58/05/267365805.db2.gz JVLXYXGLFMCPKH-INIZCTEOSA-N 0 3 297.427 3.744 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3cc(F)ccc32)s1 ZINC000122345918 267836645 /nfs/dbraw/zinc/83/66/45/267836645.db2.gz YJSUXBMJMSGVJR-INIZCTEOSA-N 0 3 286.375 3.926 20 30 CHEDHN Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(CN(C)C)c1 ZINC000185747498 327844067 /nfs/dbraw/zinc/84/40/67/327844067.db2.gz XAFWFUJGCVEVHY-GOEBONIOSA-N 0 3 271.408 3.551 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(OCC(F)F)c2)C1 ZINC000185822981 327846741 /nfs/dbraw/zinc/84/67/41/327846741.db2.gz KXKRLNWKPVUCPV-TZMCWYRMSA-N 0 3 294.345 3.502 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@@H]2CCCC[C@@H]21 ZINC000541107059 328047062 /nfs/dbraw/zinc/04/70/62/328047062.db2.gz LMRMPFAYMTZYLW-SRCQZFHVSA-N 0 3 272.367 3.708 20 30 CHEDHN CCC(CC)CN(CC)Cc1cc(C#N)ccc1F ZINC000048335125 328053053 /nfs/dbraw/zinc/05/30/53/328053053.db2.gz BVWYVXQAPYWYMC-UHFFFAOYSA-N 0 3 262.372 3.955 20 30 CHEDHN C=CCOc1ccc(CNCCOCC(=C)C)cc1Cl ZINC000531883839 328114553 /nfs/dbraw/zinc/11/45/53/328114553.db2.gz QRFCEWWENKVETC-UHFFFAOYSA-N 0 3 295.810 3.587 20 30 CHEDHN C[C@H](NCCCCC#N)c1nc2ccccc2n1C(F)F ZINC000264169408 328158388 /nfs/dbraw/zinc/15/83/88/328158388.db2.gz YNUUMUPEVZKDFF-NSHDSACASA-N 0 3 292.333 3.776 20 30 CHEDHN COCC1(CCN[C@H](C)c2ccc(C#N)cc2Cl)CC1 ZINC000571642049 328168104 /nfs/dbraw/zinc/16/81/04/328168104.db2.gz YVEYZNWPMZEBFH-GFCCVEGCSA-N 0 3 292.810 3.679 20 30 CHEDHN Cc1cc(CNc2ccc(CN(C)C)cc2F)ccc1C#N ZINC000414493143 328187872 /nfs/dbraw/zinc/18/78/72/328187872.db2.gz BMIRIRJHRKRHRM-UHFFFAOYSA-N 0 3 297.377 3.680 20 30 CHEDHN COCCN(CCCCC(C)(C)C#N)Cc1ccc(C)o1 ZINC000277739673 328222177 /nfs/dbraw/zinc/22/21/77/328222177.db2.gz OSIUBKKGIQAJLD-UHFFFAOYSA-N 0 3 292.423 3.757 20 30 CHEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000278837127 328230938 /nfs/dbraw/zinc/23/09/38/328230938.db2.gz UMYIWDGPDVROMJ-CLROSIBMSA-N 0 3 290.382 3.574 20 30 CHEDHN COc1cccc2c1CCN(CCCCC(C)(C)C#N)C2 ZINC000278856618 328231207 /nfs/dbraw/zinc/23/12/07/328231207.db2.gz RTODOZFUSSKZLE-UHFFFAOYSA-N 0 3 286.419 3.773 20 30 CHEDHN COc1cc(CNC2(c3ccccc3)CCC2)ccc1C#N ZINC000281619456 328240742 /nfs/dbraw/zinc/24/07/42/328240742.db2.gz HGLYPMHAYIONTN-UHFFFAOYSA-N 0 3 292.382 3.736 20 30 CHEDHN CSc1ccccc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000282235917 328241868 /nfs/dbraw/zinc/24/18/68/328241868.db2.gz ITKNOARTNQZQOF-AVGNSLFASA-N 0 3 260.406 3.751 20 30 CHEDHN C=CCOc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1Cl ZINC000582927818 329286231 /nfs/dbraw/zinc/28/62/31/329286231.db2.gz YBYOBZOKSPGAGS-JQWIXIFHSA-N 0 3 287.737 3.648 20 30 CHEDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)CCC#N ZINC000298626412 328296892 /nfs/dbraw/zinc/29/68/92/328296892.db2.gz VKSUUGVSWNYPMU-CQSZACIVSA-N 0 3 260.381 3.687 20 30 CHEDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)CCC#N ZINC000298626412 328296893 /nfs/dbraw/zinc/29/68/93/328296893.db2.gz VKSUUGVSWNYPMU-CQSZACIVSA-N 0 3 260.381 3.687 20 30 CHEDHN COc1ccc2cc(CN(C)[C@@H](C)CCC#N)ccc2c1 ZINC000297713629 328294236 /nfs/dbraw/zinc/29/42/36/328294236.db2.gz BLUPQRKWHWBTDN-AWEZNQCLSA-N 0 3 282.387 3.972 20 30 CHEDHN COc1ccc2cc(CN(C)[C@H](C)CCC#N)ccc2c1 ZINC000297713635 328294325 /nfs/dbraw/zinc/29/43/25/328294325.db2.gz BLUPQRKWHWBTDN-CQSZACIVSA-N 0 3 282.387 3.972 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)o2)[C@H]2CCCC[C@@H]12 ZINC000535072791 328384106 /nfs/dbraw/zinc/38/41/06/328384106.db2.gz OVKVMZJSZVZDMH-KCXAZCMYSA-N 0 3 258.365 3.552 20 30 CHEDHN C[C@H](NCCCC(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000342301165 328418225 /nfs/dbraw/zinc/41/82/25/328418225.db2.gz ZGTHVJLXSPWMQW-LBPRGKRZSA-N 0 3 275.352 3.575 20 30 CHEDHN C=CC[C@@H](CO)CN[C@H](C)c1oc2ccccc2c1CC ZINC000563721323 328495735 /nfs/dbraw/zinc/49/57/35/328495735.db2.gz DJNOYEHKFVFVDC-ZIAGYGMSSA-N 0 3 287.403 3.830 20 30 CHEDHN CN(C)[C@H](CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000530857683 326894236 /nfs/dbraw/zinc/89/42/36/326894236.db2.gz ZNHVFYJXZGYTNC-QGZVFWFLSA-N 0 3 299.805 3.926 20 30 CHEDHN C=CCC(C)(C)CNCc1nc2ccc(Cl)cc2n1C ZINC000584066704 326914701 /nfs/dbraw/zinc/91/47/01/326914701.db2.gz GYFVRCOFSQLDML-UHFFFAOYSA-N 0 3 291.826 3.919 20 30 CHEDHN C=CCC[C@@H](NC[C@@H]1CCCCN1C1CC1)c1ccco1 ZINC000556878360 326976911 /nfs/dbraw/zinc/97/69/11/326976911.db2.gz MOIHNJSQFQVWFS-DLBZAZTESA-N 0 3 288.435 3.893 20 30 CHEDHN C=CCN(Cc1ccc(OCC)c(OCC)c1)C1CC1 ZINC000357553888 327019045 /nfs/dbraw/zinc/01/90/45/327019045.db2.gz PLWONYVQEIQKSF-UHFFFAOYSA-N 0 3 275.392 3.634 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000558116993 327074624 /nfs/dbraw/zinc/07/46/24/327074624.db2.gz LYQSFUAQYDTWBM-LLVKDONJSA-N 0 3 276.346 3.837 20 30 CHEDHN C=CC[C@H](C)N[C@H](COC)c1cccc(Cl)c1F ZINC000558260076 327083951 /nfs/dbraw/zinc/08/39/51/327083951.db2.gz XGDXXLFELVELFM-GXFFZTMASA-N 0 3 271.763 3.721 20 30 CHEDHN CC(F)(F)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000559307866 327157412 /nfs/dbraw/zinc/15/74/12/327157412.db2.gz HUTBOCHCLGNNGA-UHFFFAOYSA-N 0 3 286.325 3.960 20 30 CHEDHN C=CCC(C)(C)CNCc1nc(CCC)cs1 ZINC000559307215 327157610 /nfs/dbraw/zinc/15/76/10/327157610.db2.gz RJPNLADUEUPDPG-UHFFFAOYSA-N 0 3 252.427 3.788 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OC3CCCCC3)nc2)C1 ZINC000518473116 327166109 /nfs/dbraw/zinc/16/61/09/327166109.db2.gz NVWRYRORBLIYFD-ZBFHGGJFSA-N 0 3 299.418 3.575 20 30 CHEDHN C=CCCCCNC1(c2nc(C)cs2)CCC1 ZINC000569426392 327175997 /nfs/dbraw/zinc/17/59/97/327175997.db2.gz XOUFFTOQJRGGDM-UHFFFAOYSA-N 0 3 250.411 3.777 20 30 CHEDHN N#CCCCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000102397594 327226928 /nfs/dbraw/zinc/22/69/28/327226928.db2.gz PQAKXPZUPKSOLC-UHFFFAOYSA-N 0 3 264.319 3.623 20 30 CHEDHN C[C@H]1CCC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000042373861 327237442 /nfs/dbraw/zinc/23/74/42/327237442.db2.gz FEPVLBIXXYFELB-SWLSCSKDSA-N 0 3 260.356 3.708 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000559431286 327244942 /nfs/dbraw/zinc/24/49/42/327244942.db2.gz AZZLDTJWMDGIHT-JKSUJKDBSA-N 0 3 284.403 3.577 20 30 CHEDHN CC1(C)CN(Cc2ccc(F)cc2C#N)[C@H]2CCC[C@H]21 ZINC000559426030 327244983 /nfs/dbraw/zinc/24/49/83/327244983.db2.gz YPRCDUFEFSEPKE-CVEARBPZSA-N 0 3 272.367 3.708 20 30 CHEDHN N#Cc1cccc(C2(NCCCOc3ccccc3)CC2)c1 ZINC000560175246 327288118 /nfs/dbraw/zinc/28/81/18/327288118.db2.gz PCFPAGJDFOEOSR-UHFFFAOYSA-N 0 3 292.382 3.606 20 30 CHEDHN C=CCCCCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000574172785 327297592 /nfs/dbraw/zinc/29/75/92/327297592.db2.gz WHLUXTUDGAVISY-UHFFFAOYSA-N 0 3 259.353 3.506 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NC/C=C/c1ccccc1)CC2 ZINC000564497206 327336495 /nfs/dbraw/zinc/33/64/95/327336495.db2.gz NPPATYMSBAZAMJ-QTWIXLPOSA-N 0 3 274.367 3.849 20 30 CHEDHN C=CCC1(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CCCC1 ZINC000449592789 327384455 /nfs/dbraw/zinc/38/44/55/327384455.db2.gz ZAAVYDGTNDVTKX-CVEARBPZSA-N 0 3 292.467 3.502 20 30 CHEDHN CC[C@H](CC(F)(F)F)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000569974892 327560101 /nfs/dbraw/zinc/56/01/01/327560101.db2.gz XYUFDAZCUMABCA-TZMCWYRMSA-N 0 3 282.309 3.866 20 30 CHEDHN C=CC[C@@H](CC)N[C@@H](C)c1nc2ccccc2n1C ZINC000281543374 327605835 /nfs/dbraw/zinc/60/58/35/327605835.db2.gz ITLXEAPPWSAKED-QWHCGFSZSA-N 0 3 257.381 3.579 20 30 CHEDHN CCc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000389119473 328622668 /nfs/dbraw/zinc/62/26/68/328622668.db2.gz OIJYHXJEUWOUEF-CQSZACIVSA-N 0 3 294.398 3.980 20 30 CHEDHN CCO[C@@H](CCN[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000358596852 328889115 /nfs/dbraw/zinc/88/91/15/328889115.db2.gz WHFNJWBPYJGAIM-DYVFJYSZSA-N 0 3 292.398 3.799 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000378140581 329041274 /nfs/dbraw/zinc/04/12/74/329041274.db2.gz NUWWNLXUARSJNV-KBXCAEBGSA-N 0 3 296.414 3.742 20 30 CHEDHN N#CCCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378642577 329057754 /nfs/dbraw/zinc/05/77/54/329057754.db2.gz GOVYZUSRGBJGDT-ZDUSSCGKSA-N 0 3 282.309 3.798 20 30 CHEDHN Cc1ccccc1OCCN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000532894488 329060159 /nfs/dbraw/zinc/06/01/59/329060159.db2.gz YFTGKMOEQNDLHV-MRXNPFEDSA-N 0 3 294.398 3.939 20 30 CHEDHN C[C@H](CCN(CCC#N)CC1CC1)c1ccccc1 ZINC000193880837 329062468 /nfs/dbraw/zinc/06/24/68/329062468.db2.gz PIMJLGNTFNUVMM-OAHLLOKOSA-N 0 3 256.393 3.806 20 30 CHEDHN CC1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000582493539 329097908 /nfs/dbraw/zinc/09/79/08/329097908.db2.gz FQBSJRPKBUTYDB-UHFFFAOYSA-N 0 3 292.382 3.589 20 30 CHEDHN C=CCCCCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000582676135 329123799 /nfs/dbraw/zinc/12/37/99/329123799.db2.gz DIVFVXXODPLSHA-OAHLLOKOSA-N 0 3 276.428 3.762 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCCSc1ccccc1)CC2 ZINC000582695563 329128852 /nfs/dbraw/zinc/12/88/52/329128852.db2.gz WGJMYFIGXXOQGE-SFHVURJKSA-N 0 3 294.423 3.927 20 30 CHEDHN C=CCc1cc(CN2CC(C)=C[C@H](C)C2)cc(OC)c1O ZINC000430880218 329233046 /nfs/dbraw/zinc/23/30/46/329233046.db2.gz WJNCPCKHIPUNBR-ZDUSSCGKSA-N 0 3 287.403 3.527 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000182520153 329242643 /nfs/dbraw/zinc/24/26/43/329242643.db2.gz KKHFTSPFOLGMHO-SNVBAGLBSA-N 0 3 272.270 3.540 20 30 CHEDHN CCCC(=O)Nc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185781408 329331771 /nfs/dbraw/zinc/33/17/71/329331771.db2.gz MKNJVZWFNXXBJN-WBVHZDCISA-N 0 3 299.418 3.597 20 30 CHEDHN N#Cc1ccc(CN2CCC(c3ccsc3)CC2)cc1 ZINC000186936412 329350573 /nfs/dbraw/zinc/35/05/73/329350573.db2.gz WVVPCBKJUKSEIT-UHFFFAOYSA-N 0 3 282.412 3.999 20 30 CHEDHN C=CC[C@@H](CC)NCc1csc(C(C)(C)C)n1 ZINC000393760880 329356593 /nfs/dbraw/zinc/35/65/93/329356593.db2.gz LENUFPYUKHYRAS-LLVKDONJSA-N 0 3 252.427 3.885 20 30 CHEDHN CC(C)(CC#N)CNCc1cc2cc(F)ccc2o1 ZINC000459738884 329376799 /nfs/dbraw/zinc/37/67/99/329376799.db2.gz YGESKNGJANLPOA-UHFFFAOYSA-N 0 3 260.312 3.601 20 30 CHEDHN N#Cc1csc(CN2CCC(c3ccc(O)cc3)CC2)c1 ZINC000124551224 329571379 /nfs/dbraw/zinc/57/13/79/329571379.db2.gz TWBFFAFFOUWYEJ-UHFFFAOYSA-N 0 3 298.411 3.705 20 30 CHEDHN C[C@H](N[C@@H]1CC12CCCC2)c1ccc(C#N)c(F)c1 ZINC000429425329 329720594 /nfs/dbraw/zinc/72/05/94/329720594.db2.gz KXULVWDOLFZTBD-XHDPSFHLSA-N 0 3 258.340 3.681 20 30 CHEDHN C#CC[C@@H](NCc1cc(OCC)ccc1O)c1ccccc1 ZINC000270168045 330073422 /nfs/dbraw/zinc/07/34/22/330073422.db2.gz GZYGLPGOSGTPEV-GOSISDBHSA-N 0 3 295.382 3.645 20 30 CHEDHN C#CC[C@H](NCc1cc(OCC)ccc1O)c1ccccc1 ZINC000270168049 330073678 /nfs/dbraw/zinc/07/36/78/330073678.db2.gz GZYGLPGOSGTPEV-SFHVURJKSA-N 0 3 295.382 3.645 20 30 CHEDHN C#CC[C@@H](NCc1cccc(OCC)c1)c1ccccc1 ZINC000270256370 330074172 /nfs/dbraw/zinc/07/41/72/330074172.db2.gz VGPXADSRMNLHFK-LJQANCHMSA-N 0 3 279.383 3.940 20 30 CHEDHN C#CCCN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000270567375 330076399 /nfs/dbraw/zinc/07/63/99/330076399.db2.gz ZKDOPRPKJKFMJF-INIZCTEOSA-N 0 3 295.430 3.820 20 30 CHEDHN C=CCC(C)(C)CN[C@@H](C)c1ccncc1Cl ZINC000421864243 330098906 /nfs/dbraw/zinc/09/89/06/330098906.db2.gz YBMCKFBWABJIBK-NSHDSACASA-N 0 3 252.789 3.988 20 30 CHEDHN C=C(C)CCN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000274748383 330107750 /nfs/dbraw/zinc/10/77/50/330107750.db2.gz HBZKKJYKMRTUGU-UHFFFAOYSA-N 0 3 287.403 3.556 20 30 CHEDHN C=C(C)CCN[C@@H](COCC(C)C)c1ccco1 ZINC000274864286 330108025 /nfs/dbraw/zinc/10/80/25/330108025.db2.gz VFWFFMRQCWRHEO-AWEZNQCLSA-N 0 3 251.370 3.549 20 30 CHEDHN C=CCC[C@@H](NC[C@](C)(O)c1cccs1)c1ccco1 ZINC000276391730 330113005 /nfs/dbraw/zinc/11/30/05/330113005.db2.gz BUAFUIXCWUQIPY-CJNGLKHVSA-N 0 3 291.416 3.846 20 30 CHEDHN C[C@@H](NC[C@H](C)C#N)[C@@H](C)c1ccc(Cl)cc1 ZINC000527235485 330239728 /nfs/dbraw/zinc/23/97/28/330239728.db2.gz SPIWEBRISOEBPD-IJLUTSLNSA-N 0 3 250.773 3.581 20 30 CHEDHN CCN(Cc1ccnc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000527535058 330263222 /nfs/dbraw/zinc/26/32/22/330263222.db2.gz USMIUZWUYNDYSS-HNNXBMFYSA-N 0 3 279.387 3.845 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(Oc2ccccc2)o1 ZINC000424165242 330309104 /nfs/dbraw/zinc/30/91/04/330309104.db2.gz AJUVQOOTUVQERO-YOEHRIQHSA-N 0 3 299.370 3.753 20 30 CHEDHN CC(C)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000424194351 330324418 /nfs/dbraw/zinc/32/44/18/330324418.db2.gz LLGCJEPPNFIFIL-GXTWGEPZSA-N 0 3 287.363 3.500 20 30 CHEDHN C[C@@H](CCc1ccccc1)NCc1ccc(C#N)cc1F ZINC000044299799 330327363 /nfs/dbraw/zinc/32/73/63/330327363.db2.gz ZEXGVVQLEWVJEP-AWEZNQCLSA-N 0 3 282.362 3.808 20 30 CHEDHN CCN(Cc1ccc(C)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000533079504 330330817 /nfs/dbraw/zinc/33/08/17/330330817.db2.gz XDGFIOXUGLBSIW-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424318075 330339789 /nfs/dbraw/zinc/33/97/89/330339789.db2.gz CLGRIQUBAJERGV-HLPPOEQASA-N 0 3 254.377 3.825 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cnc2ccsc2c1 ZINC000424328841 330341844 /nfs/dbraw/zinc/34/18/44/330341844.db2.gz OWQAPSTYTXPWAG-GMXVVIOVSA-N 0 3 271.389 3.639 20 30 CHEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000046602527 330354720 /nfs/dbraw/zinc/35/47/20/330354720.db2.gz YOSUNUGKNTUXGQ-UHFFFAOYSA-N 0 3 262.356 3.819 20 30 CHEDHN C=C(CC)CN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000536891039 330363321 /nfs/dbraw/zinc/36/33/21/330363321.db2.gz WDTQIGSFLUNZSL-SFHVURJKSA-N 0 3 289.419 3.642 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000119317449 330372843 /nfs/dbraw/zinc/37/28/43/330372843.db2.gz LGRRFZFQVJXKOX-DTWKUNHWSA-N 0 3 272.161 3.813 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000119341373 330373191 /nfs/dbraw/zinc/37/31/91/330373191.db2.gz ZBEDAKKYDKOPBK-VHSXEESVSA-N 0 3 254.171 3.674 20 30 CHEDHN C=C(C)CNCc1cnc(-c2ccc(C)cc2)s1 ZINC000119617204 330377405 /nfs/dbraw/zinc/37/74/05/330377405.db2.gz BEHRIJCDHPSZCJ-UHFFFAOYSA-N 0 3 258.390 3.784 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000120552558 330389459 /nfs/dbraw/zinc/38/94/59/330389459.db2.gz XVGNPEQGICIZRZ-SFHVURJKSA-N 0 3 289.419 3.642 20 30 CHEDHN C=C(C)COCCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000090451463 330392746 /nfs/dbraw/zinc/39/27/46/330392746.db2.gz UBHNYKCOUFWQII-INIZCTEOSA-N 0 3 287.403 3.615 20 30 CHEDHN C=CCCOCCNCc1ccc2ccccc2c1 ZINC000120859795 330393079 /nfs/dbraw/zinc/39/30/79/330393079.db2.gz AMNDMZOWEALPQP-UHFFFAOYSA-N 0 3 255.361 3.522 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccc(SC)c(F)c1 ZINC000090883735 330396620 /nfs/dbraw/zinc/39/66/20/330396620.db2.gz LRFYVXLJWLAKAH-GFCCVEGCSA-N 0 3 283.412 3.791 20 30 CHEDHN C=CCCOCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000090884069 330396662 /nfs/dbraw/zinc/39/66/62/330396662.db2.gz DTNPFGMKAOWFFG-MRXNPFEDSA-N 0 3 287.403 3.615 20 30 CHEDHN C=CCC[C@@H](NCc1cccnc1OCC(F)F)C1CC1 ZINC000090942088 330397150 /nfs/dbraw/zinc/39/71/50/330397150.db2.gz DNMMGUHZSMSIQA-CQSZACIVSA-N 0 3 296.361 3.560 20 30 CHEDHN CC(C)(NCCOc1cccc(C#N)c1)c1cccc(F)c1 ZINC000537086751 330397610 /nfs/dbraw/zinc/39/76/10/330397610.db2.gz JXRGBFUMQYRPCS-UHFFFAOYSA-N 0 3 298.361 3.601 20 30 CHEDHN CC1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000448454570 330537408 /nfs/dbraw/zinc/53/74/08/330537408.db2.gz MCNDDMZLKATBPU-UHFFFAOYSA-N 0 3 297.320 3.669 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(OC(F)F)c1 ZINC000430724828 330571477 /nfs/dbraw/zinc/57/14/77/330571477.db2.gz OZCSIZBKSHZAQT-NSHDSACASA-N 0 3 280.318 3.632 20 30 CHEDHN N#CCC1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000430742504 330572440 /nfs/dbraw/zinc/57/24/40/330572440.db2.gz OWRNQMLGNGLFFK-QGZVFWFLSA-N 0 3 279.387 3.609 20 30 CHEDHN C=CCC[C@H](C)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000435024603 330648170 /nfs/dbraw/zinc/64/81/70/330648170.db2.gz SXTLPYWKVQJIRS-XJKSGUPXSA-N 0 3 274.408 3.838 20 30 CHEDHN CCCOc1cc(C)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442762031 330781525 /nfs/dbraw/zinc/78/15/25/330781525.db2.gz DSIWIVAFEQFLBR-ZBFHGGJFSA-N 0 3 272.392 3.566 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000442842984 330786439 /nfs/dbraw/zinc/78/64/39/330786439.db2.gz RCBBBARUYUHTPL-BNOWGMLFSA-N 0 3 282.309 3.614 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000447527070 330867831 /nfs/dbraw/zinc/86/78/31/330867831.db2.gz DWEYXPGWCLJETJ-XNRPHZJLSA-N 0 3 288.366 3.711 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000447527068 330867871 /nfs/dbraw/zinc/86/78/71/330867871.db2.gz DWEYXPGWCLJETJ-IVMMDQJWSA-N 0 3 288.366 3.711 20 30 CHEDHN CC[C@@H](NCCOC1CCCCC1)c1ccc(C#N)cc1 ZINC000447531649 330868341 /nfs/dbraw/zinc/86/83/41/330868341.db2.gz SBNYXDIIUASXQY-GOSISDBHSA-N 0 3 286.419 3.948 20 30 CHEDHN C=C(C)[C@H](N[C@H]1CSC[C@H]1C)c1ccc(F)c(F)c1 ZINC000449252190 330910053 /nfs/dbraw/zinc/91/00/53/330910053.db2.gz UGDBCTFQQHFVLJ-ONERCXAPSA-N 0 3 283.387 3.923 20 30 CHEDHN C=C(C)COc1cc(CNC2CC(C)(F)C2)ccc1OC ZINC000449369947 330919391 /nfs/dbraw/zinc/91/93/91/330919391.db2.gz GOZXCKUALLYIHD-UHFFFAOYSA-N 0 3 293.382 3.630 20 30 CHEDHN CO[C@](C)(CNCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000449482879 330929577 /nfs/dbraw/zinc/92/95/77/330929577.db2.gz DKOHUFSCZVIBTR-LJQANCHMSA-N 0 3 294.398 3.518 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1C(F)(F)F ZINC000449520471 330933526 /nfs/dbraw/zinc/93/35/26/330933526.db2.gz PQMTWRSCQZWUOP-GDLCADMTSA-N 0 3 285.309 3.700 20 30 CHEDHN C=CCC[C@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000449694060 330943928 /nfs/dbraw/zinc/94/39/28/330943928.db2.gz AMJRIBKUJXXQEF-CYBMUJFWSA-N 0 3 289.350 3.502 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@@H]2c2ccccc2)CCC1 ZINC000450820390 331001025 /nfs/dbraw/zinc/00/10/25/331001025.db2.gz NRPGESPVPSVBQA-CVEARBPZSA-N 0 3 254.377 3.606 20 30 CHEDHN C=CCOCCCN1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451019684 331012034 /nfs/dbraw/zinc/01/20/34/331012034.db2.gz WYFUUULWOOLHFZ-KRWDZBQOSA-N 0 3 299.418 3.601 20 30 CHEDHN C=CCOCCCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451019684 331012035 /nfs/dbraw/zinc/01/20/35/331012035.db2.gz WYFUUULWOOLHFZ-KRWDZBQOSA-N 0 3 299.418 3.601 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(F)c(F)c1 ZINC000451154809 331017879 /nfs/dbraw/zinc/01/78/79/331017879.db2.gz MKCKGFYQSGBUHD-CJTUPEFNSA-N 0 3 281.346 3.738 20 30 CHEDHN C=CCCCCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451289142 331023353 /nfs/dbraw/zinc/02/33/53/331023353.db2.gz WRRGKSSCLJQITF-ROUUACIJSA-N 0 3 291.410 3.533 20 30 CHEDHN C=C(CC)CN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451303806 331023846 /nfs/dbraw/zinc/02/38/46/331023846.db2.gz HFCAYPVOYQUMPV-AWEZNQCLSA-N 0 3 287.325 3.685 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000451606241 331036390 /nfs/dbraw/zinc/03/63/90/331036390.db2.gz MVZFTBZBVSASQD-HONMWMINSA-N 0 3 285.309 3.700 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(SC(C)C)cc1 ZINC000451611813 331036983 /nfs/dbraw/zinc/03/69/83/331036983.db2.gz XSLRNFPUUIIFDS-CVEARBPZSA-N 0 3 277.433 3.620 20 30 CHEDHN C=C(C)CN[C@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000451689642 331039249 /nfs/dbraw/zinc/03/92/49/331039249.db2.gz JUZXZMRHKCRUSN-CQSZACIVSA-N 0 3 287.325 3.949 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@]2(CCSC2)C1 ZINC000451962038 331048336 /nfs/dbraw/zinc/04/83/36/331048336.db2.gz FHMGGRGEUYVRPK-PBHICJAKSA-N 0 3 286.444 3.838 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(OCCC)cc1 ZINC000163517875 331049858 /nfs/dbraw/zinc/04/98/58/331049858.db2.gz GOBDZBSUAHXAOF-HNNXBMFYSA-N 0 3 277.408 3.719 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(OCCC)cc1 ZINC000163517760 331049934 /nfs/dbraw/zinc/04/99/34/331049934.db2.gz GOBDZBSUAHXAOF-OAHLLOKOSA-N 0 3 277.408 3.719 20 30 CHEDHN C[C@H]1CC[C@H](NCC2(CC#N)CC2)c2sccc21 ZINC000453210004 331101703 /nfs/dbraw/zinc/10/17/03/331101703.db2.gz JBILPVWYHFVMSZ-AAEUAGOBSA-N 0 3 260.406 3.970 20 30 CHEDHN C[C@@H](CCCc1cccnc1)NCc1cccc(C#N)c1F ZINC000453214379 331102242 /nfs/dbraw/zinc/10/22/42/331102242.db2.gz JPZQTZSWPBIHHI-AWEZNQCLSA-N 0 3 297.377 3.593 20 30 CHEDHN C=CCC[C@H](NC[C@@H](CCC)OC)c1ccco1 ZINC000453260450 331108563 /nfs/dbraw/zinc/10/85/63/331108563.db2.gz YDUWDWYETNQZIW-KGLIPLIRSA-N 0 3 251.370 3.692 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000453341864 331119233 /nfs/dbraw/zinc/11/92/33/331119233.db2.gz DEKJIJRAISUGMH-OLMNPRSZSA-N 0 3 289.419 3.716 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453360779 331122300 /nfs/dbraw/zinc/12/23/00/331122300.db2.gz MXLPBMLSZOTCTA-LBPRGKRZSA-N 0 3 272.392 3.533 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1csc(Cl)c1 ZINC000453379354 331125559 /nfs/dbraw/zinc/12/55/59/331125559.db2.gz ZBLKHIADEGZPAI-JLLWLGSASA-N 0 3 271.813 3.786 20 30 CHEDHN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000453392023 331127468 /nfs/dbraw/zinc/12/74/68/331127468.db2.gz UCVYXGGDXBDUKE-KZULUSFZSA-N 0 3 280.346 3.720 20 30 CHEDHN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000453392025 331127510 /nfs/dbraw/zinc/12/75/10/331127510.db2.gz UCVYXGGDXBDUKE-XIKOKIGWSA-N 0 3 280.346 3.720 20 30 CHEDHN CC[C@]1(C(C)C)C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000457283113 331218106 /nfs/dbraw/zinc/21/81/06/331218106.db2.gz NLUCCAVUIGKFEL-YQVWRLOYSA-N 0 3 298.430 3.700 20 30 CHEDHN CC1(C)Cc2ccsc2CN1CCCSCC#N ZINC000459585489 331289322 /nfs/dbraw/zinc/28/93/22/331289322.db2.gz RZHSZGBFDBFWNI-UHFFFAOYSA-N 0 3 280.462 3.532 20 30 CHEDHN CC(C)(CCC#N)CN1CC(C)(CC(F)(F)F)C1 ZINC000459640905 331291635 /nfs/dbraw/zinc/29/16/35/331291635.db2.gz QPFDYKDTOFLLGM-UHFFFAOYSA-N 0 3 262.319 3.591 20 30 CHEDHN CCCCOc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459687528 331294514 /nfs/dbraw/zinc/29/45/14/331294514.db2.gz GTJYCISAARZSNT-UHFFFAOYSA-N 0 3 274.408 3.895 20 30 CHEDHN COc1cc(CNCC(C)(C)CC#N)ccc1OC(C)C ZINC000459687523 331294525 /nfs/dbraw/zinc/29/45/25/331294525.db2.gz GTHOTKXDYOESJO-UHFFFAOYSA-N 0 3 290.407 3.512 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(OC(F)(F)F)cc1 ZINC000459690815 331294683 /nfs/dbraw/zinc/29/46/83/331294683.db2.gz JXXHRSZAVXAVAH-UHFFFAOYSA-N 0 3 286.297 3.615 20 30 CHEDHN CC1(C)[C@@H](CNCc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000459713462 331295434 /nfs/dbraw/zinc/29/54/34/331295434.db2.gz NYJDDIPLRLVTAX-IRXDYDNUSA-N 0 3 280.371 3.681 20 30 CHEDHN CC1(C)[C@@H](CNCc2nc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000459721334 331295696 /nfs/dbraw/zinc/29/56/96/331295696.db2.gz VWXHQIVOWWIDBK-HOCLYGCPSA-N 0 3 297.427 3.544 20 30 CHEDHN CC(C)(CC#N)CNCc1cc(F)cc(Br)c1 ZINC000459725652 331295983 /nfs/dbraw/zinc/29/59/83/331295983.db2.gz DNLAEXBSYLDGNU-UHFFFAOYSA-N 0 3 299.187 3.618 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(OCC2CC2)cc1 ZINC000459731223 331296481 /nfs/dbraw/zinc/29/64/81/331296481.db2.gz MXFBCMQBELPCCA-UHFFFAOYSA-N 0 3 272.392 3.505 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(C2CCC2)cc1 ZINC000459738104 331297062 /nfs/dbraw/zinc/29/70/62/331297062.db2.gz XKULEJWYMSUCNP-UHFFFAOYSA-N 0 3 256.393 3.984 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1C[C@](C)(OC)C1(C)C ZINC000465014216 331375792 /nfs/dbraw/zinc/37/57/92/331375792.db2.gz KNHDXXJQPNVLEF-AEFFLSMTSA-N 0 3 289.419 3.545 20 30 CHEDHN C=CC[C@H](CC)NCc1ncc(C(C)(C)C)s1 ZINC000466405652 331395260 /nfs/dbraw/zinc/39/52/60/331395260.db2.gz PTUQITMALOZPQB-NSHDSACASA-N 0 3 252.427 3.885 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@@H](CO)c1cccc(Cl)c1F ZINC000467415131 331418322 /nfs/dbraw/zinc/41/83/22/331418322.db2.gz AHSNBDPCWAREOK-MJVIPROJSA-N 0 3 285.790 3.703 20 30 CHEDHN C=CC[C@@H](CC)NCc1cc(C(=O)OC)ccc1Cl ZINC000467523481 331421098 /nfs/dbraw/zinc/42/10/98/331421098.db2.gz QWLWNTONHCIUFR-CYBMUJFWSA-N 0 3 281.783 3.571 20 30 CHEDHN C=CCOCCCNC(C)(C)c1cccc(Cl)c1F ZINC000470790665 331491614 /nfs/dbraw/zinc/49/16/14/331491614.db2.gz VCNRAHTZKBVVAQ-UHFFFAOYSA-N 0 3 285.790 3.897 20 30 CHEDHN C=CCCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000471607499 331513008 /nfs/dbraw/zinc/51/30/08/331513008.db2.gz VABLNLXMQHNPOT-CQSZACIVSA-N 0 3 251.320 3.898 20 30 CHEDHN CC(C)c1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000479399940 331727123 /nfs/dbraw/zinc/72/71/23/331727123.db2.gz WYVTYTLAZQNPPO-UHFFFAOYSA-N 0 3 264.372 3.971 20 30 CHEDHN Cc1cc2[nH]c(CNCc3cccc(C#N)c3)cc2c(C)c1 ZINC000479399094 331727154 /nfs/dbraw/zinc/72/71/54/331727154.db2.gz NECQRPQRAZILAV-UHFFFAOYSA-N 0 3 289.382 3.946 20 30 CHEDHN C=C(C)COc1cc(CNCC=C(C)C)ccc1OC ZINC000480283179 331766137 /nfs/dbraw/zinc/76/61/37/331766137.db2.gz NGVONVCNAGAJEW-UHFFFAOYSA-N 0 3 275.392 3.706 20 30 CHEDHN C=C(C)[C@H](NC[C@@H](O)CCC(C)C)c1ccc(F)c(F)c1 ZINC000482860134 331848638 /nfs/dbraw/zinc/84/86/38/331848638.db2.gz UHNKEOWPISEVNU-YOEHRIQHSA-N 0 3 297.389 3.969 20 30 CHEDHN C=CCN(CCSC(C)C)Cc1cccs1 ZINC000513960580 333055281 /nfs/dbraw/zinc/05/52/81/333055281.db2.gz KTXVPAFGBLTOGP-UHFFFAOYSA-N 0 3 255.452 3.878 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000486895075 331948606 /nfs/dbraw/zinc/94/86/06/331948606.db2.gz BVVSTEIPLSMFAN-CVEARBPZSA-N 0 3 280.371 3.967 20 30 CHEDHN C=CCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511594505 332936656 /nfs/dbraw/zinc/93/66/56/332936656.db2.gz OOTKAXXHOWLBKC-ZDUSSCGKSA-N 0 3 271.282 3.812 20 30 CHEDHN C=CCC[C@H](CC)N[C@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000488488787 332013361 /nfs/dbraw/zinc/01/33/61/332013361.db2.gz RYQWNVUZROBBNJ-XQQFMLRXSA-N 0 3 264.417 3.714 20 30 CHEDHN Cc1cc(CN[C@H](CC(F)(F)F)C(C)C)ccc1C#N ZINC000489013711 332037823 /nfs/dbraw/zinc/03/78/23/332037823.db2.gz OAWYZRGOVGNUAO-CQSZACIVSA-N 0 3 284.325 3.933 20 30 CHEDHN C=CC1CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC000489250347 332044368 /nfs/dbraw/zinc/04/43/68/332044368.db2.gz BWYPVEXCWFTHFU-UHFFFAOYSA-N 0 3 265.784 3.747 20 30 CHEDHN C=C(C)CN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490056173 332079108 /nfs/dbraw/zinc/07/91/08/332079108.db2.gz BCHDPFCAOFNTRW-AWEZNQCLSA-N 0 3 253.773 3.535 20 30 CHEDHN C[C@@H]1C[C@H](CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000490403891 332088536 /nfs/dbraw/zinc/08/85/36/332088536.db2.gz QIXXGFFFGSNMOG-RWQQGDIJSA-N 0 3 298.430 3.573 20 30 CHEDHN C=CCN(CCc1ccco1)CCc1ccc(F)c(F)c1 ZINC000491297174 332184448 /nfs/dbraw/zinc/18/44/48/332184448.db2.gz SSEUQENBISMLRY-UHFFFAOYSA-N 0 3 291.341 3.831 20 30 CHEDHN C#C[C@H](NC1CCC(OC)CC1)c1ccc(Cl)cc1 ZINC000491428339 332210061 /nfs/dbraw/zinc/21/00/61/332210061.db2.gz OHKJPOBOMIGSLD-GPANFISMSA-N 0 3 277.795 3.562 20 30 CHEDHN C=CCOCCN[C@@H](COc1ccccc1)c1ccccc1 ZINC000575334499 335095375 /nfs/dbraw/zinc/09/53/75/335095375.db2.gz RPIYMUUUDOHYGR-IBGZPJMESA-N 0 3 297.398 3.599 20 30 CHEDHN C#C[C@@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000491819410 332369355 /nfs/dbraw/zinc/36/93/55/332369355.db2.gz NVIXWOJYHQJOOE-NOXHYTERSA-N 0 3 277.795 3.560 20 30 CHEDHN N#CCC[C@H](C#N)CNC1CCC(c2ccc(F)cc2)CC1 ZINC000575474343 335105750 /nfs/dbraw/zinc/10/57/50/335105750.db2.gz WGHVUWBJHHMSNF-MXWWQKGMSA-N 0 3 299.393 3.885 20 30 CHEDHN C=CCSCCNCc1ccc2nc(C)sc2c1 ZINC000494104408 332463487 /nfs/dbraw/zinc/46/34/87/332463487.db2.gz DBZUTBBWQJIJKC-UHFFFAOYSA-N 0 3 278.446 3.614 20 30 CHEDHN CC#CCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000499209640 332582434 /nfs/dbraw/zinc/58/24/34/332582434.db2.gz FJIQFSYVHFPIKG-UHFFFAOYSA-N 0 3 275.298 3.728 20 30 CHEDHN CC#CCCNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000499212667 332582765 /nfs/dbraw/zinc/58/27/65/332582765.db2.gz LNDHHBWGGILZHX-UHFFFAOYSA-N 0 3 275.701 3.862 20 30 CHEDHN C=CCCCNCc1cc(OC)ccc1Br ZINC000303987041 332963998 /nfs/dbraw/zinc/96/39/98/332963998.db2.gz JVEHCGRFDOKCGC-UHFFFAOYSA-N 0 3 284.197 3.514 20 30 CHEDHN COc1ccccc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512641548 332977270 /nfs/dbraw/zinc/97/72/70/332977270.db2.gz IEEUOCNPGYUEOY-ZDUSSCGKSA-N 0 3 298.361 3.599 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2cccs2)C2CC2)cc1F ZINC000404565220 333014964 /nfs/dbraw/zinc/01/49/64/333014964.db2.gz ALKXKRVBEOKATH-MRXNPFEDSA-N 0 3 286.375 4.000 20 30 CHEDHN C=C[C@H](C)N[C@@H]1CCc2sc(Br)cc21 ZINC000307639582 333015562 /nfs/dbraw/zinc/01/55/62/333015562.db2.gz FUVXBDUKAAAXFM-IONNQARKSA-N 0 3 272.211 3.662 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](Cc3ccccc3)C2)o1 ZINC000513642695 333028609 /nfs/dbraw/zinc/02/86/09/333028609.db2.gz NEJXMPWUYKEEPZ-MRXNPFEDSA-N 0 3 280.371 3.606 20 30 CHEDHN CCCC[C@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000312115001 333076682 /nfs/dbraw/zinc/07/66/82/333076682.db2.gz OZGZKXWRQDFKDN-ZDUSSCGKSA-N 0 3 260.381 3.577 20 30 CHEDHN C[C@H]1C[C@H](c2ccccc2)CCN1Cc1ccc(C#N)cn1 ZINC000517387279 333098604 /nfs/dbraw/zinc/09/86/04/333098604.db2.gz BEBDDPXIJJESNB-MAUKXSAKSA-N 0 3 291.398 3.721 20 30 CHEDHN C=C1CCN(CCCOc2ccc(Cl)cc2)CC1 ZINC000517468726 333100147 /nfs/dbraw/zinc/10/01/47/333100147.db2.gz VOHUVPKFHIWPKQ-UHFFFAOYSA-N 0 3 265.784 3.761 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@H]32)c(F)c1 ZINC000217728241 333123110 /nfs/dbraw/zinc/12/31/10/333123110.db2.gz PYTZUEYTHRZMAS-WMLDXEAASA-N 0 3 272.367 3.852 20 30 CHEDHN C=CCC[C@@H](O)CNC(C)(C)c1cccc(Cl)c1F ZINC000186889160 333166290 /nfs/dbraw/zinc/16/62/90/333166290.db2.gz KFRDLDWDVSGJQZ-LLVKDONJSA-N 0 3 285.790 3.631 20 30 CHEDHN COc1cccc([C@@H](C)NCc2ccc(F)c(C#N)c2)c1 ZINC000223629306 333210217 /nfs/dbraw/zinc/21/02/17/333210217.db2.gz AEEWMRVDKUKVKO-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN COc1ccc([C@H](CCC#N)NC2CC(C)(C)C2)cc1 ZINC000575883361 335128174 /nfs/dbraw/zinc/12/81/74/335128174.db2.gz QMBIEXHGHAAHJN-INIZCTEOSA-N 0 3 272.392 3.818 20 30 CHEDHN CCOc1cccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000192153081 333230734 /nfs/dbraw/zinc/23/07/34/333230734.db2.gz LXNNJZZEJCRBOT-CYBMUJFWSA-N 0 3 298.361 3.947 20 30 CHEDHN CC1(C)CCCC[C@H]1NCc1cccc(C#N)c1F ZINC000229594916 333306939 /nfs/dbraw/zinc/30/69/39/333306939.db2.gz VHLLASWGJZAKQZ-CQSZACIVSA-N 0 3 260.356 3.756 20 30 CHEDHN CCN(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000233496980 333353111 /nfs/dbraw/zinc/35/31/11/333353111.db2.gz IIHILKJIOIHEDD-UHFFFAOYSA-N 0 3 280.371 3.589 20 30 CHEDHN COc1cc(CNCc2cccc(Cl)c2)ccc1C#N ZINC000234927991 333363056 /nfs/dbraw/zinc/36/30/56/333363056.db2.gz PJMUAUKVLHLMHW-UHFFFAOYSA-N 0 3 286.762 3.510 20 30 CHEDHN C[C@H](NCCCCC(C)(C)C#N)c1nccs1 ZINC000235507037 333370132 /nfs/dbraw/zinc/37/01/32/333370132.db2.gz RTPZDRQHIGSSJP-NSHDSACASA-N 0 3 251.399 3.514 20 30 CHEDHN C[C@H]1C[C@H]1c1ccc(CN2CCC(CCC#N)CC2)o1 ZINC000575989641 335139176 /nfs/dbraw/zinc/13/91/76/335139176.db2.gz UTSVQLNOPLBBAQ-XJKSGUPXSA-N 0 3 272.392 3.919 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncccc1Cl ZINC000528546969 333445814 /nfs/dbraw/zinc/44/58/14/333445814.db2.gz WPWDOFPKZHHJHW-TZMCWYRMSA-N 0 3 264.800 3.960 20 30 CHEDHN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000036991894 333452436 /nfs/dbraw/zinc/45/24/36/333452436.db2.gz CAJSHMBAJINFLV-KBPBESRZSA-N 0 3 275.355 3.842 20 30 CHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1ccccc1 ZINC000174093886 335148046 /nfs/dbraw/zinc/14/80/46/335148046.db2.gz YLATWJLYFULULT-GJZGRUSLSA-N 0 3 280.371 3.676 20 30 CHEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCC(C)(C)C#N ZINC000538691441 333611875 /nfs/dbraw/zinc/61/18/75/333611875.db2.gz OOQQPUVEJVBEOS-IUODEOHRSA-N 0 3 294.826 3.945 20 30 CHEDHN N#Cc1ccc(CNCCc2csc3ccccc23)o1 ZINC000174317613 335152621 /nfs/dbraw/zinc/15/26/21/335152621.db2.gz OBGAIGXGQSWULQ-UHFFFAOYSA-N 0 3 282.368 3.698 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(SCCOC)cc1 ZINC000539307773 333665136 /nfs/dbraw/zinc/66/51/36/333665136.db2.gz ZRNPAKLCKUKPRH-CYBMUJFWSA-N 0 3 265.422 3.652 20 30 CHEDHN CC(C)COc1ccc(CCNCc2ccc(C#N)o2)cc1 ZINC000174367740 335153159 /nfs/dbraw/zinc/15/31/59/335153159.db2.gz MNEWJMOYXNOISX-UHFFFAOYSA-N 0 3 298.386 3.518 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)o1 ZINC000539418819 333670642 /nfs/dbraw/zinc/67/06/42/333670642.db2.gz MNVHKQXYDBNHAJ-MGPQQGTHSA-N 0 3 258.365 3.600 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000174415789 335154117 /nfs/dbraw/zinc/15/41/17/335154117.db2.gz NIKMJEUHXHAULX-YJBOKZPZSA-N 0 3 280.371 3.652 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000540352509 333726924 /nfs/dbraw/zinc/72/69/24/333726924.db2.gz OJXNMZIHTKJIHT-CYBMUJFWSA-N 0 3 263.381 3.709 20 30 CHEDHN Cc1cccc(O[C@H](C)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000540593664 333736545 /nfs/dbraw/zinc/73/65/45/333736545.db2.gz NBIXXCOCJHCUJM-CVEARBPZSA-N 0 3 294.398 3.985 20 30 CHEDHN N#CCC1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000542878191 333847463 /nfs/dbraw/zinc/84/74/63/333847463.db2.gz DYLWTNUWKNPUHK-QGZVFWFLSA-N 0 3 272.367 3.829 20 30 CHEDHN C=CCCC[C@@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000543545089 333880084 /nfs/dbraw/zinc/88/00/84/333880084.db2.gz HDJVGMWYJOPYBI-HUUCEWRRSA-N 0 3 284.407 3.663 20 30 CHEDHN C=CC[C@H](CO)N[C@H](C)c1oc2ccc(C)cc2c1CC ZINC000546685959 334045823 /nfs/dbraw/zinc/04/58/23/334045823.db2.gz FTUGZTOHTHYVLU-ZIAGYGMSSA-N 0 3 287.403 3.891 20 30 CHEDHN CC(C)c1ccc(CCCNCc2ccc(C#N)o2)cc1 ZINC000236642758 334061662 /nfs/dbraw/zinc/06/16/62/334061662.db2.gz MXUDVIPWJAEPHJ-UHFFFAOYSA-N 0 3 282.387 3.997 20 30 CHEDHN C[C@@H]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000237381036 334087842 /nfs/dbraw/zinc/08/78/42/334087842.db2.gz BNKUNGFEHVVLKB-IUODEOHRSA-N 0 3 281.321 3.835 20 30 CHEDHN CC[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000135263071 334122581 /nfs/dbraw/zinc/12/25/81/334122581.db2.gz ADQDHUDPNDGIPD-HNNXBMFYSA-N 0 3 288.460 3.815 20 30 CHEDHN C=CCN(Cc1cccs1)C1Cc2ccccc2C1 ZINC000551724495 334259236 /nfs/dbraw/zinc/25/92/36/334259236.db2.gz QUYZWLYBZVBZDR-UHFFFAOYSA-N 0 3 269.413 3.904 20 30 CHEDHN CCN(C[C@H]1CCC(C)(C)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000248591374 334307393 /nfs/dbraw/zinc/30/73/93/334307393.db2.gz YUOWKNAGNAXTHI-RHSMWYFYSA-N 0 3 286.419 3.899 20 30 CHEDHN C=CCCCC[C@H](C)NCc1csc(CC)n1 ZINC000553612302 334393510 /nfs/dbraw/zinc/39/35/10/334393510.db2.gz WRIAOOZSLDAZSJ-LBPRGKRZSA-N 0 3 252.427 3.930 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)[C@@H]1CCCC[C@H]1O ZINC000553826149 334399914 /nfs/dbraw/zinc/39/99/14/334399914.db2.gz XPRYOLPPHFUZEE-CHWSQXEVSA-N 0 3 285.840 3.693 20 30 CHEDHN C=CCOCCNC(C)(C)c1cccc(Cl)c1F ZINC000555427684 334478401 /nfs/dbraw/zinc/47/84/01/334478401.db2.gz HVPTUJOJFMXECP-UHFFFAOYSA-N 0 3 271.763 3.506 20 30 CHEDHN Cc1cccc2c1OC[C@H](N[C@H](C)c1ccc(C#N)cc1)C2 ZINC000564428572 334508023 /nfs/dbraw/zinc/50/80/23/334508023.db2.gz XXUNDNKZWJEFDM-RDTXWAMCSA-N 0 3 292.382 3.521 20 30 CHEDHN Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000564431265 334508207 /nfs/dbraw/zinc/50/82/07/334508207.db2.gz BKMHTSIXLWNEEP-SFHVURJKSA-N 0 3 262.356 3.644 20 30 CHEDHN CC[C@H](CC#N)NCCCOc1cccc2ccccc21 ZINC000565171951 334542368 /nfs/dbraw/zinc/54/23/68/334542368.db2.gz JRAWIFPDIFQRIW-MRXNPFEDSA-N 0 3 282.387 3.891 20 30 CHEDHN N#CCCC1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000565772594 334595504 /nfs/dbraw/zinc/59/55/04/334595504.db2.gz CXVOLDQJFJNMFN-UHFFFAOYSA-N 0 3 294.345 3.804 20 30 CHEDHN Cc1ccccc1C(C)(C)NCC#Cc1ccccc1 ZINC000565822428 334599961 /nfs/dbraw/zinc/59/99/61/334599961.db2.gz VVSZIGSMJGRJBK-UHFFFAOYSA-N 0 3 263.384 3.871 20 30 CHEDHN C[C@@H]1C[C@@H](CCNCc2nc(C#N)cs2)CC(C)(C)C1 ZINC000566590879 334656745 /nfs/dbraw/zinc/65/67/45/334656745.db2.gz LSESYHPWNMQEGH-CHWSQXEVSA-N 0 3 291.464 3.957 20 30 CHEDHN C=CCc1cc(CN2CCCCCC2)cc(OC)c1O ZINC000157373443 334768619 /nfs/dbraw/zinc/76/86/19/334768619.db2.gz CPXSHMBVFUMANW-UHFFFAOYSA-N 0 3 275.392 3.505 20 30 CHEDHN CC(C)(NCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000175990038 335226459 /nfs/dbraw/zinc/22/64/59/335226459.db2.gz AYILGTSWMNDDPX-UHFFFAOYSA-N 0 3 286.325 3.861 20 30 CHEDHN Cc1cc(CNCC(C)(C)C(F)(F)F)ccc1C#N ZINC000576817288 335250917 /nfs/dbraw/zinc/25/09/17/335250917.db2.gz KQVFFQORLBGZIZ-UHFFFAOYSA-N 0 3 270.298 3.545 20 30 CHEDHN CC(C)(C)CC(C)(C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580556604 335280008 /nfs/dbraw/zinc/28/00/08/335280008.db2.gz XJQMXQQLTFMAIM-UHFFFAOYSA-N 0 3 289.379 3.771 20 30 CHEDHN Cc1ccc(SCCNCc2ccc(C#N)s2)cc1 ZINC000176942871 335341872 /nfs/dbraw/zinc/34/18/72/335341872.db2.gz IZPMEGOSEALNPY-UHFFFAOYSA-N 0 3 288.441 3.810 20 30 CHEDHN Cc1ccc(CNCc2cc(C#N)cs2)c(C)c1 ZINC000177687027 335379202 /nfs/dbraw/zinc/37/92/02/335379202.db2.gz HCOOFIXWLVBCIT-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN C[C@H](CNCc1cc(C#N)cs1)Sc1ccccc1 ZINC000177707426 335380585 /nfs/dbraw/zinc/38/05/85/335380585.db2.gz FXYJIMQNDCHUGF-GFCCVEGCSA-N 0 3 288.441 3.890 20 30 CHEDHN Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1F ZINC000577665830 335387200 /nfs/dbraw/zinc/38/72/00/335387200.db2.gz FVBUZNNCWJKVTM-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN CCC[C@H](CN1CCC(C#N)CC1)c1ccccc1 ZINC000179924777 335532673 /nfs/dbraw/zinc/53/26/73/335532673.db2.gz CKJUYTYYMWIIRN-QGZVFWFLSA-N 0 3 256.393 3.806 20 30 CHEDHN C[C@H](NCC1(C#N)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000578708063 335665055 /nfs/dbraw/zinc/66/50/55/335665055.db2.gz UTONOAHLWHFTLT-GARJFASQSA-N 0 3 280.824 3.787 20 30 CHEDHN C=CCOCCN[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000380430301 335984975 /nfs/dbraw/zinc/98/49/75/335984975.db2.gz MARBUOIEKOWYBS-OAHLLOKOSA-N 0 3 277.408 3.575 20 30 CHEDHN CC(C)C1(NCC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000581620649 336114038 /nfs/dbraw/zinc/11/40/38/336114038.db2.gz GRKBMFNJDYOFQZ-UHFFFAOYSA-N 0 3 297.320 3.715 20 30 CHEDHN C=CC(C)(C)CNCc1cnc(C(C)(C)C)s1 ZINC000384909591 336134109 /nfs/dbraw/zinc/13/41/09/336134109.db2.gz BMWOWAHNYPDZAV-UHFFFAOYSA-N 0 3 252.427 3.742 20 30 CHEDHN CSCC1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000385369658 336144856 /nfs/dbraw/zinc/14/48/56/336144856.db2.gz KLWPEZXBBFWFKD-UHFFFAOYSA-N 0 3 292.423 3.709 20 30 CHEDHN C=C(C)CCN[C@H](c1ccccc1)c1ccccn1 ZINC000386934936 336182511 /nfs/dbraw/zinc/18/25/11/336182511.db2.gz UOAMYOZZJXJSRR-QGZVFWFLSA-N 0 3 252.361 3.727 20 30 CHEDHN Cc1cc(CN[C@H](C)c2ccc3n[nH]cc3c2)ccc1C#N ZINC000353104660 533732911 /nfs/dbraw/zinc/73/29/11/533732911.db2.gz WVUFLYYCSGQHTN-CYBMUJFWSA-N 0 3 290.370 3.594 20 30 CHEDHN COc1cc(CN[C@H]2C[C@H](C)c3ccccc32)ccc1C#N ZINC000353608276 533909564 /nfs/dbraw/zinc/90/95/64/533909564.db2.gz IIFYWYACBLRCIT-UGSOOPFHSA-N 0 3 292.382 3.905 20 30 CHEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCCSCC#N ZINC000354827155 534058967 /nfs/dbraw/zinc/05/89/67/534058967.db2.gz GNLNBFZSUDDDFZ-CHWSQXEVSA-N 0 3 292.423 3.780 20 30 CHEDHN N#CCC[C@H](NC/C=C/c1ccncc1)c1ccccc1 ZINC000487576211 518196342 /nfs/dbraw/zinc/19/63/42/518196342.db2.gz SVVUQXCOQNZDKG-QWNKOJSDSA-N 0 3 277.371 3.729 20 30 CHEDHN CCOc1ccc(O)c(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000263703862 521154775 /nfs/dbraw/zinc/15/47/75/521154775.db2.gz RTJOOXGQWIXTPL-CYBMUJFWSA-N 0 3 296.370 3.513 20 30 CHEDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000263703862 521154786 /nfs/dbraw/zinc/15/47/86/521154786.db2.gz RTJOOXGQWIXTPL-CYBMUJFWSA-N 0 3 296.370 3.513 20 30 CHEDHN CCOc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000037678716 521370160 /nfs/dbraw/zinc/37/01/60/521370160.db2.gz HRZMTUBMNFFLJI-AWEZNQCLSA-N 0 3 280.371 3.808 20 30 CHEDHN CC[C@@H](N[C@@H](COC)c1ccccc1)c1ccc(C#N)cc1 ZINC000278665342 522922435 /nfs/dbraw/zinc/92/24/35/522922435.db2.gz IZHYIOWZIZBXMP-MOPGFXCFSA-N 0 3 294.398 3.987 20 30 CHEDHN CC[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(C#N)cc1 ZINC000278358921 522951840 /nfs/dbraw/zinc/95/18/40/522951840.db2.gz BHNHSVPQDCCLRH-MSOLQXFVSA-N 0 3 292.382 3.992 20 30 CHEDHN COCc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000088567400 522994070 /nfs/dbraw/zinc/99/40/70/522994070.db2.gz GVMFHVARFPCCGU-CQSZACIVSA-N 0 3 280.371 3.555 20 30 CHEDHN COc1ccc(CN(C)[C@@H](C)c2cccs2)cc1C#N ZINC000087833266 524009545 /nfs/dbraw/zinc/00/95/45/524009545.db2.gz HTUXCZZTVHYAMN-LBPRGKRZSA-N 0 3 286.400 3.821 20 30 CHEDHN CCc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000276158791 524070241 /nfs/dbraw/zinc/07/02/41/524070241.db2.gz CZWFTCMFVDYAPM-AWEZNQCLSA-N 0 3 264.372 3.971 20 30 CHEDHN C[C@@H]1CCC[C@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000341224766 524389885 /nfs/dbraw/zinc/38/98/85/524389885.db2.gz PSAONJQXZGJKCU-ZBFHGGJFSA-N 0 3 281.403 3.821 20 30 CHEDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000036991946 525365401 /nfs/dbraw/zinc/36/54/01/525365401.db2.gz QABSILZTXCHSQM-KBPBESRZSA-N 0 3 280.371 3.984 20 30 CHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCC2 ZINC000037748788 525451839 /nfs/dbraw/zinc/45/18/39/525451839.db2.gz YDLWAWXOEAADJQ-AWEZNQCLSA-N 0 3 276.383 3.898 20 30 CHEDHN COc1ccc2c(c1)CCC[C@H]2NCc1ccc(C#N)cc1 ZINC000299441057 525523558 /nfs/dbraw/zinc/52/35/58/525523558.db2.gz WVGNONGFBIHPLN-LJQANCHMSA-N 0 3 292.382 3.734 20 30 CHEDHN C=CCC[C@@H](NCCc1cccnc1OC)c1ccco1 ZINC000353541222 527447080 /nfs/dbraw/zinc/44/70/80/527447080.db2.gz RCBCUHYWWWYRQO-OAHLLOKOSA-N 0 3 286.375 3.523 20 30 CHEDHN C=CCC[C@@H](NCCc1cscn1)c1ccco1 ZINC000353623459 527447170 /nfs/dbraw/zinc/44/71/70/527447170.db2.gz RFECEONNIHUGEM-CYBMUJFWSA-N 0 3 262.378 3.576 20 30 CHEDHN CCCN(Cc1ccc(C#N)o1)[C@H]1C[C@H](OCC)C1(C)C ZINC000353749571 528135723 /nfs/dbraw/zinc/13/57/23/528135723.db2.gz VNVKNHJWZXLURD-HOTGVXAUSA-N 0 3 290.407 3.567 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)C1CCC1 ZINC000356142186 528769933 /nfs/dbraw/zinc/76/99/33/528769933.db2.gz WGOKILWLPSVWQE-UHFFFAOYSA-N 0 3 282.309 3.951 20 30 CHEDHN CC[C@H](c1ccccc1OC)N(C)CCCSCC#N ZINC000347551006 529184293 /nfs/dbraw/zinc/18/42/93/529184293.db2.gz APCNWHFGEMLEQQ-OAHLLOKOSA-N 0 3 292.448 3.725 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734572 607015005 /nfs/dbraw/zinc/01/50/05/607015005.db2.gz RLWICEMLVMREFC-CJNGLKHVSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734572 607015007 /nfs/dbraw/zinc/01/50/07/607015007.db2.gz RLWICEMLVMREFC-CJNGLKHVSA-N 0 3 299.422 3.652 20 30 CHEDHN C#C[C@H](N[C@H]1CCC[C@H](OC)C1)c1ccc(Cl)cc1 ZINC000811517510 1117821293 /nfs/dbraw/zinc/82/12/93/1117821293.db2.gz UQWCWSLQLQSNJA-JYJNAYRXSA-N 0 3 277.795 3.562 20 30 CHEDHN N#Cc1ccc(CN(C2CC2)C2CCCC2)c(F)c1 ZINC000064809184 1117877512 /nfs/dbraw/zinc/87/75/12/1117877512.db2.gz SXWMWJFSCZJCIH-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN CC#CCN[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000119407773 1118093167 /nfs/dbraw/zinc/09/31/67/1118093167.db2.gz OFQAZMVGACANBY-GFCCVEGCSA-N 0 3 270.401 3.792 20 30 CHEDHN C=CCCCCCCCNCc1cn(C)nc1Cl ZINC001202666754 1125495489 /nfs/dbraw/zinc/49/54/89/1125495489.db2.gz NGXQUDREOTUCDD-UHFFFAOYSA-N 0 3 269.820 3.690 20 30 CHEDHN CCS[C@H]1CC[C@H](N(C)Cc2ccccc2C#N)C1 ZINC000076069623 1120275805 /nfs/dbraw/zinc/27/58/05/1120275805.db2.gz PWVWTDCGTSMSFI-HOTGVXAUSA-N 0 3 274.433 3.664 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1csc(COC)n1 ZINC000657529388 1120490113 /nfs/dbraw/zinc/49/01/13/1120490113.db2.gz VFXRFPHVCVMKED-TZMCWYRMSA-N 0 3 280.437 3.514 20 30 CHEDHN C=C[C@@H](C)N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000675933409 1121388360 /nfs/dbraw/zinc/38/83/60/1121388360.db2.gz DLTNWLYYBDHLNT-ZWNOBZJWSA-N 0 3 273.298 3.557 20 30 CHEDHN CC#CCN1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176664793 1121671167 /nfs/dbraw/zinc/67/11/67/1121671167.db2.gz NZSRCRGYVJPNLO-AWEZNQCLSA-N 0 3 267.825 3.822 20 30 CHEDHN CCc1cccc(Cl)c1CNCC(C)(C)CC#N ZINC001178922450 1121830494 /nfs/dbraw/zinc/83/04/94/1121830494.db2.gz WUCBHNMRTHSHOU-UHFFFAOYSA-N 0 3 264.800 3.932 20 30 CHEDHN CC[C@H](Cc1ccccc1)N(CC)CC1(C#N)CC1 ZINC000501540496 1121986459 /nfs/dbraw/zinc/98/64/59/1121986459.db2.gz PTKBIEPDJVHDRI-MRXNPFEDSA-N 0 3 256.393 3.633 20 30 CHEDHN C#CCN(Cc1cc(OC)cc(C(F)(F)F)c1)C(C)C ZINC001184115560 1122257396 /nfs/dbraw/zinc/25/73/96/1122257396.db2.gz IQCNZVYQZMFYNF-UHFFFAOYSA-N 0 3 285.309 3.558 20 30 CHEDHN C=CCN(Cc1cccc(Br)c1C)C1CC1 ZINC001192514552 1122649309 /nfs/dbraw/zinc/64/93/09/1122649309.db2.gz HTGPOPKVLZKCLN-UHFFFAOYSA-N 0 3 280.209 3.908 20 30 CHEDHN COc1ccc([C@@H](C)CN(CCC#N)CC(C)C)cc1 ZINC000775643968 1122854092 /nfs/dbraw/zinc/85/40/92/1122854092.db2.gz WRPBNTKGWZOKPY-HNNXBMFYSA-N 0 3 274.408 3.670 20 30 CHEDHN N#Cc1ccc(CN2CC=CC23CCCCC3)s1 ZINC001198800501 1123011582 /nfs/dbraw/zinc/01/15/82/1123011582.db2.gz MBEAVUAAOSYANR-UHFFFAOYSA-N 0 3 258.390 3.694 20 30 CHEDHN CCCCCCCN1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001201761846 1123148358 /nfs/dbraw/zinc/14/83/58/1123148358.db2.gz SBQSGLCWFVQRIW-LSDHHAIUSA-N 0 3 251.414 3.790 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1cccnc1Cl ZINC000850503882 1123276195 /nfs/dbraw/zinc/27/61/95/1123276195.db2.gz OSLGISWXFGZDDK-NSHDSACASA-N 0 3 270.829 3.695 20 30 CHEDHN CC1(C)CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000446064721 1124108439 /nfs/dbraw/zinc/10/84/39/1124108439.db2.gz WJVFUMCCJWYYNZ-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CC[C@H]1N(Cc2ccc(C#N)o2)CCCC1(C)C ZINC000446828671 1124124465 /nfs/dbraw/zinc/12/44/65/1124124465.db2.gz XQWFMFAPYWJVMC-OAHLLOKOSA-N 0 3 258.365 3.718 20 30 CHEDHN C=C(CC)CNCc1cccc(OCC)c1OC(F)F ZINC000449729654 1124847519 /nfs/dbraw/zinc/84/75/19/1124847519.db2.gz BFONXIFHBOCXBI-UHFFFAOYSA-N 0 3 285.334 3.743 20 30 CHEDHN C#C[C@H](NC[C@H](C)CCC#N)c1ccc(Cl)cc1 ZINC000877540946 1125042716 /nfs/dbraw/zinc/04/27/16/1125042716.db2.gz IXJDWXJEZWHYLE-DOMZBBRYSA-N 0 3 260.768 3.544 20 30 CHEDHN N#CC1(CCN2CC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000839533140 1132222298 /nfs/dbraw/zinc/22/22/98/1132222298.db2.gz FVFRHCSRCNZVNX-GFCCVEGCSA-N 0 3 274.330 3.735 20 30 CHEDHN C=CCCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000532780394 1125579483 /nfs/dbraw/zinc/57/94/83/1125579483.db2.gz LCQZWUHINYCTFX-CYBMUJFWSA-N 0 3 265.784 3.759 20 30 CHEDHN CC[C@H](C#N)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000249117487 1125678637 /nfs/dbraw/zinc/67/86/37/1125678637.db2.gz OQFBZYXVCSTHSV-UKRRQHHQSA-N 0 3 271.408 3.761 20 30 CHEDHN CC#CCN(C)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000645262137 1129493346 /nfs/dbraw/zinc/49/33/46/1129493346.db2.gz HKGWGWROOBTMOK-LLVKDONJSA-N 0 3 271.282 3.601 20 30 CHEDHN CC1(C)CC(N(CCC#N)C2CCCC2)CC(C)(C)N1O ZINC001170003126 1129897664 /nfs/dbraw/zinc/89/76/64/1129897664.db2.gz ZHSZBKANDIKIRA-UHFFFAOYSA-N 0 3 293.455 3.555 20 30 CHEDHN C=C(C)COCCNCc1ccc(F)cc1C(F)(F)F ZINC000157620233 1126709962 /nfs/dbraw/zinc/70/99/62/1126709962.db2.gz OHOAJXBRELQYGH-UHFFFAOYSA-N 0 3 291.288 3.527 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1F ZINC000483114849 1126768590 /nfs/dbraw/zinc/76/85/90/1126768590.db2.gz LMMMUPOPSLNHCO-INIZCTEOSA-N 0 3 298.336 3.826 20 30 CHEDHN C=CCCCNc1ccc([C@@H]2CCCCN2C)cn1 ZINC001170298915 1130476584 /nfs/dbraw/zinc/47/65/84/1130476584.db2.gz VHMVUMNUAOWQSA-HNNXBMFYSA-N 0 3 259.397 3.617 20 30 CHEDHN C(#Cc1ccccc1)CN1CCC[C@H]1c1ccccc1 ZINC000483535053 1126791808 /nfs/dbraw/zinc/79/18/08/1126791808.db2.gz DVSDPLIRCGXTLS-IBGZPJMESA-N 0 3 261.368 3.875 20 30 CHEDHN CC[C@@H](C)CN(C)Cc1ccc(C#N)cc1Cl ZINC000162865442 1126792564 /nfs/dbraw/zinc/79/25/64/1126792564.db2.gz ZWGXNDZVLAEONR-LLVKDONJSA-N 0 3 250.773 3.690 20 30 CHEDHN Cc1cc([C@@H](C)NCc2ccc(C#N)c(F)c2)ccc1F ZINC000484080020 1126809835 /nfs/dbraw/zinc/80/98/35/1126809835.db2.gz MDMWZMHYYRVVMA-GFCCVEGCSA-N 0 3 286.325 3.996 20 30 CHEDHN Cc1cc(Cl)ccc1CNCc1cccc(C#N)c1 ZINC000128889111 1126813351 /nfs/dbraw/zinc/81/33/51/1126813351.db2.gz HKNQZWITVLLJSN-UHFFFAOYSA-N 0 3 270.763 3.810 20 30 CHEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccccn1 ZINC000179465401 1126828195 /nfs/dbraw/zinc/82/81/95/1126828195.db2.gz GCLCVUJLEJFYEO-CQSZACIVSA-N 0 3 297.427 3.537 20 30 CHEDHN N#CCCCN[C@H](COc1ccccc1F)c1ccccc1 ZINC000180327160 1126842599 /nfs/dbraw/zinc/84/25/99/1126842599.db2.gz BUJMJFWZPLKFIU-QGZVFWFLSA-N 0 3 298.361 3.839 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000924798382 1126852301 /nfs/dbraw/zinc/85/23/01/1126852301.db2.gz NKJIWRKNYKLNJJ-VXGBXAGGSA-N 0 3 275.352 3.574 20 30 CHEDHN CC(C)(C)[C@H](NCCCC#N)c1ccc(F)cc1F ZINC000181629930 1126858538 /nfs/dbraw/zinc/85/85/38/1126858538.db2.gz KGXOMPKJZODMKY-CQSZACIVSA-N 0 3 266.335 3.945 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)n1cc(CNC(C)(C)C)nn1 ZINC000905057037 1126888914 /nfs/dbraw/zinc/88/89/14/1126888914.db2.gz HOZJQHOYBFUYEU-QGZVFWFLSA-N 0 3 298.434 3.526 20 30 CHEDHN CC1/C(=C\c2ccc(C3CCCC3)cc2)C(=O)c2ncnn21 ZINC000905083453 1126889313 /nfs/dbraw/zinc/88/93/13/1126889313.db2.gz DJJQWKQSWUZYGT-SEJMYLSOSA-N 0 3 293.370 3.777 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000668492788 1126917719 /nfs/dbraw/zinc/91/77/19/1126917719.db2.gz GFFWEIPCXRESNF-AWEZNQCLSA-N 0 3 273.424 3.562 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCCOc2ccc(F)cc21 ZINC000924827532 1127042966 /nfs/dbraw/zinc/04/29/66/1127042966.db2.gz UGURCZCOIKNYMO-DOMZBBRYSA-N 0 3 290.382 3.957 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCCOc2ccc(F)cc21 ZINC000924827544 1127042434 /nfs/dbraw/zinc/04/24/34/1127042434.db2.gz UGURCZCOIKNYMO-WFASDCNBSA-N 0 3 290.382 3.957 20 30 CHEDHN C=C(CN[C@@H](C)c1ccnn1C1CCC1)c1ccccc1 ZINC000924841726 1127084303 /nfs/dbraw/zinc/08/43/03/1127084303.db2.gz LXFHDKNSNCYIOH-HNNXBMFYSA-N 0 3 281.403 3.972 20 30 CHEDHN C=CCSc1nc2ccccc2n1CN(CC)C1CC1 ZINC000912854128 1127115230 /nfs/dbraw/zinc/11/52/30/1127115230.db2.gz BJKICRPTEJEBQN-UHFFFAOYSA-N 0 3 287.432 3.756 20 30 CHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC(C)(C)COC ZINC000348872287 1127132264 /nfs/dbraw/zinc/13/22/64/1127132264.db2.gz CBSGRISGWRAHOR-UHFFFAOYSA-N 0 3 293.455 3.515 20 30 CHEDHN C=CC[C@@H](CO)N[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000349757038 1127159552 /nfs/dbraw/zinc/15/95/52/1127159552.db2.gz JTUZWFCCKAJWLR-AAEUAGOBSA-N 0 3 286.202 3.507 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cscn1 ZINC000571741950 1127166760 /nfs/dbraw/zinc/16/67/60/1127166760.db2.gz KZCCFPNHXVOLAZ-HIFRSBDPSA-N 0 3 272.417 3.981 20 30 CHEDHN CCCCCCC[C@H](C)C(=O)N1CCC2(CN(C)C2)CC1 ZINC001274928410 1127205446 /nfs/dbraw/zinc/20/54/46/1127205446.db2.gz GXAIERCGTZBZMA-INIZCTEOSA-N 0 3 294.483 3.537 20 30 CHEDHN CC1(C)C[C@@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 ZINC000572539944 1127221692 /nfs/dbraw/zinc/22/16/92/1127221692.db2.gz QDKRPTUSJVDCOI-SFHVURJKSA-N 0 3 291.398 3.926 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000589498403 1127223359 /nfs/dbraw/zinc/22/33/59/1127223359.db2.gz MCSUUHRNPPJOOI-OAHLLOKOSA-N 0 3 294.320 3.951 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)c1ccc(C)o1)c1ccco1 ZINC000285898003 1127246479 /nfs/dbraw/zinc/24/64/79/1127246479.db2.gz CPJBAFVZZJFHFD-KBPBESRZSA-N 0 3 275.348 3.512 20 30 CHEDHN CCc1nn(C)cc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000590069302 1127247766 /nfs/dbraw/zinc/24/77/66/1127247766.db2.gz RDVZLHHRAJLYPZ-SFHVURJKSA-N 0 3 296.418 3.507 20 30 CHEDHN C#CCCCCNCc1c(Cl)cccc1Cl ZINC000165939154 1127252984 /nfs/dbraw/zinc/25/29/84/1127252984.db2.gz PFWHQPXDRUPSJY-UHFFFAOYSA-N 0 3 256.176 3.887 20 30 CHEDHN Cc1nc(CNC2CCC(C)(C#N)CC2)nc2ccccc12 ZINC000572929966 1127261602 /nfs/dbraw/zinc/26/16/02/1127261602.db2.gz LFEYOAJWSVSHFD-UHFFFAOYSA-N 0 3 294.402 3.500 20 30 CHEDHN CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000590778419 1127271496 /nfs/dbraw/zinc/27/14/96/1127271496.db2.gz AXRLWIQOPBDHAB-QZTJIDSGSA-N 0 3 277.371 3.681 20 30 CHEDHN Cc1cccnc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353917202 1127277971 /nfs/dbraw/zinc/27/79/71/1127277971.db2.gz SZAPMBAMKOWXGF-QGZVFWFLSA-N 0 3 279.387 3.915 20 30 CHEDHN N#CC1(CCN2CCC(F)(F)CC2)CCCCC1 ZINC000591033963 1127282923 /nfs/dbraw/zinc/28/29/23/1127282923.db2.gz UCVNNXKULZRSTK-UHFFFAOYSA-N 0 3 256.340 3.582 20 30 CHEDHN C[C@H]1CCCC[C@H]1OCCN(C)Cc1ccc(C#N)cc1 ZINC000046054171 1127327730 /nfs/dbraw/zinc/32/77/30/1127327730.db2.gz BFSWONAKVSYZKF-MAUKXSAKSA-N 0 3 286.419 3.585 20 30 CHEDHN CCCOc1cccc(CNCc2ccc(CC#N)cc2)c1 ZINC000573919454 1127332422 /nfs/dbraw/zinc/33/24/22/1127332422.db2.gz LJDSYHDJZTTXSY-UHFFFAOYSA-N 0 3 294.398 3.831 20 30 CHEDHN CC(C)CC[C@H]1CCC[C@@H]1NCc1ccncc1C#N ZINC000592119397 1127335872 /nfs/dbraw/zinc/33/58/72/1127335872.db2.gz UZPRXXPKPVVLDO-PBHICJAKSA-N 0 3 271.408 3.648 20 30 CHEDHN Cc1ccc([C@H]2C[C@@H](C)N(Cc3ccncc3C#N)C2)cc1 ZINC000592116307 1127336121 /nfs/dbraw/zinc/33/61/21/1127336121.db2.gz ILBLBNMCYYQNIR-QAPCUYQASA-N 0 3 291.398 3.640 20 30 CHEDHN C[C@@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000592398755 1127372330 /nfs/dbraw/zinc/37/23/30/1127372330.db2.gz SSCIBOZNRVBICK-BNOWGMLFSA-N 0 3 290.382 3.694 20 30 CHEDHN C#Cc1cccc(CNCc2cccc(C(F)(F)F)c2)c1 ZINC001308435263 1127383155 /nfs/dbraw/zinc/38/31/55/1127383155.db2.gz IQRYWSGULFPQGV-UHFFFAOYSA-N 0 3 289.300 3.977 20 30 CHEDHN C=C[C@H](CO)N[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000289866343 1127385289 /nfs/dbraw/zinc/38/52/89/1127385289.db2.gz RFWSQKOYCUPHBM-RISCZKNCSA-N 0 3 299.386 3.515 20 30 CHEDHN COc1ccc([C@H](C)[C@H](C)NCC2(C#N)CCCC2)cc1 ZINC000593655154 1127392688 /nfs/dbraw/zinc/39/26/88/1127392688.db2.gz ZWTQJBOMOUDIGU-CABCVRRESA-N 0 3 286.419 3.861 20 30 CHEDHN N#CC1(CN[C@H]2CCCc3ccccc3C2)CCCC1 ZINC000593654943 1127392875 /nfs/dbraw/zinc/39/28/75/1127392875.db2.gz RPSJEAXKIBCZQA-KRWDZBQOSA-N 0 3 268.404 3.608 20 30 CHEDHN C[C@@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCCC1 ZINC000593653435 1127393014 /nfs/dbraw/zinc/39/30/14/1127393014.db2.gz KTHWKGCAHFRRJT-ZDUSSCGKSA-N 0 3 276.811 3.945 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@H](c3cccnc3)C2)CCCC1 ZINC000593654333 1127394282 /nfs/dbraw/zinc/39/42/82/1127394282.db2.gz AZDWKNLSZDALIN-RDJZCZTQSA-N 0 3 283.419 3.781 20 30 CHEDHN CC1(C)C[C@H](N[C@H]2CC[C@@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593674552 1127394604 /nfs/dbraw/zinc/39/46/04/1127394604.db2.gz XHYYDLCILAXTIA-ZLDLUXBVSA-N 0 3 288.366 3.710 20 30 CHEDHN Cc1ccc(-c2ncc(CNCCCC#N)s2)cc1C ZINC000594502182 1127418845 /nfs/dbraw/zinc/41/88/45/1127418845.db2.gz YZPQIWWOYNTPDY-UHFFFAOYSA-N 0 3 285.416 3.820 20 30 CHEDHN C[C@H](CNCC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000594981707 1127443345 /nfs/dbraw/zinc/44/33/45/1127443345.db2.gz SVTYCBCUUBILNE-CQSZACIVSA-N 0 3 274.383 3.993 20 30 CHEDHN Cc1nc([C@@H](C)NCCc2ccc(C#N)cc2)c(C)s1 ZINC000595055895 1127446280 /nfs/dbraw/zinc/44/62/80/1127446280.db2.gz MCPZWLXJVUZBBP-LLVKDONJSA-N 0 3 285.416 3.525 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1ccncc1Cl ZINC000595061078 1127447312 /nfs/dbraw/zinc/44/73/12/1127447312.db2.gz YEUWYLIWTGDGDV-NSHDSACASA-N 0 3 270.829 3.695 20 30 CHEDHN C=CCCSCCN[C@H](C)c1cccc(F)c1F ZINC000595059180 1127447364 /nfs/dbraw/zinc/44/73/64/1127447364.db2.gz MCYUVDCVVKRBFW-LLVKDONJSA-N 0 3 271.376 3.925 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1ccc(OC)cc1F ZINC000595059807 1127447709 /nfs/dbraw/zinc/44/77/09/1127447709.db2.gz PECPDSKPEJJGAS-LBPRGKRZSA-N 0 3 283.412 3.794 20 30 CHEDHN CC[C@H](N[C@H](c1ccccc1)[C@H](C)O)c1ccc(C#N)cc1 ZINC000595103849 1127453073 /nfs/dbraw/zinc/45/30/73/1127453073.db2.gz OCOKZDKKNUXEGL-JVPBZIDWSA-N 0 3 294.398 3.721 20 30 CHEDHN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccc(C#N)cc1F ZINC000595090728 1127454291 /nfs/dbraw/zinc/45/42/91/1127454291.db2.gz FMCLPNAXFKVOGR-NOZJJQNGSA-N 0 3 282.309 3.639 20 30 CHEDHN C[C@H]1CC[C@]2(CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC000359306544 1127458184 /nfs/dbraw/zinc/45/81/84/1127458184.db2.gz XFHDKDDUPGTZDX-GUYCJALGSA-N 0 3 272.367 3.709 20 30 CHEDHN N#Cc1ccc(CCNC2(c3nccs3)CCCC2)cc1 ZINC000595381849 1127461610 /nfs/dbraw/zinc/46/16/10/1127461610.db2.gz KSJDWLVWTKNRDG-UHFFFAOYSA-N 0 3 297.427 3.616 20 30 CHEDHN CC[C@H](NCCc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000595430362 1127462989 /nfs/dbraw/zinc/46/29/89/1127462989.db2.gz JKQKMHWFQAYSSC-HNNXBMFYSA-N 0 3 285.416 3.607 20 30 CHEDHN CCCOc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595623525 1127468506 /nfs/dbraw/zinc/46/85/06/1127468506.db2.gz SGJXAFNGWXTUSN-HNNXBMFYSA-N 0 3 272.392 3.601 20 30 CHEDHN C[C@@H]1CC[C@]2(CCN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000359552282 1127467360 /nfs/dbraw/zinc/46/73/60/1127467360.db2.gz GAKFYKHYGAZWGG-DYVFJYSZSA-N 0 3 272.367 3.709 20 30 CHEDHN CC(C)c1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595617278 1127467666 /nfs/dbraw/zinc/46/76/66/1127467666.db2.gz RCJTZDKUXDXTNR-HNNXBMFYSA-N 0 3 256.393 3.936 20 30 CHEDHN C[C@@H]1CC[C@@]2(CCN(Cc3cccc(C#N)c3F)C2)C1 ZINC000359565473 1127467917 /nfs/dbraw/zinc/46/79/17/1127467917.db2.gz UWQFGOYFVDUHLL-CXAGYDPISA-N 0 3 272.367 3.709 20 30 CHEDHN C[C@@H]1CC[C@@]2(CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC000359566494 1127468010 /nfs/dbraw/zinc/46/80/10/1127468010.db2.gz VUGVEGVROMALRA-CXAGYDPISA-N 0 3 272.367 3.709 20 30 CHEDHN CC(C)(C#N)c1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000595619451 1127468842 /nfs/dbraw/zinc/46/88/42/1127468842.db2.gz BGHHHJMHJXLUFM-OAHLLOKOSA-N 0 3 281.403 3.613 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000595602064 1127469549 /nfs/dbraw/zinc/46/95/49/1127469549.db2.gz GZYVKJAQOMBXQS-XJKSGUPXSA-N 0 3 299.374 3.691 20 30 CHEDHN COc1ccc2c(c1)CCN(CCCCC(C)(C)C#N)C2 ZINC000595760738 1127474324 /nfs/dbraw/zinc/47/43/24/1127474324.db2.gz XCLHETJEOVBUJO-UHFFFAOYSA-N 0 3 286.419 3.773 20 30 CHEDHN CCCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000597172455 1127529830 /nfs/dbraw/zinc/52/98/30/1127529830.db2.gz ACAUPDWESCNTMK-INIZCTEOSA-N 0 3 286.419 3.991 20 30 CHEDHN COCc1ccccc1/C=C(\C)CN1CCC[C@@H](CC#N)C1 ZINC000597175315 1127532702 /nfs/dbraw/zinc/53/27/02/1127532702.db2.gz AVKJEMXREXWMFO-MOKGIYGOSA-N 0 3 298.430 3.862 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)CS1 ZINC000597224753 1127536377 /nfs/dbraw/zinc/53/63/77/1127536377.db2.gz JMDWLUIOUFEXQN-KGLIPLIRSA-N 0 3 280.481 3.970 20 30 CHEDHN C[C@H](c1cc(F)ccc1F)N(C)C[C@@H](C)CCC#N ZINC000602437490 1127578739 /nfs/dbraw/zinc/57/87/39/1127578739.db2.gz AHHLNHHFBCNTJI-NWDGAFQWSA-N 0 3 266.335 3.897 20 30 CHEDHN C[C@@H](CCC#N)CN[C@H](c1cccc(F)c1)c1ccccn1 ZINC000602578342 1127596213 /nfs/dbraw/zinc/59/62/13/1127596213.db2.gz DGYSHQKCKQEKLA-KBXCAEBGSA-N 0 3 297.377 3.840 20 30 CHEDHN COc1ccc([C@@H](NC[C@H](C)CCC#N)c2ccco2)cc1 ZINC000602686351 1127604375 /nfs/dbraw/zinc/60/43/75/1127604375.db2.gz PLTHPBXZANLIQV-RDTXWAMCSA-N 0 3 298.386 3.907 20 30 CHEDHN CC(C)Oc1ccccc1[C@H](C)NCC1(CC#N)CC1 ZINC000602802991 1127615356 /nfs/dbraw/zinc/61/53/56/1127615356.db2.gz UHAIADJKNRPJLC-AWEZNQCLSA-N 0 3 272.392 3.818 20 30 CHEDHN N#CCC1(CN2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000602830184 1127616283 /nfs/dbraw/zinc/61/62/83/1127616283.db2.gz AIULLSREEPSDSH-CQSZACIVSA-N 0 3 274.795 3.823 20 30 CHEDHN N#CC(C(=O)c1ccsc1)c1cc(C(F)(F)F)ccn1 ZINC000362141318 1127614385 /nfs/dbraw/zinc/61/43/85/1127614385.db2.gz WXWMPKRENHPQNP-JTQLQIEISA-N 0 3 296.273 3.652 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000602880964 1127619087 /nfs/dbraw/zinc/61/90/87/1127619087.db2.gz PCPJNBFVFDKTTN-QGZVFWFLSA-N 0 3 294.402 3.548 20 30 CHEDHN CCn1nc(C)c(CN(C)CCCCC(C)(C)C#N)c1C ZINC000602927656 1127620487 /nfs/dbraw/zinc/62/04/87/1127620487.db2.gz XSYJLWGJJZSIIE-UHFFFAOYSA-N 0 3 290.455 3.672 20 30 CHEDHN CC[C@@](C)(NCc1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000602924224 1127622528 /nfs/dbraw/zinc/62/25/28/1127622528.db2.gz MKCKZPCJVGCVCW-QGZVFWFLSA-N 0 3 283.350 3.507 20 30 CHEDHN Cc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1C#N ZINC000599315676 1127667396 /nfs/dbraw/zinc/66/73/96/1127667396.db2.gz PJAWASSVHOIBFE-LJQANCHMSA-N 0 3 292.382 3.909 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C)c(C#N)c2)cc1 ZINC000599351496 1127669241 /nfs/dbraw/zinc/66/92/41/1127669241.db2.gz YZUSNKHVKFHQDU-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000599635513 1127684080 /nfs/dbraw/zinc/68/40/80/1127684080.db2.gz RIHPFLBTDIUWDC-ABAIWWIYSA-N 0 3 294.320 3.756 20 30 CHEDHN C#CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000297031668 1127688067 /nfs/dbraw/zinc/68/80/67/1127688067.db2.gz UUYNECAZRLWJOG-IRXDYDNUSA-N 0 3 277.367 3.734 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000604016873 1127689164 /nfs/dbraw/zinc/68/91/64/1127689164.db2.gz KKHDOCOLZIBYRK-IBGZPJMESA-N 0 3 294.373 3.904 20 30 CHEDHN C=C(CNCc1cc(C)ccc1F)c1ccccc1 ZINC000604891810 1127721686 /nfs/dbraw/zinc/72/16/86/1127721686.db2.gz YJBYZEQMVOCNBN-UHFFFAOYSA-N 0 3 255.336 3.937 20 30 CHEDHN C=CCCCN1CCc2cc(OCC)c(OCC)cc2C1 ZINC000605149603 1127729919 /nfs/dbraw/zinc/72/99/19/1127729919.db2.gz BDHQLNXZGFEXAE-UHFFFAOYSA-N 0 3 289.419 3.808 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC1CC1 ZINC000409446040 1127769386 /nfs/dbraw/zinc/76/93/86/1127769386.db2.gz WQBAPIRTQJAUBG-IRXDYDNUSA-N 0 3 254.377 3.558 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCCCO1 ZINC000594040082 1127778213 /nfs/dbraw/zinc/77/82/13/1127778213.db2.gz CZGZPNQUTYTUEV-HZPDHXFCSA-N 0 3 292.810 3.649 20 30 CHEDHN CCc1cc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)ccc1C#N ZINC001238761248 1131241307 /nfs/dbraw/zinc/24/13/07/1131241307.db2.gz SUXOAPKIBZNIEB-IYBDPMFKSA-N 0 3 290.357 3.598 20 30 CHEDHN COC[C@H](NCCC1(C#N)CCCCC1)c1ccccc1 ZINC000411459329 1127861233 /nfs/dbraw/zinc/86/12/33/1127861233.db2.gz RSDYNSLLBHAURK-KRWDZBQOSA-N 0 3 286.419 3.828 20 30 CHEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cncc(F)c1 ZINC000411509753 1127862538 /nfs/dbraw/zinc/86/25/38/1127862538.db2.gz XDTTXKVVRHBKJB-ZDUSSCGKSA-N 0 3 275.371 3.735 20 30 CHEDHN C[C@H](CCC#N)N(C)Cc1ccc(F)c(Cl)c1 ZINC000411634880 1127867689 /nfs/dbraw/zinc/86/76/89/1127867689.db2.gz MGQUDZUBJQDBAT-SNVBAGLBSA-N 0 3 254.736 3.603 20 30 CHEDHN CC(C)c1cccc2c1CCN([C@@H](C)CCC#N)C2 ZINC000411624567 1127868054 /nfs/dbraw/zinc/86/80/54/1127868054.db2.gz UMMIECWOZAKOAA-AWEZNQCLSA-N 0 3 256.393 3.860 20 30 CHEDHN C[C@H](CCC#N)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000411626230 1127868289 /nfs/dbraw/zinc/86/82/89/1127868289.db2.gz ZGLSTIZFGHTBKE-GHMZBOCLSA-N 0 3 262.319 3.589 20 30 CHEDHN C[C@H](CCC#N)N1CCC(F)(c2ccccc2)CC1 ZINC000411678688 1127868641 /nfs/dbraw/zinc/86/86/41/1127868641.db2.gz BXSXLMIISFMAHK-CQSZACIVSA-N 0 3 260.356 3.639 20 30 CHEDHN C[C@H]1CCCCN1c1cccc(NCCCCC#N)n1 ZINC001168429577 1127922122 /nfs/dbraw/zinc/92/21/22/1127922122.db2.gz VBQIUVYFSCFBOW-AWEZNQCLSA-N 0 3 272.396 3.566 20 30 CHEDHN C#CC[C@H](NCc1ccc(F)cc1C)c1ccccc1 ZINC000784266093 1127925640 /nfs/dbraw/zinc/92/56/40/1127925640.db2.gz PKIAVOCLEVFBHF-SFHVURJKSA-N 0 3 267.347 3.988 20 30 CHEDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(C)(C)C#N)[C@@H]2C ZINC000543846279 1127949752 /nfs/dbraw/zinc/94/97/52/1127949752.db2.gz ADGKKOFJMMXBQD-ZIAGYGMSSA-N 0 3 286.419 3.943 20 30 CHEDHN C=CCN(CCCC(=O)OC(C)(C)C)Cc1cccs1 ZINC000544070890 1127957333 /nfs/dbraw/zinc/95/73/33/1127957333.db2.gz NNRXSECHSDFINT-UHFFFAOYSA-N 0 3 295.448 3.858 20 30 CHEDHN N#Cc1cncc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000929623513 1127985945 /nfs/dbraw/zinc/98/59/45/1127985945.db2.gz XZHYBXFFSSBYBT-MRXNPFEDSA-N 0 3 297.789 3.596 20 30 CHEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)sc1C ZINC001233700615 1128024547 /nfs/dbraw/zinc/02/45/47/1128024547.db2.gz PRCCSUBCIHGUCS-UHFFFAOYSA-N 0 3 270.401 3.869 20 30 CHEDHN C=CC1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000541534038 1128026612 /nfs/dbraw/zinc/02/66/12/1128026612.db2.gz GRKFZSQRXDZVEO-UHFFFAOYSA-N 0 3 287.451 3.866 20 30 CHEDHN Cc1cccc(C)c1CNC1(c2cccc(C#N)c2)CC1 ZINC000271758919 1128053820 /nfs/dbraw/zinc/05/38/20/1128053820.db2.gz HMJOSNGQDKUEKK-UHFFFAOYSA-N 0 3 276.383 3.954 20 30 CHEDHN COCc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271910681 1128077356 /nfs/dbraw/zinc/07/73/56/1128077356.db2.gz DOXZTLXGUUWARN-ZDUSSCGKSA-N 0 3 298.361 3.695 20 30 CHEDHN C=CCOCCCN(C)[C@H](C)c1ccccc1Cl ZINC000470720106 1128075383 /nfs/dbraw/zinc/07/53/83/1128075383.db2.gz PFECEVIEYDTORY-CYBMUJFWSA-N 0 3 267.800 3.926 20 30 CHEDHN CCOc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271939579 1128081811 /nfs/dbraw/zinc/08/18/11/1128081811.db2.gz OJYZLUIHBBOHJA-CYBMUJFWSA-N 0 3 298.361 3.947 20 30 CHEDHN Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)ccc1C#N ZINC000470948356 1128082831 /nfs/dbraw/zinc/08/28/31/1128082831.db2.gz SQWDPLVGCPPLNE-BXUZGUMPSA-N 0 3 282.309 3.639 20 30 CHEDHN Cc1cc(CNCc2cccc3cccnc32)ccc1C#N ZINC000443976764 1128108039 /nfs/dbraw/zinc/10/80/39/1128108039.db2.gz FFCGGJWIGFWMBR-UHFFFAOYSA-N 0 3 287.366 3.705 20 30 CHEDHN COc1ccc(C)cc1[C@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000924583115 1128106298 /nfs/dbraw/zinc/10/62/98/1128106298.db2.gz WURMLCWKJJHKBK-KBPBESRZSA-N 0 3 274.408 3.983 20 30 CHEDHN CCc1ccc(CNCc2ccc(C#N)c(C)c2)s1 ZINC000443976429 1128107521 /nfs/dbraw/zinc/10/75/21/1128107521.db2.gz FIWBFLBHLCFSEB-UHFFFAOYSA-N 0 3 270.401 3.780 20 30 CHEDHN CC[C@H](N[C@@H](C)CC(C)(C)C#N)c1c(C)noc1C ZINC000925637424 1128134949 /nfs/dbraw/zinc/13/49/49/1128134949.db2.gz LCOVJMBLVRWRNJ-GWCFXTLKSA-N 0 3 263.385 3.661 20 30 CHEDHN COC[C@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000926438176 1128172483 /nfs/dbraw/zinc/17/24/83/1128172483.db2.gz HYTNUPXNCUZRLC-WFASDCNBSA-N 0 3 294.826 3.945 20 30 CHEDHN N#CC1(CN[C@H]2CCOC23CCCCC3)CCCCC1 ZINC000926713766 1128189887 /nfs/dbraw/zinc/18/98/87/1128189887.db2.gz WJDALDMWSDOHSV-HNNXBMFYSA-N 0 3 276.424 3.542 20 30 CHEDHN Cc1ccc(CN[C@H]2CCCOc3ccccc32)cc1C#N ZINC000926963384 1128206984 /nfs/dbraw/zinc/20/69/84/1128206984.db2.gz DOSAIDKWGHGOFP-SFHVURJKSA-N 0 3 292.382 3.870 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H]1c1ccccn1 ZINC000929811050 1128288192 /nfs/dbraw/zinc/28/81/92/1128288192.db2.gz GIIYIRLSVYDAHD-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN N#Cc1cc(F)ccc1CN[C@H](Cc1ccccc1)C1CC1 ZINC000495485478 1128289477 /nfs/dbraw/zinc/28/94/77/1128289477.db2.gz WFLGJSURXVGVBF-LJQANCHMSA-N 0 3 294.373 3.808 20 30 CHEDHN Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1ccccc1[O-] ZINC000929975384 1128296563 /nfs/dbraw/zinc/29/65/63/1128296563.db2.gz GOJBQCNHRRTEIL-UHFFFAOYSA-N 0 3 280.371 3.513 20 30 CHEDHN Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccccc1[O-] ZINC000929975384 1128296567 /nfs/dbraw/zinc/29/65/67/1128296567.db2.gz GOJBQCNHRRTEIL-UHFFFAOYSA-N 0 3 280.371 3.513 20 30 CHEDHN C=CCc1cc(C[N@H+](C)CC2CCCC2)c([O-])c(OC)c1 ZINC000754720930 1128299041 /nfs/dbraw/zinc/29/90/41/1128299041.db2.gz WELJAOIZCVPNEF-UHFFFAOYSA-N 0 3 289.419 3.751 20 30 CHEDHN C=CCc1cc(C[N@@H+](C)CC2CCCC2)c([O-])c(OC)c1 ZINC000754720930 1128299044 /nfs/dbraw/zinc/29/90/44/1128299044.db2.gz WELJAOIZCVPNEF-UHFFFAOYSA-N 0 3 289.419 3.751 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC(F)(F)[C@@H](C)C1 ZINC000930511159 1128322288 /nfs/dbraw/zinc/32/22/88/1128322288.db2.gz AJJUDHJEFTURPB-ZDUSSCGKSA-N 0 3 278.346 3.652 20 30 CHEDHN N#Cc1cccc(C2(N[C@H]3CCc4cc(F)ccc43)CC2)c1 ZINC000272297497 1128325765 /nfs/dbraw/zinc/32/57/65/1128325765.db2.gz QTRUSYMSSJNMGW-SFHVURJKSA-N 0 3 292.357 3.964 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC(F)(F)C[C@@H]1C ZINC000931255911 1128354262 /nfs/dbraw/zinc/35/42/62/1128354262.db2.gz WAJQGGUYNUOYHP-ZDUSSCGKSA-N 0 3 278.346 3.795 20 30 CHEDHN C#CCCCCCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931803975 1128381643 /nfs/dbraw/zinc/38/16/43/1128381643.db2.gz ZYNNTNDVHJNWBQ-IBGZPJMESA-N 0 3 293.414 3.551 20 30 CHEDHN C[C@H](C/N=C/c1cc(Cl)ccc1[O-])[NH+]1CCCCCC1 ZINC000915979936 1128399879 /nfs/dbraw/zinc/39/98/79/1128399879.db2.gz LPGUJPKBTTVMOC-RNEAKCBISA-N 0 3 294.826 3.729 20 30 CHEDHN CC(C)(C#N)CCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932215350 1128400400 /nfs/dbraw/zinc/40/04/00/1128400400.db2.gz XRNZDYUMSSEATM-HNNXBMFYSA-N 0 3 284.403 3.962 20 30 CHEDHN Cc1cc(CN(C)CCOCc2ccccc2)ccc1C#N ZINC000488171261 1128438972 /nfs/dbraw/zinc/43/89/72/1128438972.db2.gz NYTYLEGIANHJLX-UHFFFAOYSA-N 0 3 294.398 3.515 20 30 CHEDHN C#CCN[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000778454781 1128517172 /nfs/dbraw/zinc/51/71/72/1128517172.db2.gz NLKVDQZBIBXVDY-AWEZNQCLSA-N 0 3 296.183 3.652 20 30 CHEDHN Fc1ccc(CNCCC(F)(F)F)c(C(F)(F)F)c1 ZINC000129449675 1128540979 /nfs/dbraw/zinc/54/09/79/1128540979.db2.gz LHXWLTAJAXFVOQ-UHFFFAOYSA-N 0 3 289.194 3.887 20 30 CHEDHN N#Cc1cccc(CNCc2ccc(C(F)(F)F)cc2)c1 ZINC000037489139 1128562438 /nfs/dbraw/zinc/56/24/38/1128562438.db2.gz LCDWFTKOUAPSQY-UHFFFAOYSA-N 0 3 290.288 3.867 20 30 CHEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1F ZINC000131178743 1128608904 /nfs/dbraw/zinc/60/89/04/1128608904.db2.gz ZMXYBJULBHAIFQ-UHFFFAOYSA-N 0 3 268.335 3.638 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)C1CCCC1 ZINC000750689922 1128627675 /nfs/dbraw/zinc/62/76/75/1128627675.db2.gz NUVRTRNZUUPPKH-WCQYABFASA-N 0 3 282.343 3.830 20 30 CHEDHN C=CCCCCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000574893121 1128664401 /nfs/dbraw/zinc/66/44/01/1128664401.db2.gz LZATYDBUBXSGEH-ZDUSSCGKSA-N 0 3 279.346 3.776 20 30 CHEDHN N#CC1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000195316899 1128679386 /nfs/dbraw/zinc/67/93/86/1128679386.db2.gz ASHXORFGSVOYGB-UHFFFAOYSA-N 0 3 250.345 3.575 20 30 CHEDHN CCON=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000921137629 1128700845 /nfs/dbraw/zinc/70/08/45/1128700845.db2.gz FTVSAINMJRGGPF-UHFFFAOYSA-N 0 3 260.381 3.828 20 30 CHEDHN C=CCC1(CN[C@H](C)c2cscn2)CCCC1 ZINC000578847123 1128730636 /nfs/dbraw/zinc/73/06/36/1128730636.db2.gz LALKODFQQLSAAI-GFCCVEGCSA-N 0 3 250.411 3.930 20 30 CHEDHN C=CCCC[C@H](C)NCc1ncc(CSC)s1 ZINC000339340130 1117757550 /nfs/dbraw/zinc/75/75/50/1117757550.db2.gz NBNWMNMVKNVCIU-NSHDSACASA-N 0 3 270.467 3.841 20 30 CHEDHN CCN(C[C@H](C)C#N)[C@@H](C)CCc1cccc(F)c1 ZINC000183128052 1118037888 /nfs/dbraw/zinc/03/78/88/1118037888.db2.gz ZYPLQVGQCMUFQH-KGLIPLIRSA-N 0 3 262.372 3.628 20 30 CHEDHN C=CCCCCCN1CCc2ncc(Cl)cc2C1 ZINC001209433236 1118054495 /nfs/dbraw/zinc/05/44/95/1118054495.db2.gz SBCIVXSLNRZYPR-UHFFFAOYSA-N 0 3 264.800 3.840 20 30 CHEDHN C[C@@H](C#N)CN[C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000185573787 1118062676 /nfs/dbraw/zinc/06/26/76/1118062676.db2.gz STGCXALGOUCPQZ-RYUDHWBXSA-N 0 3 284.325 3.776 20 30 CHEDHN C#CCN(CC1=CCCC1)[C@H]1CCc2ccccc21 ZINC001167178510 1118087051 /nfs/dbraw/zinc/08/70/51/1118087051.db2.gz COTLXCAXMJRSPT-SFHVURJKSA-N 0 3 251.373 3.719 20 30 CHEDHN COc1ccc2c(c1)nccc2NCc1ccc(C#N)cc1 ZINC000765507367 1118159282 /nfs/dbraw/zinc/15/92/82/1118159282.db2.gz CXTWHWSDWUOANE-UHFFFAOYSA-N 0 3 289.338 3.727 20 30 CHEDHN CC(C)(C)N1CCCN(c2c(Cl)cccc2C#N)CC1 ZINC000610274859 1118171327 /nfs/dbraw/zinc/17/13/27/1118171327.db2.gz JUNVIIILOVJOMA-UHFFFAOYSA-N 0 3 291.826 3.522 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccsc1 ZINC000921532227 1118173083 /nfs/dbraw/zinc/17/30/83/1118173083.db2.gz KXSCYJKYHXSNCA-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN COc1ccccc1/C=C/CN(C)Cc1cccc(C#N)c1 ZINC000130768082 1118196787 /nfs/dbraw/zinc/19/67/87/1118196787.db2.gz QWDUNHCAFDGFFV-UXBLZVDNSA-N 0 3 292.382 3.712 20 30 CHEDHN Cc1ccccc1CN(C)Cc1ccc(C#N)cc1C ZINC000165448921 1118276566 /nfs/dbraw/zinc/27/65/66/1118276566.db2.gz WLHLLUSIAVERGF-UHFFFAOYSA-N 0 3 264.372 3.807 20 30 CHEDHN C[C@H]1CC(=O)C=C(Nc2ccccc2CN2CCCC2)C1 ZINC001210775996 1118382429 /nfs/dbraw/zinc/38/24/29/1118382429.db2.gz OKIJYCDLLGXUBI-CQSZACIVSA-N 0 3 284.403 3.577 20 30 CHEDHN C#CCOc1ccccc1CN[C@H](CC)c1ccccc1 ZINC000050198473 1118443024 /nfs/dbraw/zinc/44/30/24/1118443024.db2.gz VODMSQNUKOXGFD-GOSISDBHSA-N 0 3 279.383 3.940 20 30 CHEDHN C=CC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000779188761 1128782404 /nfs/dbraw/zinc/78/24/04/1128782404.db2.gz ZXOCMWRORBLADP-UHFFFAOYSA-N 0 3 253.345 3.677 20 30 CHEDHN C=CC[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000779188761 1128782407 /nfs/dbraw/zinc/78/24/07/1128782407.db2.gz ZXOCMWRORBLADP-UHFFFAOYSA-N 0 3 253.345 3.677 20 30 CHEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccoc1 ZINC000177823710 1118511129 /nfs/dbraw/zinc/51/11/29/1118511129.db2.gz HBVNWSYGAVWLRE-ZDUSSCGKSA-N 0 3 286.400 3.735 20 30 CHEDHN Cc1ccc2c(c1)CC[C@H]2NCc1cc(C#N)cs1 ZINC000334251860 1118547347 /nfs/dbraw/zinc/54/73/47/1118547347.db2.gz KVIBGZZPVORZDW-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN Cc1cscc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000335330014 1118621226 /nfs/dbraw/zinc/62/12/26/1118621226.db2.gz ASRJHQZPZIETIM-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN N#Cc1cccc(C2(NCc3ccc4ncccc4c3)CC2)c1 ZINC000341228073 1118628799 /nfs/dbraw/zinc/62/87/99/1118628799.db2.gz PXUZFKKPUQYPKM-UHFFFAOYSA-N 0 3 299.377 3.885 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000335822951 1118649314 /nfs/dbraw/zinc/64/93/14/1118649314.db2.gz HZGDGQPGOYZHIO-LJQANCHMSA-N 0 3 291.398 3.819 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(F)c(F)c1)CC2 ZINC000335823633 1118649600 /nfs/dbraw/zinc/64/96/00/1118649600.db2.gz LFOJLCPEAIGRHG-KRWDZBQOSA-N 0 3 284.309 3.614 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(F)c(F)c1)CC2 ZINC000335823634 1118649657 /nfs/dbraw/zinc/64/96/57/1118649657.db2.gz LFOJLCPEAIGRHG-QGZVFWFLSA-N 0 3 284.309 3.614 20 30 CHEDHN C=CCc1cc(C[N@H+]2CCCCC[C@@H]2C)c([O-])c(OC)c1 ZINC000754741616 1118665923 /nfs/dbraw/zinc/66/59/23/1118665923.db2.gz LWIUGWBBVWLCJC-AWEZNQCLSA-N 0 3 289.419 3.894 20 30 CHEDHN C=CCc1cc(C[N@@H+]2CCCCC[C@@H]2C)c([O-])c(OC)c1 ZINC000754741616 1118665920 /nfs/dbraw/zinc/66/59/20/1118665920.db2.gz LWIUGWBBVWLCJC-AWEZNQCLSA-N 0 3 289.419 3.894 20 30 CHEDHN C[C@H]1C[C@H](NCC2(CC#N)CC2)c2ccsc2S1 ZINC000430737454 1118765861 /nfs/dbraw/zinc/76/58/61/1118765861.db2.gz BJAYTZLDVYPRNC-JQWIXIFHSA-N 0 3 278.446 3.957 20 30 CHEDHN CC#CCN[C@@H](CC)c1cc(F)cc(Br)c1 ZINC000132949243 1118858872 /nfs/dbraw/zinc/85/88/72/1118858872.db2.gz MSFWLJNJWBDJHF-ZDUSSCGKSA-N 0 3 284.172 3.652 20 30 CHEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2CCC2)ccn1 ZINC000610993626 1118917446 /nfs/dbraw/zinc/91/74/46/1118917446.db2.gz XBQPBLVULPGTRN-SFHVURJKSA-N 0 3 277.371 3.584 20 30 CHEDHN C[C@H]1CN(Cc2ccnc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000610994406 1118919298 /nfs/dbraw/zinc/91/92/98/1118919298.db2.gz YXVIQDGVYYEYJL-KXBFYZLASA-N 0 3 291.398 3.579 20 30 CHEDHN Cc1ccc(C)c([C@@H]2CCCN2Cc2ccnc(C#N)c2)c1 ZINC000610994520 1118919525 /nfs/dbraw/zinc/91/95/25/1118919525.db2.gz SNFYZHYMMIHDMJ-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN C[C@H]1CCC[C@H](C)N1Cc1cn2ccccc2c1C#N ZINC000342341406 1118985444 /nfs/dbraw/zinc/98/54/44/1118985444.db2.gz UPLLRZXLGSGZEM-KBPBESRZSA-N 0 3 267.376 3.574 20 30 CHEDHN C=CCN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511060660 1118996283 /nfs/dbraw/zinc/99/62/83/1118996283.db2.gz UKOPLOMVYDVFJE-OAHLLOKOSA-N 0 3 251.320 3.734 20 30 CHEDHN CCS[C@@H]1CC[C@H](N(C)Cc2csc(C#N)c2)C1 ZINC000892197655 1119019911 /nfs/dbraw/zinc/01/99/11/1119019911.db2.gz UPLISMFMXTWBPF-QWHCGFSZSA-N 0 3 280.462 3.726 20 30 CHEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000158145507 1119063390 /nfs/dbraw/zinc/06/33/90/1119063390.db2.gz XZYXMTUALULWKC-KOLCDFICSA-N 0 3 282.434 3.584 20 30 CHEDHN CC(C)CCn1cccc1CN1CCC(CC#N)CC1 ZINC000611622781 1119116554 /nfs/dbraw/zinc/11/65/54/1119116554.db2.gz HRFPADAAHCKSHL-UHFFFAOYSA-N 0 3 273.424 3.660 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2)o1 ZINC000661117291 1119196014 /nfs/dbraw/zinc/19/60/14/1119196014.db2.gz PIEPLLKRMRQBLY-HOCLYGCPSA-N 0 3 297.402 3.961 20 30 CHEDHN CC(C)(CCC#N)CN1CCc2c(F)cccc2C1 ZINC000123818886 1119303931 /nfs/dbraw/zinc/30/39/31/1119303931.db2.gz OEFKDTRQWYHDAR-UHFFFAOYSA-N 0 3 260.356 3.514 20 30 CHEDHN Cc1cc(C)cc(OCCN(C)Cc2cccc(C#N)c2)c1 ZINC000248032831 1119304706 /nfs/dbraw/zinc/30/47/06/1119304706.db2.gz IQVALHSKWROGAG-UHFFFAOYSA-N 0 3 294.398 3.686 20 30 CHEDHN CC[C@H](NC[C@@H](C#N)CCC#N)C(C)(C)c1ccccc1 ZINC000583626353 1119386824 /nfs/dbraw/zinc/38/68/24/1119386824.db2.gz OCJGSTADKHTPKP-WBVHZDCISA-N 0 3 283.419 3.776 20 30 CHEDHN CCc1cnccc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000343674246 1119485200 /nfs/dbraw/zinc/48/52/00/1119485200.db2.gz ALVGXYYCWZLLFC-AWEZNQCLSA-N 0 3 279.387 3.561 20 30 CHEDHN C=C(C)[C@@H](NC[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000187785564 1119512925 /nfs/dbraw/zinc/51/29/25/1119512925.db2.gz KSPALVKMGDEAPD-XJKSGUPXSA-N 0 3 281.346 3.741 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000628405632 1128856990 /nfs/dbraw/zinc/85/69/90/1128856990.db2.gz QFTXMXUXKQIMDZ-LBPRGKRZSA-N 0 3 295.810 3.755 20 30 CHEDHN CN(CCCC(C)(C)C#N)Cc1nc2ccccc2o1 ZINC000431604156 1119624346 /nfs/dbraw/zinc/62/43/46/1119624346.db2.gz LUBQZLGIHJTQJY-UHFFFAOYSA-N 0 3 271.364 3.590 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1CCC[C@H](C)O1)c1ccco1 ZINC000658215279 1119707922 /nfs/dbraw/zinc/70/79/22/1119707922.db2.gz GYANIHWYSMPZQQ-KKUMJFAQSA-N 0 3 263.381 3.834 20 30 CHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000658334744 1119725936 /nfs/dbraw/zinc/72/59/36/1119725936.db2.gz AXWUDMDTAPHBAI-SWLSCSKDSA-N 0 3 273.401 3.613 20 30 CHEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000612580693 1119801546 /nfs/dbraw/zinc/80/15/46/1119801546.db2.gz WFFGGONXMJGXRL-ZDUSSCGKSA-N 0 3 295.342 3.626 20 30 CHEDHN COc1cc(F)cc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000180294786 1119976390 /nfs/dbraw/zinc/97/63/90/1119976390.db2.gz CZYBUKRCWHIWET-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN CC[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(C#N)cc1 ZINC000414310721 1119976673 /nfs/dbraw/zinc/97/66/73/1119976673.db2.gz LLFXJEQSZMTIGA-OWCLPIDISA-N 0 3 260.356 3.880 20 30 CHEDHN CCCCCCCCCCC(=O)N1CCCN(C)CC1 ZINC000163065796 1120007774 /nfs/dbraw/zinc/00/77/74/1120007774.db2.gz ODIUVEKDVVRDJO-UHFFFAOYSA-N 0 3 282.472 3.681 20 30 CHEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1C ZINC000186315237 1120023437 /nfs/dbraw/zinc/02/34/37/1120023437.db2.gz FMZIGMHWAJGHKC-GOSISDBHSA-N 0 3 279.387 3.845 20 30 CHEDHN C=CCC[C@H](NCC1(C#N)CCC1)[C@@]1(C)CCCCO1 ZINC000903035113 1120063984 /nfs/dbraw/zinc/06/39/84/1120063984.db2.gz IHHHLSXCHVDIJH-JKSUJKDBSA-N 0 3 276.424 3.564 20 30 CHEDHN CC[C@H](CCc1ccccc1)NCC1(C#N)CCC1 ZINC000903035719 1120065041 /nfs/dbraw/zinc/06/50/41/1120065041.db2.gz TYRBTYWXMYXNAA-MRXNPFEDSA-N 0 3 256.393 3.681 20 30 CHEDHN C=C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000309566909 1120127758 /nfs/dbraw/zinc/12/77/58/1120127758.db2.gz MMNKKMXFTJDUJQ-UWVGGRQHSA-N 0 3 284.197 3.688 20 30 CHEDHN COc1ccc(C2CC2)cc1CN[C@@H](C)CC(C)(C)C#N ZINC000926842279 1120136078 /nfs/dbraw/zinc/13/60/78/1120136078.db2.gz DMZDLUDILYMDLU-ZDUSSCGKSA-N 0 3 286.419 3.991 20 30 CHEDHN CN1CC[C@H](Nc2cccc(F)c2C#N)[C@H]1c1ccccc1 ZINC000301828904 1120145693 /nfs/dbraw/zinc/14/56/93/1120145693.db2.gz GLQKRUZYYZSPTK-ZWKOTPCHSA-N 0 3 295.361 3.555 20 30 CHEDHN CCc1ccc([C@H]2C[C@H](C)CCN2CCCC#N)o1 ZINC000174446857 1120168905 /nfs/dbraw/zinc/16/89/05/1120168905.db2.gz WVXKTSKEPNRWHB-UKRRQHHQSA-N 0 3 260.381 3.919 20 30 CHEDHN CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccncc1 ZINC000181805944 1128905044 /nfs/dbraw/zinc/90/50/44/1128905044.db2.gz WUCRJYBEIZDTCQ-KSSFIOAISA-N 0 3 295.386 3.786 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1 ZINC000183714068 1120344602 /nfs/dbraw/zinc/34/46/02/1120344602.db2.gz ZHLJWWOKKBTCDM-GJZGRUSLSA-N 0 3 295.386 3.565 20 30 CHEDHN C=CCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543052857 1120390319 /nfs/dbraw/zinc/39/03/19/1120390319.db2.gz VKWNUGOQUWGIDB-MRXNPFEDSA-N 0 3 272.779 3.794 20 30 CHEDHN CCC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccn1 ZINC000618567913 1128920038 /nfs/dbraw/zinc/92/00/38/1128920038.db2.gz IRGZPHLUNGJXDH-DZKIICNBSA-N 0 3 257.381 3.595 20 30 CHEDHN CCc1cccc2c1OCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000618571738 1128920378 /nfs/dbraw/zinc/92/03/78/1128920378.db2.gz UEEBWQHZXDHSDO-KMFMINBZSA-N 0 3 284.403 3.745 20 30 CHEDHN Cc1cc(CN2CCC[C@@H]2c2ccc(O)cc2)ccc1C#N ZINC000618593482 1128920721 /nfs/dbraw/zinc/92/07/21/1128920721.db2.gz NVLYZZHEDQNFGR-LJQANCHMSA-N 0 3 292.382 3.909 20 30 CHEDHN N#Cc1ccc(CNC2CC(c3ccccc3F)C2)c(F)c1 ZINC000162576087 1120516021 /nfs/dbraw/zinc/51/60/21/1120516021.db2.gz RAGZHADVNINODT-UHFFFAOYSA-N 0 3 298.336 3.872 20 30 CHEDHN N#Cc1csc(CN2CCSC3(CCCCC3)C2)c1 ZINC000093705295 1120565233 /nfs/dbraw/zinc/56/52/33/1120565233.db2.gz FJEOJUSGNPZTEM-UHFFFAOYSA-N 0 3 292.473 3.871 20 30 CHEDHN CCSCC[C@H](C)N(C)Cc1cc(C#N)cs1 ZINC000093871071 1120568034 /nfs/dbraw/zinc/56/80/34/1120568034.db2.gz PWVZSPXPLUVDLL-NSHDSACASA-N 0 3 268.451 3.583 20 30 CHEDHN CCSc1ccccc1CCNCc1ccc(C#N)o1 ZINC000922704766 1120583544 /nfs/dbraw/zinc/58/35/44/1120583544.db2.gz DQQCHGWVZDYDFQ-UHFFFAOYSA-N 0 3 286.400 3.596 20 30 CHEDHN CSc1ccc(CNCc2ccc(C)c(C#N)c2)s1 ZINC000922759561 1120593212 /nfs/dbraw/zinc/59/32/12/1120593212.db2.gz QUWFQZUURKBROU-UHFFFAOYSA-N 0 3 288.441 3.940 20 30 CHEDHN Cc1cc(CNCc2ccc(C)c(C#N)c2)c(C)s1 ZINC000922759804 1120593494 /nfs/dbraw/zinc/59/34/94/1120593494.db2.gz UOKSVPDPDVRPLS-UHFFFAOYSA-N 0 3 270.401 3.835 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000186689807 1120640331 /nfs/dbraw/zinc/64/03/31/1120640331.db2.gz UYQCKQOULVIUPV-IUCAKERBSA-N 0 3 292.181 3.720 20 30 CHEDHN CCC(CC)N(C)Cc1ccc(C#N)cc1Cl ZINC000162868964 1120694299 /nfs/dbraw/zinc/69/42/99/1120694299.db2.gz YUCKVQWRSNKBER-UHFFFAOYSA-N 0 3 250.773 3.832 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2nc(C)c3ccccc3n2)C1 ZINC000651695365 1120712817 /nfs/dbraw/zinc/71/28/17/1120712817.db2.gz HAJBPHJVHUAJKL-CABCVRRESA-N 0 3 281.403 3.773 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc2ccccc2c(=O)[nH]1 ZINC000661116047 1120720107 /nfs/dbraw/zinc/72/01/07/1120720107.db2.gz HCTMBVOSXPESSP-DZGCQCFKSA-N 0 3 297.402 3.560 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618802378 1128938040 /nfs/dbraw/zinc/93/80/40/1128938040.db2.gz JFEDBKBNUKTKGX-SCLBCKFNSA-N 0 3 277.371 3.600 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651824187 1120754498 /nfs/dbraw/zinc/75/44/98/1120754498.db2.gz JOPSZRBDLHJHMJ-MAUKXSAKSA-N 0 3 296.414 3.726 20 30 CHEDHN COc1cccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618802220 1128940177 /nfs/dbraw/zinc/94/01/77/1128940177.db2.gz DAGSMUXVLKNOEL-BFUOFWGJSA-N 0 3 292.382 3.905 20 30 CHEDHN Cc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c(C)n1 ZINC000618807322 1128940376 /nfs/dbraw/zinc/94/03/76/1128940376.db2.gz XUQHNPNKULTMRP-IFXJQAMLSA-N 0 3 291.398 3.908 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c(C)n1 ZINC000618807313 1128940540 /nfs/dbraw/zinc/94/05/40/1128940540.db2.gz XUQHNPNKULTMRP-AUUYWEPGSA-N 0 3 291.398 3.908 20 30 CHEDHN C=CCN(Cc1cc2c(ccc(C)c2C)[nH]1)C1CC1 ZINC000473128929 1120790889 /nfs/dbraw/zinc/79/08/89/1120790889.db2.gz QZGPBKCELPLAGW-UHFFFAOYSA-N 0 3 254.377 3.935 20 30 CHEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000511897602 1120815582 /nfs/dbraw/zinc/81/55/82/1120815582.db2.gz UEFOEYZZNSKZCQ-ZACQAIPSSA-N 0 3 266.388 3.558 20 30 CHEDHN Cc1ccc([C@H](C)NCc2cc(C#N)cs2)s1 ZINC000093492528 1120817001 /nfs/dbraw/zinc/81/70/01/1120817001.db2.gz WIXUXDRPRNBTSV-JTQLQIEISA-N 0 3 262.403 3.841 20 30 CHEDHN C#CCCN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000070190985 1128952759 /nfs/dbraw/zinc/95/27/59/1128952759.db2.gz VVUKEHYEFFBHCX-MRVPVSSYSA-N 0 3 260.139 3.806 20 30 CHEDHN C=C(CNCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000604532666 1121001703 /nfs/dbraw/zinc/00/17/03/1121001703.db2.gz NTPVKNLPKSNMRV-UHFFFAOYSA-N 0 3 282.343 3.706 20 30 CHEDHN N#Cc1cccc(C2(NCc3cc4ccccc4[nH]3)CC2)c1 ZINC000618966624 1128957581 /nfs/dbraw/zinc/95/75/81/1128957581.db2.gz RXNRMRDQYYTCED-UHFFFAOYSA-N 0 3 287.366 3.818 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000625702588 1121061492 /nfs/dbraw/zinc/06/14/92/1121061492.db2.gz HIVJDOUBYBDSTC-CQSZACIVSA-N 0 3 268.360 3.740 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000625704582 1121063698 /nfs/dbraw/zinc/06/36/98/1121063698.db2.gz YQFXZQGKLIZWEQ-OAHLLOKOSA-N 0 3 295.386 3.667 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000625703641 1121063841 /nfs/dbraw/zinc/06/38/41/1121063841.db2.gz OBJVCAJMRAUDPP-CYBMUJFWSA-N 0 3 286.350 3.879 20 30 CHEDHN CCOc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000318079477 1121074017 /nfs/dbraw/zinc/07/40/17/1121074017.db2.gz GPXIVGBIBWMBQC-CYBMUJFWSA-N 0 3 298.361 3.947 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1N(C)C ZINC000344076271 1121075065 /nfs/dbraw/zinc/07/50/65/1121075065.db2.gz SVTDKBSNVCHBQY-OAHLLOKOSA-N 0 3 293.414 3.817 20 30 CHEDHN COCCN(CC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000674249300 1121106037 /nfs/dbraw/zinc/10/60/37/1121106037.db2.gz NNAZJBVPRSLVRV-UHFFFAOYSA-N 0 3 291.822 3.583 20 30 CHEDHN CC(C)(NCCOc1ccccc1C#N)c1ccccc1F ZINC000429240726 1121199633 /nfs/dbraw/zinc/19/96/33/1121199633.db2.gz YEMYVJNUNUMHJY-UHFFFAOYSA-N 0 3 298.361 3.601 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000843424168 1121480148 /nfs/dbraw/zinc/48/01/48/1121480148.db2.gz PZENMZPDEJDWJA-LBPRGKRZSA-N 0 3 297.320 3.662 20 30 CHEDHN CN(CCOC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614170545 1121503721 /nfs/dbraw/zinc/50/37/21/1121503721.db2.gz CQHRSICMBLBLJO-UHFFFAOYSA-N 0 3 288.435 3.735 20 30 CHEDHN CC(C)Oc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611379104 1121640337 /nfs/dbraw/zinc/64/03/37/1121640337.db2.gz ZDZONJNNUHSRPO-CQSZACIVSA-N 0 3 295.386 3.591 20 30 CHEDHN C=C[C@@H](COC)N[C@H](C)c1cc(Br)ccc1C ZINC001118805810 1121684976 /nfs/dbraw/zinc/68/49/76/1121684976.db2.gz IJGCOFALANKVOY-YPMHNXCESA-N 0 3 298.224 3.609 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN[C@@H](C)CC(C)C ZINC001178272032 1121776798 /nfs/dbraw/zinc/77/67/98/1121776798.db2.gz AHIAVCIRHSWQEI-ZDUSSCGKSA-N 0 3 279.811 3.876 20 30 CHEDHN C#CCOc1ccc(CNCc2csc(C)c2C)cc1 ZINC001178754502 1121813072 /nfs/dbraw/zinc/81/30/72/1121813072.db2.gz PILRWQPQHSXBRJ-UHFFFAOYSA-N 0 3 285.412 3.667 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C)c2ccccc2C1 ZINC000345117310 1121846070 /nfs/dbraw/zinc/84/60/70/1121846070.db2.gz DFMZBMGZBAFLAE-HNNXBMFYSA-N 0 3 291.398 3.571 20 30 CHEDHN C#CCOc1cccc(Cl)c1CNCC/C=C/C=C ZINC001179473289 1121883686 /nfs/dbraw/zinc/88/36/86/1121883686.db2.gz WIEYEQXRQXEHSS-AATRIKPKSA-N 0 3 275.779 3.574 20 30 CHEDHN CO[C@@]1(C)CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000280378689 1121894287 /nfs/dbraw/zinc/89/42/87/1121894287.db2.gz KXGOPECVXBUDDE-KRWDZBQOSA-N 0 3 291.822 3.583 20 30 CHEDHN C=CCOCCN[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000679576474 1121907472 /nfs/dbraw/zinc/90/74/72/1121907472.db2.gz OMECZVNWHNANRZ-CQSZACIVSA-N 0 3 271.360 3.800 20 30 CHEDHN C=CCCC(C)(C)C[NH2+][C@H](c1cccs1)c1nnc[n-]1 ZINC000631684492 1129021987 /nfs/dbraw/zinc/02/19/87/1129021987.db2.gz SBQBLELYVHRRJC-CYBMUJFWSA-N 0 3 290.436 3.538 20 30 CHEDHN C=CCO[C@@H]1CCN(C/C=C\c2cc(C)c(C)cc2C)C1 ZINC001180317959 1121973353 /nfs/dbraw/zinc/97/33/53/1121973353.db2.gz SSBBBPHRSPFQJJ-LIXSYLKWSA-N 0 3 285.431 3.902 20 30 CHEDHN CC1(C)CCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000773986555 1122118274 /nfs/dbraw/zinc/11/82/74/1122118274.db2.gz CFMREAOUANVLGJ-VXGBXAGGSA-N 0 3 282.343 3.830 20 30 CHEDHN C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@H]2CC)c([O-])c(OC)c1 ZINC000774620199 1122218514 /nfs/dbraw/zinc/21/85/14/1122218514.db2.gz VNVJJBWPCXDQJS-CZUORRHYSA-N 0 3 289.419 3.750 20 30 CHEDHN C=CCc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c([O-])c(OC)c1 ZINC000774620199 1122218521 /nfs/dbraw/zinc/21/85/21/1122218521.db2.gz VNVJJBWPCXDQJS-CZUORRHYSA-N 0 3 289.419 3.750 20 30 CHEDHN C=CC(C)(C)CCC[NH2+]Cc1ccc([O-])c(F)c1 ZINC001183671374 1122234390 /nfs/dbraw/zinc/23/43/90/1122234390.db2.gz HIUXJOXEJPAVIQ-UHFFFAOYSA-N 0 3 251.345 3.613 20 30 CHEDHN C#CC[C@@H](NCc1ccc(C)c(OC)c1)c1ccccc1 ZINC000774995343 1122381710 /nfs/dbraw/zinc/38/17/10/1122381710.db2.gz BLJTWHWYFVEPDW-GOSISDBHSA-N 0 3 279.383 3.858 20 30 CHEDHN CC1(C)CCN(CC#Cc2cccc(Cl)c2)CCS1 ZINC000434692507 1122395016 /nfs/dbraw/zinc/39/50/16/1122395016.db2.gz GVMUICLXNZCUAT-UHFFFAOYSA-N 0 3 293.863 3.909 20 30 CHEDHN COc1cc(CN2CC3(CCC3)[C@H]2C(C)C)ccc1C#N ZINC000430098899 1122404160 /nfs/dbraw/zinc/40/41/60/1122404160.db2.gz KOXIVAGCMRDLAO-QGZVFWFLSA-N 0 3 284.403 3.577 20 30 CHEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000601160168 1122501533 /nfs/dbraw/zinc/50/15/33/1122501533.db2.gz UNQGRAZUPYNZRT-CHWSQXEVSA-N 0 3 282.309 3.528 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000515763322 1122533430 /nfs/dbraw/zinc/53/34/30/1122533430.db2.gz OBIDRXRXCFARQE-UHFFFAOYSA-N 0 3 267.372 3.883 20 30 CHEDHN C=C(C)CN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425514095 1122537103 /nfs/dbraw/zinc/53/71/03/1122537103.db2.gz PKOYRLJSSKCPBD-UHFFFAOYSA-N 0 3 276.449 3.777 20 30 CHEDHN CCC#C[C@H](C)N1CCC(OC2CCC(C)CC2)CC1 ZINC001190933132 1122561197 /nfs/dbraw/zinc/56/11/97/1122561197.db2.gz BRGVHVWJIIRTQJ-CGZBRXJRSA-N 0 3 277.452 3.848 20 30 CHEDHN C=C(Cl)CN(CCC)[C@H]1C[C@@H](OCC)C1(C)C ZINC001191099121 1122571686 /nfs/dbraw/zinc/57/16/86/1122571686.db2.gz IUJQKJVPPLCZIG-QWHCGFSZSA-N 0 3 259.821 3.655 20 30 CHEDHN CN(Cc1cc(Cl)cc(C#N)c1)Cc1ccccc1O ZINC001191681480 1122608815 /nfs/dbraw/zinc/60/88/15/1122608815.db2.gz AIIDPRVGVCJYNL-UHFFFAOYSA-N 0 3 286.762 3.549 20 30 CHEDHN C[N@H+](Cc1cc(Cl)cc(C#N)c1)Cc1ccccc1[O-] ZINC001191681480 1122608818 /nfs/dbraw/zinc/60/88/18/1122608818.db2.gz AIIDPRVGVCJYNL-UHFFFAOYSA-N 0 3 286.762 3.549 20 30 CHEDHN C[N@@H+](Cc1cc(Cl)cc(C#N)c1)Cc1ccccc1[O-] ZINC001191681480 1122608824 /nfs/dbraw/zinc/60/88/24/1122608824.db2.gz AIIDPRVGVCJYNL-UHFFFAOYSA-N 0 3 286.762 3.549 20 30 CHEDHN CC[C@@]1(C)CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000437574883 1122641552 /nfs/dbraw/zinc/64/15/52/1122641552.db2.gz DMTWKAIYNPFARD-KRWDZBQOSA-N 0 3 272.392 3.579 20 30 CHEDHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1OC(F)F ZINC000437633764 1122646427 /nfs/dbraw/zinc/64/64/27/1122646427.db2.gz YOKDYSOCTVESCH-RISCZKNCSA-N 0 3 294.345 3.780 20 30 CHEDHN Cc1ccccc1[C@@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000775551155 1122659821 /nfs/dbraw/zinc/65/98/21/1122659821.db2.gz UDWOHTSVMPULKZ-OALUTQOASA-N 0 3 294.398 3.663 20 30 CHEDHN C#C[C@H]1CCCN(Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001138687670 1129072331 /nfs/dbraw/zinc/07/23/31/1129072331.db2.gz KKRSZDUTZRXBQC-LBPRGKRZSA-N 0 3 272.779 3.667 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000437849829 1122723874 /nfs/dbraw/zinc/72/38/74/1122723874.db2.gz GFUZMFQFSNJCFI-IBGZPJMESA-N 0 3 296.414 3.889 20 30 CHEDHN C=C(CC)CN1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001194551784 1122784266 /nfs/dbraw/zinc/78/42/66/1122784266.db2.gz MHRJCYYTIDCKNE-CQSZACIVSA-N 0 3 278.827 3.817 20 30 CHEDHN CCCCCCCCOC(=O)N[C@]1(C)CCCN(C)C1 ZINC001194753119 1122795599 /nfs/dbraw/zinc/79/55/99/1122795599.db2.gz CEKISPJPCKFPIH-MRXNPFEDSA-N 0 3 284.444 3.557 20 30 CHEDHN CC(C)N(Cc1cc(C#N)ccn1)[C@H](C)c1ccccc1 ZINC001194816916 1122809219 /nfs/dbraw/zinc/80/92/19/1122809219.db2.gz MPNDWLIDTLZFEY-OAHLLOKOSA-N 0 3 279.387 3.925 20 30 CHEDHN CCCCCCCCCOC(=O)N(C)[C@@H]1CCN(C)C1 ZINC001194914435 1122822086 /nfs/dbraw/zinc/82/20/86/1122822086.db2.gz ZSDJQKGPUQGMDI-OAHLLOKOSA-N 0 3 284.444 3.510 20 30 CHEDHN CC1(C)C(C(=O)C(C#N)c2nc3ccccc3o2)C1(C)C ZINC000080282268 1129081124 /nfs/dbraw/zinc/08/11/24/1129081124.db2.gz ZOMIMIAWNBGFRD-JTQLQIEISA-N 0 3 282.343 3.686 20 30 CHEDHN C=CC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000427008559 1122932183 /nfs/dbraw/zinc/93/21/83/1122932183.db2.gz MNQWVHSLIRHXBW-UHFFFAOYSA-N 0 3 259.780 3.590 20 30 CHEDHN CCC[C@@H](C)N(C)Cc1ccc(Br)cc1C#N ZINC000383327844 1122952970 /nfs/dbraw/zinc/95/29/70/1122952970.db2.gz FRCUPQFAZAMXQF-LLVKDONJSA-N 0 3 295.224 3.941 20 30 CHEDHN C=CCOc1cccc(CNCc2sccc2C)c1 ZINC001199841870 1123042053 /nfs/dbraw/zinc/04/20/53/1123042053.db2.gz DIIPZCJWTPJNMD-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN C=CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000776156932 1123087194 /nfs/dbraw/zinc/08/71/94/1123087194.db2.gz MVFNCAQRJCKUEJ-KBXCAEBGSA-N 0 3 277.371 3.921 20 30 CHEDHN CC[C@@H](C)CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001201520505 1123121822 /nfs/dbraw/zinc/12/18/22/1123121822.db2.gz BIGZQIVYAUUYFP-CQSZACIVSA-N 0 3 274.383 3.729 20 30 CHEDHN C=CCCCN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000441449729 1123128131 /nfs/dbraw/zinc/12/81/31/1123128131.db2.gz OKSDCROYILQYKD-NVXWUHKLSA-N 0 3 259.393 3.723 20 30 CHEDHN CCCCCCCCCCN1CCc2ncncc2C1 ZINC001201874619 1123156877 /nfs/dbraw/zinc/15/68/77/1123156877.db2.gz APGGCPFULXEEGT-UHFFFAOYSA-N 0 3 275.440 3.975 20 30 CHEDHN C=CCOCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000850378134 1123260600 /nfs/dbraw/zinc/26/06/00/1123260600.db2.gz TWOCSYCHTJEWMT-UHFFFAOYSA-N 0 3 297.398 3.742 20 30 CHEDHN CC[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccc(C#N)cc1 ZINC000850524838 1123281083 /nfs/dbraw/zinc/28/10/83/1123281083.db2.gz DSMALQOQUWPASP-IPMKNSEASA-N 0 3 292.382 3.777 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1nccc(OC)c1F ZINC000850536725 1123287325 /nfs/dbraw/zinc/28/73/25/1123287325.db2.gz MZLFWGKNMNYGDT-ZDUSSCGKSA-N 0 3 280.387 3.844 20 30 CHEDHN C[C@H](Cc1cccc(F)c1)NCC1(C#N)CCCCC1 ZINC000850550765 1123288943 /nfs/dbraw/zinc/28/89/43/1123288943.db2.gz QQMLXROLBPDSKQ-CQSZACIVSA-N 0 3 274.383 3.820 20 30 CHEDHN N#CC(C(=O)C1CCC2(CC2)CC1)c1nc2ccccc2[nH]1 ZINC000850739164 1123297082 /nfs/dbraw/zinc/29/70/82/1123297082.db2.gz SYOLAFFYQIBDDQ-CYBMUJFWSA-N 0 3 293.370 3.710 20 30 CHEDHN Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OCC2CC2)c1 ZINC000442781112 1123338322 /nfs/dbraw/zinc/33/83/22/1123338322.db2.gz LYORQDVKQBCPCA-RDJZCZTQSA-N 0 3 284.403 3.566 20 30 CHEDHN C#Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853094758 1123423970 /nfs/dbraw/zinc/42/39/70/1123423970.db2.gz MYPLQQWARPEKIH-HNNXBMFYSA-N 0 3 291.394 3.844 20 30 CHEDHN N#CC1(CNC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000797605678 1123458950 /nfs/dbraw/zinc/45/89/50/1123458950.db2.gz UWZLOYWTTAERDV-UHFFFAOYSA-N 0 3 290.410 3.734 20 30 CHEDHN N#Cc1cc([O-])ccc1-c1cccc(C[NH+]2CCCC2)c1 ZINC000854201369 1123475641 /nfs/dbraw/zinc/47/56/41/1123475641.db2.gz IJJYLPBXLANSAK-UHFFFAOYSA-N 0 3 278.355 3.527 20 30 CHEDHN CCC[C@@H](C)CCNCc1cc(C#N)cnc1Cl ZINC000895532389 1123488439 /nfs/dbraw/zinc/48/84/39/1123488439.db2.gz OOAXJMBKIGKHPD-LLVKDONJSA-N 0 3 265.788 3.523 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccnc2)c1 ZINC000113952600 1123548205 /nfs/dbraw/zinc/54/82/05/1123548205.db2.gz VTJRPCGJRLUUIL-YOEHRIQHSA-N 0 3 295.386 3.613 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CC=C(C(=O)OCC)C1)c1ccco1 ZINC000858507639 1123658931 /nfs/dbraw/zinc/65/89/31/1123658931.db2.gz KIGLENFCKNFOIT-CABCVRRESA-N 0 3 289.375 3.528 20 30 CHEDHN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000346201587 1123672177 /nfs/dbraw/zinc/67/21/77/1123672177.db2.gz RBHXKKSJWQIFKL-XIKOKIGWSA-N 0 3 295.361 3.894 20 30 CHEDHN COc1cc(CN[C@H](C)c2ccc(F)c(C)c2)ccc1C#N ZINC000281648779 1123733901 /nfs/dbraw/zinc/73/39/01/1123733901.db2.gz JPRDBXFFKUGYOK-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN C=CCCCCCN(C)Cc1ccnc(F)c1C ZINC000862246144 1123794037 /nfs/dbraw/zinc/79/40/37/1123794037.db2.gz AQRFXTCZPVKVRD-UHFFFAOYSA-N 0 3 250.361 3.707 20 30 CHEDHN C=C(Br)CNC[C@H](C)c1ccc(C)cc1 ZINC000862277373 1123797283 /nfs/dbraw/zinc/79/72/83/1123797283.db2.gz XJXBRIMDQJAJKY-NSHDSACASA-N 0 3 268.198 3.597 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\CC(C)(C)CC#N)c([O-])c1 ZINC000840711243 1123810867 /nfs/dbraw/zinc/81/08/67/1123810867.db2.gz PUZSWRXTQOFPTP-UNOMPAQXSA-N 0 3 287.407 3.597 20 30 CHEDHN C#CC[C@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000862444522 1123811971 /nfs/dbraw/zinc/81/19/71/1123811971.db2.gz BJRRPWDWLJTWSL-AWEZNQCLSA-N 0 3 282.412 3.655 20 30 CHEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)[C@H](CC)CO1 ZINC000403905527 1123836199 /nfs/dbraw/zinc/83/61/99/1123836199.db2.gz WSXWGOKXAUPHOX-HUUCEWRRSA-N 0 3 266.429 3.596 20 30 CHEDHN CCOc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000192952394 1123868644 /nfs/dbraw/zinc/86/86/44/1123868644.db2.gz YMFACWYPEUBGNP-GDBMZVCRSA-N 0 3 272.392 3.566 20 30 CHEDHN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(OCC#N)cc1 ZINC000840874686 1123875868 /nfs/dbraw/zinc/87/58/68/1123875868.db2.gz AZZUIPJKOVUOAG-APHBMKBZSA-N 0 3 276.355 3.520 20 30 CHEDHN N#Cc1ccccc1CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000609916581 1124001995 /nfs/dbraw/zinc/00/19/95/1124001995.db2.gz YFVPDUDMVOOIFL-INIZCTEOSA-N 0 3 294.373 3.762 20 30 CHEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccsc1Cl)C2 ZINC000865847160 1124020959 /nfs/dbraw/zinc/02/09/59/1124020959.db2.gz ICKYXMKWHCLHTQ-AWEZNQCLSA-N 0 3 288.803 3.530 20 30 CHEDHN CC[C@]1(C)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000399449421 1124038797 /nfs/dbraw/zinc/03/87/97/1124038797.db2.gz HULFSLVJMMVXNQ-OAHLLOKOSA-N 0 3 262.784 3.834 20 30 CHEDHN CC(C)(C#N)CCCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000444691144 1124053422 /nfs/dbraw/zinc/05/34/22/1124053422.db2.gz XCZATRZNVKQMHT-QGZVFWFLSA-N 0 3 292.467 3.988 20 30 CHEDHN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(OCC#N)cc1 ZINC000866449391 1124066159 /nfs/dbraw/zinc/06/61/59/1124066159.db2.gz AZZUIPJKOVUOAG-VBNZEHGJSA-N 0 3 276.355 3.520 20 30 CHEDHN C=C(C)CN(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445890397 1124106444 /nfs/dbraw/zinc/10/64/44/1124106444.db2.gz MZIYPRJWJLAMKC-ZDUSSCGKSA-N 0 3 296.208 3.781 20 30 CHEDHN C=CCN(Cc1cnn(CC(F)F)c1)CC1CCCCC1 ZINC000508551769 1124108072 /nfs/dbraw/zinc/10/80/72/1124108072.db2.gz LUVDRZHIWLRLBY-UHFFFAOYSA-N 0 3 297.393 3.717 20 30 CHEDHN C[C@@H]1CCC[C@H](N(C)Cc2cccc(F)c2C#N)C1 ZINC000428445629 1124114895 /nfs/dbraw/zinc/11/48/95/1124114895.db2.gz HAUKSQQYJNHODJ-OCCSQVGLSA-N 0 3 260.356 3.708 20 30 CHEDHN CN(CC#Cc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC000446816546 1124123472 /nfs/dbraw/zinc/12/34/72/1124123472.db2.gz FYYSLWFQXCQRGF-LJQANCHMSA-N 0 3 279.358 3.797 20 30 CHEDHN CSc1ccc(F)cc1CN[C@H](C)CC(C)(C)C#N ZINC000925191311 1124132084 /nfs/dbraw/zinc/13/20/84/1124132084.db2.gz MSMRKKXJCNEOEV-LLVKDONJSA-N 0 3 280.412 3.966 20 30 CHEDHN C[C@@H](CCC#N)CN1CCc2ccc(Cl)cc2C1 ZINC001119295366 1131250206 /nfs/dbraw/zinc/25/02/06/1131250206.db2.gz BTZRFKDUIPBOTQ-LBPRGKRZSA-N 0 3 262.784 3.638 20 30 CHEDHN C[C@H](NCc1cccn1C1CC1)c1ccc(C#N)cc1 ZINC001119340250 1131251449 /nfs/dbraw/zinc/25/14/49/1131251449.db2.gz VCIAJYIQYCNZDX-ZDUSSCGKSA-N 0 3 265.360 3.545 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@H](C(F)(F)F)C1 ZINC001119691256 1131261404 /nfs/dbraw/zinc/26/14/04/1131261404.db2.gz HKXYWHMMDFQEPQ-ZDUSSCGKSA-N 0 3 282.309 3.559 20 30 CHEDHN CC[C@H](NCc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447537940 1124484512 /nfs/dbraw/zinc/48/45/12/1124484512.db2.gz ZSJMZTCRDHUELH-KRWDZBQOSA-N 0 3 268.335 3.938 20 30 CHEDHN C=CCCCN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000448020583 1124555031 /nfs/dbraw/zinc/55/50/31/1124555031.db2.gz CSUPJWFBFGXZSL-CQSZACIVSA-N 0 3 284.407 3.501 20 30 CHEDHN C=CCSCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449131561 1124653220 /nfs/dbraw/zinc/65/32/20/1124653220.db2.gz NSZXIZTXJWXEKT-NSHDSACASA-N 0 3 287.350 3.600 20 30 CHEDHN C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000872139911 1124695961 /nfs/dbraw/zinc/69/59/61/1124695961.db2.gz SHYLGLVSOZTTDU-KKUMJFAQSA-N 0 3 257.377 3.543 20 30 CHEDHN CN(Cc1c(O)ccc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000872680449 1124725693 /nfs/dbraw/zinc/72/56/93/1124725693.db2.gz HQIBOAOEEHSXDC-PBHICJAKSA-N 0 3 280.371 3.669 20 30 CHEDHN C=C(C)COc1cc(CN2CC[C@@H]2C2CC2)ccc1OC ZINC000449426439 1124732893 /nfs/dbraw/zinc/73/28/93/1124732893.db2.gz PXAHPQMWLWPTCX-MRXNPFEDSA-N 0 3 287.403 3.634 20 30 CHEDHN C=CCC1(NCc2nnc(C3CC3)s2)CCCCC1 ZINC000528709235 1124766838 /nfs/dbraw/zinc/76/68/38/1124766838.db2.gz WSSIRRRHPUZOIU-UHFFFAOYSA-N 0 3 277.437 3.784 20 30 CHEDHN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCC#N ZINC000825720304 1124826314 /nfs/dbraw/zinc/82/63/14/1124826314.db2.gz DORLZFAOJWJEMQ-ZDUSSCGKSA-N 0 3 270.298 3.530 20 30 CHEDHN C=C(Br)CN[C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000125105828 1124849717 /nfs/dbraw/zinc/84/97/17/1124849717.db2.gz HCNBZBSNAVIGNE-VXGBXAGGSA-N 0 3 298.224 3.685 20 30 CHEDHN CCC[C@](C)(CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123476419 1131315623 /nfs/dbraw/zinc/31/56/23/1131315623.db2.gz MWGMXUJUXJXXHM-ABAIWWIYSA-N 0 3 280.318 3.752 20 30 CHEDHN C#CCN(Cc1ccc(C(F)F)nc1)C1CCCCC1 ZINC000876642675 1124966541 /nfs/dbraw/zinc/96/65/41/1124966541.db2.gz JGGKLGHLHYGXCW-UHFFFAOYSA-N 0 3 278.346 3.787 20 30 CHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000876992593 1124994524 /nfs/dbraw/zinc/99/45/24/1124994524.db2.gz HFHWQNGUVRNPFV-YGRLFVJLSA-N 0 3 280.799 3.609 20 30 CHEDHN CC[C@@H](C)C[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877067715 1125004699 /nfs/dbraw/zinc/00/46/99/1125004699.db2.gz LQFOXTFHTYOMPV-MNOVXSKESA-N 0 3 265.788 3.521 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)cnc2Cl)[C@H]2CCCC[C@H]12 ZINC000877193970 1125018895 /nfs/dbraw/zinc/01/88/95/1125018895.db2.gz VWYVYUWSQOGGOR-DFBGVHRSSA-N 0 3 289.810 3.617 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 ZINC000877520793 1125038337 /nfs/dbraw/zinc/03/83/37/1125038337.db2.gz HYNZVMICQCHECC-RDTXWAMCSA-N 0 3 277.371 3.536 20 30 CHEDHN C[C@@H](NC[C@@H]1CCCC1(F)F)c1ccc(C#N)cc1F ZINC000450718510 1125088233 /nfs/dbraw/zinc/08/82/33/1125088233.db2.gz NXWOTJPVQZGAPO-PWSUYJOCSA-N 0 3 282.309 3.783 20 30 CHEDHN N#CC1CCN(C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878016448 1125113676 /nfs/dbraw/zinc/11/36/76/1125113676.db2.gz MQBMRDKUZVRZKO-MSOLQXFVSA-N 0 3 284.403 3.532 20 30 CHEDHN CC(=O)[C@](C#N)(CCN(C)[C@@H](C)C1(C)CC1)c1ccccc1 ZINC000878179309 1125129632 /nfs/dbraw/zinc/12/96/32/1125129632.db2.gz KUVVLOIRRJOWQS-HNAYVOBHSA-N 0 3 298.430 3.547 20 30 CHEDHN C[C@H](NC[C@H]1CCCC(C)(C)O1)c1ccc(C#N)cc1F ZINC000878406633 1125150373 /nfs/dbraw/zinc/15/03/73/1125150373.db2.gz ADJJNCSFQJUYMN-GXTWGEPZSA-N 0 3 290.382 3.696 20 30 CHEDHN C[C@H]1c2ccccc2CCN1CCOc1cccc(C#N)c1 ZINC000530902528 1125185967 /nfs/dbraw/zinc/18/59/67/1125185967.db2.gz XFQNOVLQJAHSOO-HNNXBMFYSA-N 0 3 292.382 3.556 20 30 CHEDHN C#CCCCCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000879010538 1125191845 /nfs/dbraw/zinc/19/18/45/1125191845.db2.gz XJYOLBNSDOANBL-MRXNPFEDSA-N 0 3 256.393 3.658 20 30 CHEDHN C#CCCCCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000879010537 1125191864 /nfs/dbraw/zinc/19/18/64/1125191864.db2.gz XJYOLBNSDOANBL-INIZCTEOSA-N 0 3 256.393 3.658 20 30 CHEDHN C=C[C@@H](C)N[C@@H](CC)c1ccccc1OC(F)F ZINC000358308769 1125204530 /nfs/dbraw/zinc/20/45/30/1125204530.db2.gz ZDWYCDBXTFTISN-PWSUYJOCSA-N 0 3 255.308 3.903 20 30 CHEDHN N#Cc1cc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)ccc1F ZINC000879669815 1125224250 /nfs/dbraw/zinc/22/42/50/1125224250.db2.gz VWVZPYGQSGSFTP-TZMCWYRMSA-N 0 3 298.283 3.684 20 30 CHEDHN Cc1cncc([C@H]2CCCN2Cc2ccc(C#N)cc2C)c1 ZINC000879750739 1125231361 /nfs/dbraw/zinc/23/13/61/1125231361.db2.gz ZADUEGIHNHWRMN-LJQANCHMSA-N 0 3 291.398 3.907 20 30 CHEDHN C#CCC1(O)CCN([C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000880479550 1125276945 /nfs/dbraw/zinc/27/69/45/1125276945.db2.gz RPZVMTDSYFWOCY-INIZCTEOSA-N 0 3 291.822 3.641 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000179737159 1125285988 /nfs/dbraw/zinc/28/59/88/1125285988.db2.gz QPXNZLKITUHTLR-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN Cc1cc(F)ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000050575232 1125319550 /nfs/dbraw/zinc/31/95/50/1125319550.db2.gz FYSPCQGOWOINQL-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN CN(Cc1cc(C#N)n(C)c1)Cc1cccc2ccccc21 ZINC000191214093 1125345899 /nfs/dbraw/zinc/34/58/99/1125345899.db2.gz FFFAOCSPTKCSGC-UHFFFAOYSA-N 0 3 289.382 3.682 20 30 CHEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000130725030 1125367679 /nfs/dbraw/zinc/36/76/79/1125367679.db2.gz CMIMWBJMPZDMJJ-UHFFFAOYSA-N 0 3 280.371 3.676 20 30 CHEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000130725030 1125367681 /nfs/dbraw/zinc/36/76/81/1125367681.db2.gz CMIMWBJMPZDMJJ-UHFFFAOYSA-N 0 3 280.371 3.676 20 30 CHEDHN C=CCC[C@H](Cc1ccccc1)NCc1nnc(C)s1 ZINC000883215713 1125378578 /nfs/dbraw/zinc/37/85/78/1125378578.db2.gz DWCUKXQEIRFZFL-OAHLLOKOSA-N 0 3 287.432 3.514 20 30 CHEDHN C=CCC[C@H](NCc1oc(CCC)nc1C)[C@@H]1CCCO1 ZINC000883224309 1125380034 /nfs/dbraw/zinc/38/00/34/1125380034.db2.gz JLUNARKYHVADLD-GJZGRUSLSA-N 0 3 292.423 3.539 20 30 CHEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000883393214 1125409181 /nfs/dbraw/zinc/40/91/81/1125409181.db2.gz YDXHNHTXBXNNOP-QAPCUYQASA-N 0 3 296.414 3.726 20 30 CHEDHN C=CC1CCN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000532557194 1125415199 /nfs/dbraw/zinc/41/51/99/1125415199.db2.gz AJBIXQRAMTXMOM-UHFFFAOYSA-N 0 3 287.447 3.670 20 30 CHEDHN C=CCCCCCC[C@@H](O)CNCc1ccoc1C ZINC001253252422 1125425588 /nfs/dbraw/zinc/42/55/88/1125425588.db2.gz WOMUXMTZCJGQNX-MRXNPFEDSA-N 0 3 265.397 3.565 20 30 CHEDHN CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1[O-] ZINC000037748728 1129264394 /nfs/dbraw/zinc/26/43/94/1129264394.db2.gz ZAOPCHAGGXWZIN-INIZCTEOSA-N 0 3 266.344 3.505 20 30 CHEDHN C=C(C)CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100476 1129280936 /nfs/dbraw/zinc/28/09/36/1129280936.db2.gz OOENTJNXWLRRIC-ZDUSSCGKSA-N 0 3 274.191 3.583 20 30 CHEDHN C#CCOc1ccccc1CNCc1cc(C)c(C)cc1C ZINC000734159677 1129297086 /nfs/dbraw/zinc/29/70/86/1129297086.db2.gz VQOIJUZINQQENP-UHFFFAOYSA-N 0 3 293.410 3.914 20 30 CHEDHN C=CCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000735492936 1129349586 /nfs/dbraw/zinc/34/95/86/1129349586.db2.gz LAJXPQJPQJYWJH-BFYDXBDKSA-N 0 3 259.393 3.803 20 30 CHEDHN C=CCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000735492939 1129349713 /nfs/dbraw/zinc/34/97/13/1129349713.db2.gz LAJXPQJPQJYWJH-INMHGKMJSA-N 0 3 259.393 3.803 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2ccc3occc3c2)CC1 ZINC001138824212 1129352875 /nfs/dbraw/zinc/35/28/75/1129352875.db2.gz DQYASFRJZJLCKR-CYBMUJFWSA-N 0 3 254.333 3.558 20 30 CHEDHN C=C(C)CN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000642190713 1129409719 /nfs/dbraw/zinc/40/97/19/1129409719.db2.gz ARBDURWIDWOHLJ-UHFFFAOYSA-N 0 3 271.404 3.774 20 30 CHEDHN CCCCCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000740875138 1129422155 /nfs/dbraw/zinc/42/21/55/1129422155.db2.gz HHYPLBKYQUWGLQ-QGZVFWFLSA-N 0 3 288.435 3.520 20 30 CHEDHN C[C@H](Cc1ccsc1)N(C)Cc1cc(C#N)cs1 ZINC000093705844 1129426783 /nfs/dbraw/zinc/42/67/83/1129426783.db2.gz SAXXIVBQFBTJGR-LLVKDONJSA-N 0 3 276.430 3.744 20 30 CHEDHN CC[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744137404 1129555160 /nfs/dbraw/zinc/55/51/60/1129555160.db2.gz OPXHHAAEVMNSPU-OAHLLOKOSA-N 0 3 294.402 3.501 20 30 CHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647295962 1129565333 /nfs/dbraw/zinc/56/53/33/1129565333.db2.gz ZNHSLFARFAEUEE-KGLIPLIRSA-N 0 3 261.413 3.615 20 30 CHEDHN C=CCC[C@H](O)CNC1(c2ccccc2Cl)CCC1 ZINC000649643685 1129665819 /nfs/dbraw/zinc/66/58/19/1129665819.db2.gz XLHZIQMQHDFGOR-ZDUSSCGKSA-N 0 3 279.811 3.636 20 30 CHEDHN CC#CCN[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC001168801851 1129673332 /nfs/dbraw/zinc/67/33/32/1129673332.db2.gz UVCQZXIYEQGZPX-IBGZPJMESA-N 0 3 297.373 3.731 20 30 CHEDHN C=C(C)CCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649916836 1129686984 /nfs/dbraw/zinc/68/69/84/1129686984.db2.gz POAZLPWTXSLYOL-BZSNNMDCSA-N 0 3 271.404 3.947 20 30 CHEDHN C=CC(C)(C)CN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652205353 1129759699 /nfs/dbraw/zinc/75/96/99/1129759699.db2.gz VTHJVCACAZHEGY-GOSISDBHSA-N 0 3 296.414 3.981 20 30 CHEDHN Cc1c2[nH]cnc2ccc1NC1=CC(=O)CC(C)(C)C1 ZINC001169951275 1129767345 /nfs/dbraw/zinc/76/73/45/1129767345.db2.gz BRZWMTCTNXNURN-UHFFFAOYSA-N 0 3 269.348 3.556 20 30 CHEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H]2CCC(C)C)nn1 ZINC000653634063 1129789466 /nfs/dbraw/zinc/78/94/66/1129789466.db2.gz JEWXDHMQZBLWKQ-WBVHZDCISA-N 0 3 290.455 3.549 20 30 CHEDHN C#CCCOc1ccc(CN(C)Cc2cccs2)cc1 ZINC000768159366 1129836325 /nfs/dbraw/zinc/83/63/25/1129836325.db2.gz CAJDLPCYVSGJHL-UHFFFAOYSA-N 0 3 285.412 3.782 20 30 CHEDHN C=CCCCN[C@@H](C)c1nc(Br)ccc1F ZINC000381654050 1129843801 /nfs/dbraw/zinc/84/38/01/1129843801.db2.gz DUXYQCMOONUHKM-VIFPVBQESA-N 0 3 287.176 3.600 20 30 CHEDHN COc1ccc(CN2CC[C@@H](c3ccccc3)C2)c(C#N)c1 ZINC001137697914 1131403086 /nfs/dbraw/zinc/40/30/86/1131403086.db2.gz BDVVMNHJXVLGFN-QGZVFWFLSA-N 0 3 292.382 3.556 20 30 CHEDHN C=CCCCCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000828987937 1131408487 /nfs/dbraw/zinc/40/84/87/1131408487.db2.gz OIHNQYMBYNXTTR-UHFFFAOYSA-N 0 3 295.373 3.605 20 30 CHEDHN C=CCCCCNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000770666962 1129954436 /nfs/dbraw/zinc/95/44/36/1129954436.db2.gz DHAMGSJHRRWWRY-UHFFFAOYSA-N 0 3 295.736 3.538 20 30 CHEDHN C#CC[C@@H](NCc1cc(C)ccc1NC)c1ccccc1 ZINC000902415304 1130008355 /nfs/dbraw/zinc/00/83/55/1130008355.db2.gz DBUVABLHIOMDCD-LJQANCHMSA-N 0 3 278.399 3.891 20 30 CHEDHN C=CCC[C@@H](NCc1csc(C)n1)[C@]1(C)CCCCO1 ZINC000902756843 1130053346 /nfs/dbraw/zinc/05/33/46/1130053346.db2.gz MTQRFRAPTRMSFR-CVEARBPZSA-N 0 3 294.464 3.835 20 30 CHEDHN C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc2ccccc2c1[O-] ZINC000903033465 1130102934 /nfs/dbraw/zinc/10/29/34/1130102934.db2.gz UUCDJXYJJKNYTE-CYBMUJFWSA-N 0 3 280.371 3.890 20 30 CHEDHN CC(C)[C@H](Cc1ccc(F)cc1)NCC(C)(C)C#N ZINC000903100324 1130112538 /nfs/dbraw/zinc/11/25/38/1130112538.db2.gz NTTDXGAQYQTTQV-HNNXBMFYSA-N 0 3 262.372 3.532 20 30 CHEDHN Cc1cc(C)c([C@H](C)NCC2(C#N)CCCC2)c(O)c1 ZINC000903109907 1130114458 /nfs/dbraw/zinc/11/44/58/1130114458.db2.gz XBCQZOLODIAPQX-AWEZNQCLSA-N 0 3 272.392 3.744 20 30 CHEDHN CO[C@@H](c1ccccc1)[C@H](C)NCc1cc(C#N)ccc1F ZINC000786858001 1130120474 /nfs/dbraw/zinc/12/04/74/1130120474.db2.gz BWMQSJZLZHQTIH-SCLBCKFNSA-N 0 3 298.361 3.563 20 30 CHEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000903264385 1130139188 /nfs/dbraw/zinc/13/91/88/1130139188.db2.gz SUPCJDHPGWSQJX-HNNXBMFYSA-N 0 3 297.427 3.682 20 30 CHEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc(F)ccc1OC ZINC000903370885 1130167044 /nfs/dbraw/zinc/16/70/44/1130167044.db2.gz KOQOWYBTKNXJED-ZLDLUXBVSA-N 0 3 276.355 3.567 20 30 CHEDHN C#CC(C)(C)N(C)Cc1cc(Cl)cc2cccnc21 ZINC000787996989 1130167818 /nfs/dbraw/zinc/16/78/18/1130167818.db2.gz DOWSPHIUOJEEFU-UHFFFAOYSA-N 0 3 272.779 3.732 20 30 CHEDHN C#CCn1ccc(CN(CC)CC2CCC(C)(C)CC2)n1 ZINC000789329179 1130245097 /nfs/dbraw/zinc/24/50/97/1130245097.db2.gz KQZMWXVYRUJTQH-UHFFFAOYSA-N 0 3 287.451 3.555 20 30 CHEDHN CC[C@@](C)(NCC#Cc1ccccc1)c1ccccc1 ZINC000792270608 1130441677 /nfs/dbraw/zinc/44/16/77/1130441677.db2.gz FASNHNHKOCDDOM-LJQANCHMSA-N 0 3 263.384 3.953 20 30 CHEDHN C#CCCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000792431987 1130447792 /nfs/dbraw/zinc/44/77/92/1130447792.db2.gz MWRMADPBGKAKLP-UHFFFAOYSA-N 0 3 269.310 3.854 20 30 CHEDHN CCC#C[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000678797038 1130457009 /nfs/dbraw/zinc/45/70/09/1130457009.db2.gz BUPLAEJWKFJUQR-HOTGVXAUSA-N 0 3 270.420 3.739 20 30 CHEDHN CCCCCCCCN1CCOc2cc(O)ccc2C1 ZINC001170173207 1130458741 /nfs/dbraw/zinc/45/87/41/1130458741.db2.gz QCUHRIGAJYMHIZ-UHFFFAOYSA-N 0 3 277.408 3.947 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1cccc(Br)c1 ZINC001255158266 1130506048 /nfs/dbraw/zinc/50/60/48/1130506048.db2.gz GISGFZMNUTTWDZ-FZMZJTMJSA-N 0 3 295.224 3.662 20 30 CHEDHN CC[C@H](CC#N)NCC1(Cc2ccccc2F)CCC1 ZINC001255160729 1130513038 /nfs/dbraw/zinc/51/30/38/1130513038.db2.gz OXVQIVMTOHLWKU-OAHLLOKOSA-N 0 3 274.383 3.820 20 30 CHEDHN C[C@H](NN=C1CCCNc2ccccc21)C(C)(C)C ZINC000793113241 1130520482 /nfs/dbraw/zinc/52/04/82/1130520482.db2.gz BRBKKLSILJUYTH-LBPRGKRZSA-N 0 3 259.397 3.621 20 30 CHEDHN CC[C@H](CC#N)NCC(C)(C)Cc1ccc(F)cc1 ZINC001255161775 1130522567 /nfs/dbraw/zinc/52/25/67/1130522567.db2.gz ACVVMUIBGVHTNY-OAHLLOKOSA-N 0 3 262.372 3.676 20 30 CHEDHN C=C(C)C[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000793227400 1130531150 /nfs/dbraw/zinc/53/11/50/1130531150.db2.gz SFBXUNXEPGGWBJ-UHFFFAOYSA-N 0 3 267.372 3.971 20 30 CHEDHN C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000793227400 1130531155 /nfs/dbraw/zinc/53/11/55/1130531155.db2.gz SFBXUNXEPGGWBJ-UHFFFAOYSA-N 0 3 267.372 3.971 20 30 CHEDHN CC[C@@H](CC#N)N(CC)[C@H](C)Cc1ccc(OC)cc1 ZINC001255165218 1130534555 /nfs/dbraw/zinc/53/45/55/1130534555.db2.gz VUKCRMJRVZTRJM-ZBFHGGJFSA-N 0 3 274.408 3.640 20 30 CHEDHN CC[C@@H](CC#N)N(CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC001255165214 1130534812 /nfs/dbraw/zinc/53/48/12/1130534812.db2.gz VUKCRMJRVZTRJM-HOCLYGCPSA-N 0 3 274.408 3.640 20 30 CHEDHN CC[C@H](CC#N)N1CCC[C@H](c2ccccc2)CC1 ZINC001255175939 1130550076 /nfs/dbraw/zinc/55/00/76/1130550076.db2.gz TZKVRYICECSUGD-DLBZAZTESA-N 0 3 256.393 3.948 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1csc(N(C)C)n1 ZINC000793535024 1130565387 /nfs/dbraw/zinc/56/53/87/1130565387.db2.gz OLTKYAPWDBMXDM-CYBMUJFWSA-N 0 3 281.469 3.824 20 30 CHEDHN Fc1ccc(/C=C/C=Nn2cnc3ccccc32)c(F)c1 ZINC000758100572 1130597082 /nfs/dbraw/zinc/59/70/82/1130597082.db2.gz STMZMAAZGODBSR-PQXRUWMISA-N 0 3 283.281 3.862 20 30 CHEDHN C[C@H](CC(C)(C)S)Oc1cccc2c1CCN(C)C2 ZINC001234422611 1130642375 /nfs/dbraw/zinc/64/23/75/1130642375.db2.gz IRJBTNBWNSURPM-GFCCVEGCSA-N 0 3 279.449 3.540 20 30 CHEDHN CC1(C#N)CCN(Cc2ccccc2N2CCCCC2)CC1 ZINC000780782801 1130691963 /nfs/dbraw/zinc/69/19/63/1130691963.db2.gz VZNBGEPXIDRIMK-UHFFFAOYSA-N 0 3 297.446 3.803 20 30 CHEDHN CCCCCCCCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000781183608 1130707666 /nfs/dbraw/zinc/70/76/66/1130707666.db2.gz JDLMWOQJVZKYJL-HNNXBMFYSA-N 0 3 280.456 3.504 20 30 CHEDHN N#CCC1(N[C@@H]2CCc3cc(F)cc(F)c3C2)CCCC1 ZINC001170685597 1130711741 /nfs/dbraw/zinc/71/17/41/1130711741.db2.gz POZUQYSUJUPEKC-CQSZACIVSA-N 0 3 290.357 3.638 20 30 CHEDHN Cc1cccc2c1CCN(Cc1ccccc1CC#N)C2 ZINC001235511687 1130751119 /nfs/dbraw/zinc/75/11/19/1130751119.db2.gz LQSCGYHGCGSZLG-UHFFFAOYSA-N 0 3 276.383 3.619 20 30 CHEDHN C=CCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000783437592 1130824624 /nfs/dbraw/zinc/82/46/24/1130824624.db2.gz ALQVEKCOZMNVJE-QGZVFWFLSA-N 0 3 287.403 3.551 20 30 CHEDHN C[C@@H]1CCCC[C@H]1C=Nn1cnnc1-c1ccccc1 ZINC000783821136 1130856541 /nfs/dbraw/zinc/85/65/41/1130856541.db2.gz KCHLYBGDTCMUAZ-HIFRSBDPSA-N 0 3 268.364 3.605 20 30 CHEDHN C#CC[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000784266142 1130895203 /nfs/dbraw/zinc/89/52/03/1130895203.db2.gz QXPVSIXKLNTAGY-LJQANCHMSA-N 0 3 274.367 3.607 20 30 CHEDHN N#C[C@H]1CC[C@@H](N2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC000815080250 1130957091 /nfs/dbraw/zinc/95/70/91/1130957091.db2.gz MXRUKTQKJZESBW-SWLSCSKDSA-N 0 3 287.794 3.516 20 30 CHEDHN N#C[C@H]1CC[C@H](N2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC000815080251 1130957463 /nfs/dbraw/zinc/95/74/63/1130957463.db2.gz MXRUKTQKJZESBW-WFASDCNBSA-N 0 3 287.794 3.516 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@@H](C)C2CCCCC2)n1 ZINC000815102912 1130961904 /nfs/dbraw/zinc/96/19/04/1130961904.db2.gz MKZAYVDYSUJMCJ-MRXNPFEDSA-N 0 3 287.451 3.555 20 30 CHEDHN N#CCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000797468772 1130988992 /nfs/dbraw/zinc/98/89/92/1130988992.db2.gz OQHSPZJUIMEQLB-UHFFFAOYSA-N 0 3 292.382 3.843 20 30 CHEDHN CC[C@@H](SC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567424 1130994336 /nfs/dbraw/zinc/99/43/36/1130994336.db2.gz HUYRTJHTQCKDMR-NXEZZACHSA-N 0 3 296.461 3.758 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(F)cc2C)cc1C#N ZINC000815596925 1131005877 /nfs/dbraw/zinc/00/58/77/1131005877.db2.gz IGVRLTYATQPXJX-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN CC(C)(CC(=O)C(C#N)c1nc2ccccc2o1)C1CC1 ZINC000815915001 1131034650 /nfs/dbraw/zinc/03/46/50/1131034650.db2.gz ADWNFKGQPBNPRM-LBPRGKRZSA-N 0 3 282.343 3.830 20 30 CHEDHN CC(C)(C)Oc1ccccc1CN1CCC(S)CC1 ZINC001237032109 1131038184 /nfs/dbraw/zinc/03/81/84/1131038184.db2.gz PAXHNOZSLMSNFA-UHFFFAOYSA-N 0 3 279.449 3.758 20 30 CHEDHN Cn1cc(CN2CC3CCC(CC3)C2)c2cc(C#N)ccc21 ZINC001237472681 1131103016 /nfs/dbraw/zinc/10/30/16/1131103016.db2.gz LLKHFKOAGQDYLV-UHFFFAOYSA-N 0 3 293.414 3.672 20 30 CHEDHN C=C[C@@H](COC)N[C@H](CCC)c1ccc(Cl)cc1 ZINC001116643654 1131158717 /nfs/dbraw/zinc/15/87/17/1131158717.db2.gz ROERLNAGRKPXPW-LSDHHAIUSA-N 0 3 267.800 3.972 20 30 CHEDHN C=C[C@H](COC)NCc1ccc(-c2ccccc2)cc1 ZINC001116640580 1131158735 /nfs/dbraw/zinc/15/87/35/1131158735.db2.gz UAZPQTUAHKMLNO-GOSISDBHSA-N 0 3 267.372 3.644 20 30 CHEDHN C=C[C@H](COC)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001116642910 1131159095 /nfs/dbraw/zinc/15/90/95/1131159095.db2.gz DNDNDOVLAHYLJZ-MWLCHTKSSA-N 0 3 274.191 3.845 20 30 CHEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(SC(F)F)cc1 ZINC001116642750 1131159391 /nfs/dbraw/zinc/15/93/91/1131159391.db2.gz AEFNZBPPIVSZQC-CMPLNLGQSA-N 0 3 287.375 3.853 20 30 CHEDHN C=C(C)CN(CC)Cc1ccccc1Oc1cnccn1 ZINC001238020954 1131162023 /nfs/dbraw/zinc/16/20/23/1131162023.db2.gz XOFCBFBEUBRQRZ-UHFFFAOYSA-N 0 3 283.375 3.667 20 30 CHEDHN CCOc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1C ZINC001238072318 1131167887 /nfs/dbraw/zinc/16/78/87/1131167887.db2.gz RQFKZXUHEJTCBF-OSYLJGHBSA-N 0 3 284.403 3.660 20 30 CHEDHN N#Cc1cc(CN2CC[C@@H]3CCC[C@H]3C2)ccc1Cl ZINC001238188366 1131177946 /nfs/dbraw/zinc/17/79/46/1131177946.db2.gz BKDWBSREVZXIPH-KBPBESRZSA-N 0 3 274.795 3.834 20 30 CHEDHN CCCCCCCN(C)Cc1cnc(F)c(OC)c1 ZINC001238454874 1131202499 /nfs/dbraw/zinc/20/24/99/1131202499.db2.gz UMUIHGNJMGHDQA-UHFFFAOYSA-N 0 3 268.376 3.632 20 30 CHEDHN N#Cc1ccccc1CN[C@H]1CCc2cccc(Cl)c2C1 ZINC001170898613 1131208022 /nfs/dbraw/zinc/20/80/22/1131208022.db2.gz WUGDYROCDHVZKQ-INIZCTEOSA-N 0 3 296.801 3.859 20 30 CHEDHN C#CC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000830311339 1131452295 /nfs/dbraw/zinc/45/22/95/1131452295.db2.gz KNQIBTCLFGDHGY-UHFFFAOYSA-N 0 3 282.412 3.655 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1cnc(CC)o1 ZINC000825079466 1131499172 /nfs/dbraw/zinc/49/91/72/1131499172.db2.gz VFXAICKVTBRBGO-CYBMUJFWSA-N 0 3 250.386 3.852 20 30 CHEDHN COc1c(C)cc(CNCc2ccc(C#N)c(F)c2)cc1C ZINC000825226872 1131503451 /nfs/dbraw/zinc/50/34/51/1131503451.db2.gz NQSQOAGJIUQCMS-UHFFFAOYSA-N 0 3 298.361 3.613 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1[O-] ZINC001138625399 1131527680 /nfs/dbraw/zinc/52/76/80/1131527680.db2.gz KKYHTKQIDVXOJT-AWEZNQCLSA-N 0 3 299.336 3.690 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c1[O-] ZINC001138625399 1131527684 /nfs/dbraw/zinc/52/76/84/1131527684.db2.gz KKYHTKQIDVXOJT-AWEZNQCLSA-N 0 3 299.336 3.690 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1[O-] ZINC001138628124 1131528486 /nfs/dbraw/zinc/52/84/86/1131528486.db2.gz OWJHZRJPRFZMOU-CQSZACIVSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c1[O-] ZINC001138628124 1131528488 /nfs/dbraw/zinc/52/84/88/1131528488.db2.gz OWJHZRJPRFZMOU-CQSZACIVSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCCC[C@H]2CCOC)c1[O-] ZINC001138629296 1131529924 /nfs/dbraw/zinc/52/99/24/1131529924.db2.gz UCBIQSOOIYOYLP-KRWDZBQOSA-N 0 3 289.419 3.512 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@H]2CCOC)c1[O-] ZINC001138629296 1131529925 /nfs/dbraw/zinc/52/99/25/1131529925.db2.gz UCBIQSOOIYOYLP-KRWDZBQOSA-N 0 3 289.419 3.512 20 30 CHEDHN C=CCc1cccc(C[N@@H+](CC=C)C(C)(C)C)c1[O-] ZINC001138629688 1131530023 /nfs/dbraw/zinc/53/00/23/1131530023.db2.gz FOCIQXDBBDUBRM-UHFFFAOYSA-N 0 3 259.393 3.907 20 30 CHEDHN C=CCc1cccc(C[N@H+](CC=C)C(C)(C)C)c1[O-] ZINC001138629688 1131530026 /nfs/dbraw/zinc/53/00/26/1131530026.db2.gz FOCIQXDBBDUBRM-UHFFFAOYSA-N 0 3 259.393 3.907 20 30 CHEDHN C=C(C)COc1ccccc1CN(C)Cc1ccccc1O ZINC001138665722 1131534105 /nfs/dbraw/zinc/53/41/05/1131534105.db2.gz VGHSNZCDTVDUGH-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C=CCOc1ccccc1CN1CC2CCC1CC2 ZINC001139029721 1131575166 /nfs/dbraw/zinc/57/51/66/1131575166.db2.gz ITTRBFKRLDTDNX-UHFFFAOYSA-N 0 3 257.377 3.626 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2nsnc2c1 ZINC001139211936 1131597531 /nfs/dbraw/zinc/59/75/31/1131597531.db2.gz NGNMDURCPCMKSC-UHFFFAOYSA-N 0 3 295.411 3.880 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc(C(=O)OC)cn1 ZINC001139495703 1131611653 /nfs/dbraw/zinc/61/16/53/1131611653.db2.gz YMWBUMSUFXYUSA-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1c(F)cccc1F ZINC001171174624 1131627706 /nfs/dbraw/zinc/62/77/06/1131627706.db2.gz BAVLXKPRSFIMPM-LBPRGKRZSA-N 0 3 286.325 3.557 20 30 CHEDHN N#Cc1cccc2c(CN3CCC[C@@H]4CCC[C@@H]43)c[nH]c21 ZINC001139706193 1131630519 /nfs/dbraw/zinc/63/05/19/1131630519.db2.gz OBZHUMCBKZDBEZ-GUYCJALGSA-N 0 3 279.387 3.804 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(C)c(Br)c1 ZINC001139730211 1131633392 /nfs/dbraw/zinc/63/33/92/1131633392.db2.gz IYUBENKOWLSIHF-UHFFFAOYSA-N 0 3 280.209 3.932 20 30 CHEDHN C=CCn1cc(CN2CCC(Cc3ccccc3)CC2)cn1 ZINC001139765379 1131635286 /nfs/dbraw/zinc/63/52/86/1131635286.db2.gz CARLPMDEKUGCCO-UHFFFAOYSA-N 0 3 295.430 3.524 20 30 CHEDHN CCCCCCCN(CC)Cc1ccnc(SC)n1 ZINC001140038138 1131659122 /nfs/dbraw/zinc/65/91/22/1131659122.db2.gz PKCGAZSCGFTFNC-UHFFFAOYSA-N 0 3 281.469 3.991 20 30 CHEDHN C#Cc1ccc(CN(CC)Cc2ccc(F)cc2)cc1 ZINC001144576607 1131662272 /nfs/dbraw/zinc/66/22/72/1131662272.db2.gz PGWOFDKTQXVBEX-UHFFFAOYSA-N 0 3 267.347 3.829 20 30 CHEDHN CN(Cc1c[nH]c2ccc(C#N)cc12)Cc1cccc(F)c1 ZINC001140110326 1131664411 /nfs/dbraw/zinc/66/44/11/1131664411.db2.gz IUKVVMSPEZLUPS-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@@H]4CCC[C@@H]43)c2c1 ZINC001140114875 1131665012 /nfs/dbraw/zinc/66/50/12/1131665012.db2.gz DNOLAUSBEMJGSU-KSSFIOAISA-N 0 3 279.387 3.804 20 30 CHEDHN N#CC1(CNCCc2ccc(F)cc2Cl)CCCC1 ZINC000846011397 1131677850 /nfs/dbraw/zinc/67/78/50/1131677850.db2.gz SXWVBRDKWKUNNP-UHFFFAOYSA-N 0 3 280.774 3.695 20 30 CHEDHN C#CCCCCN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000834680597 1131693635 /nfs/dbraw/zinc/69/36/35/1131693635.db2.gz BUZTUGJNJNLCQY-HNNXBMFYSA-N 0 3 281.403 3.541 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2csc(C)c2)cc1C#N ZINC000834688825 1131694290 /nfs/dbraw/zinc/69/42/90/1131694290.db2.gz FQNIGIKEYJCSDP-LBPRGKRZSA-N 0 3 286.400 3.788 20 30 CHEDHN C#CC[C@H](N[C@@H](CC)c1ccncc1)c1ccccc1 ZINC000834692475 1131694500 /nfs/dbraw/zinc/69/45/00/1131694500.db2.gz CBTOANHEYUQARY-ROUUACIJSA-N 0 3 264.372 3.887 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834787005 1131705780 /nfs/dbraw/zinc/70/57/80/1131705780.db2.gz GBPFJEZJTSOPJY-IAGOWNOFSA-N 0 3 290.366 3.528 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N(CCC#N)C1CCCC1 ZINC001171221285 1131706463 /nfs/dbraw/zinc/70/64/63/1131706463.db2.gz KAJDFOKMYFAFCY-HNNXBMFYSA-N 0 3 281.403 3.648 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000834901775 1131724771 /nfs/dbraw/zinc/72/47/71/1131724771.db2.gz BRJMNNHNBZAXLV-SFHVURJKSA-N 0 3 295.357 3.593 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2cnc(C)cc2C)cc1 ZINC000834902370 1131725512 /nfs/dbraw/zinc/72/55/12/1131725512.db2.gz HJLWEVWPRWRIRT-MRXNPFEDSA-N 0 3 294.398 3.561 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2csc(C)c2)c1 ZINC000834904500 1131727064 /nfs/dbraw/zinc/72/70/64/1131727064.db2.gz YZPYMOLVAKNOJH-ZDUSSCGKSA-N 0 3 255.386 3.889 20 30 CHEDHN CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(C)cc1[O-] ZINC000834903767 1131727540 /nfs/dbraw/zinc/72/75/40/1131727540.db2.gz RIAKWMFQIFYQIM-KRWDZBQOSA-N 0 3 298.361 3.952 20 30 CHEDHN C#Cc1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000834903991 1131728648 /nfs/dbraw/zinc/72/86/48/1131728648.db2.gz UQDQLFWANSVLDV-BLLLJJGKSA-N 0 3 295.357 3.851 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCCc3nc(CC)sc32)c1 ZINC000834904050 1131729385 /nfs/dbraw/zinc/72/93/85/1131729385.db2.gz UYPRYNXPBFHSGC-OAHLLOKOSA-N 0 3 296.439 3.854 20 30 CHEDHN N#CC(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc2ccccc2n1 ZINC000835041033 1131762527 /nfs/dbraw/zinc/76/25/27/1131762527.db2.gz IPSGWPASIPSZSI-UGUYLWEFSA-N 0 3 290.366 3.847 20 30 CHEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3o2)CC=CCC1 ZINC000835076337 1131768191 /nfs/dbraw/zinc/76/81/91/1131768191.db2.gz HQQMJCFJRWUHKV-PXAZEXFGSA-N 0 3 280.327 3.750 20 30 CHEDHN CCOC(CN(CC)CCC1(C#N)CCCCC1)OCC ZINC000846974958 1131768548 /nfs/dbraw/zinc/76/85/48/1131768548.db2.gz INGHNCFCRYCDEY-UHFFFAOYSA-N 0 3 296.455 3.572 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000772959775 1131777244 /nfs/dbraw/zinc/77/72/44/1131777244.db2.gz NMFZOFDPHBKHHN-HUUCEWRRSA-N 0 3 295.386 3.704 20 30 CHEDHN CC[C@H]1CCCCN1Cc1cc(C#N)ccc1Cl ZINC001140602828 1131823173 /nfs/dbraw/zinc/82/31/73/1131823173.db2.gz QTLAQKCOHFCXOI-AWEZNQCLSA-N 0 3 262.784 3.976 20 30 CHEDHN CC(C)N(CCCCCO)Cc1cc(C#N)ccc1Cl ZINC001140603982 1131825560 /nfs/dbraw/zinc/82/55/60/1131825560.db2.gz LVWRMCDUOMZLSG-UHFFFAOYSA-N 0 3 294.826 3.585 20 30 CHEDHN COc1cc(CN[C@@H](C)c2cccc(C)c2)ccc1C#N ZINC000234938492 1131838342 /nfs/dbraw/zinc/83/83/42/1131838342.db2.gz OQBREKREKFCLPO-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C=CCCN(Cc1c(C)nn(C)c1C)Cc1ccccc1 ZINC001203057763 1131859521 /nfs/dbraw/zinc/85/95/21/1131859521.db2.gz GCCPSTLWULDCHZ-UHFFFAOYSA-N 0 3 283.419 3.615 20 30 CHEDHN Cc1ccc(CN2CCC(S)CC2)c(Cl)c1 ZINC001140800872 1131924780 /nfs/dbraw/zinc/92/47/80/1131924780.db2.gz XNANWZGHYUYBRO-UHFFFAOYSA-N 0 3 255.814 3.543 20 30 CHEDHN CC(C)N(CCCCCO)Cc1cccc(C#N)c1Cl ZINC001140814055 1131934833 /nfs/dbraw/zinc/93/48/33/1131934833.db2.gz BAXKFLNUTPIAOF-UHFFFAOYSA-N 0 3 294.826 3.585 20 30 CHEDHN C=CCC(CC=C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228937024 1131982087 /nfs/dbraw/zinc/98/20/87/1131982087.db2.gz TVLWKBJZXSMNMH-UHFFFAOYSA-N 0 3 257.377 3.574 20 30 CHEDHN CCCCCCCN(C)Cc1c[nH]nc1C(F)(F)F ZINC001141014910 1131985555 /nfs/dbraw/zinc/98/55/55/1131985555.db2.gz HFNLAXZHZDZPBJ-UHFFFAOYSA-N 0 3 277.334 3.831 20 30 CHEDHN C[C@H](CC(C)(C)S)Oc1ccccc1CN(C)C ZINC001229701242 1132107831 /nfs/dbraw/zinc/10/78/31/1132107831.db2.gz HFDSLEWFWVYPJY-GFCCVEGCSA-N 0 3 267.438 3.614 20 30 CHEDHN C=CCN(C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@@H](C)COC ZINC001171917117 1132109324 /nfs/dbraw/zinc/10/93/24/1132109324.db2.gz UVHLTNPFUMBRBE-BPUTZDHNSA-N 0 3 295.373 3.558 20 30 CHEDHN Cc1nc([C@H](C)N[C@@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172295179 1132166200 /nfs/dbraw/zinc/16/62/00/1132166200.db2.gz PUCOYWQMSQXDFW-RYUDHWBXSA-N 0 3 285.416 3.605 20 30 CHEDHN CC[C@H](C)OCC[C@@H](C)N1CCc2cc(C#N)ccc2C1 ZINC001172335457 1132173622 /nfs/dbraw/zinc/17/36/22/1132173622.db2.gz FDLCEWYKYBOBQK-CABCVRRESA-N 0 3 286.419 3.510 20 30 CHEDHN CCCCCCC[C@@H](CC)N[C@H](C(N)=O)c1ccccc1 ZINC001172347471 1132180934 /nfs/dbraw/zinc/18/09/34/1132180934.db2.gz VQRCBNNQSBSSCA-SJORKVTESA-N 0 3 290.451 3.942 20 30 CHEDHN C[C@@H](C#N)OCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839127806 1132183318 /nfs/dbraw/zinc/18/33/18/1132183318.db2.gz YMGLXGKMZQHMNK-RDJZCZTQSA-N 0 3 284.403 3.532 20 30 CHEDHN CCC1(CC)CN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000839133001 1132183631 /nfs/dbraw/zinc/18/36/31/1132183631.db2.gz UEACLARLWCODQM-AWEZNQCLSA-N 0 3 272.392 3.599 20 30 CHEDHN CCCCCCC[C@@H](CC)N1CCc2ncncc2C1 ZINC001172354319 1132183810 /nfs/dbraw/zinc/18/38/10/1132183810.db2.gz GILGMVODQVVMFT-MRXNPFEDSA-N 0 3 275.440 3.974 20 30 CHEDHN CCCCCCC[C@@H](CC)N1CCN(C(=O)C2CC2)CC1 ZINC001172354506 1132184060 /nfs/dbraw/zinc/18/40/60/1132184060.db2.gz IIZDEVOPXATNKI-QGZVFWFLSA-N 0 3 294.483 3.680 20 30 CHEDHN C[C@@H](C#N)OCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000839184732 1132188473 /nfs/dbraw/zinc/18/84/73/1132188473.db2.gz NPJYFTVEARFFAS-WMZOPIPTSA-N 0 3 298.430 3.922 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141586009 1132192019 /nfs/dbraw/zinc/19/20/19/1132192019.db2.gz NNIJJYQZGXQBCL-GFCCVEGCSA-N 0 3 287.794 3.947 20 30 CHEDHN CCCCCC[C@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172389388 1132214597 /nfs/dbraw/zinc/21/45/97/1132214597.db2.gz XENLUKPZIYQEMQ-GJZGRUSLSA-N 0 3 286.460 3.635 20 30 CHEDHN C[C@@H](CCCC#N)N[C@H](c1ncccc1Cl)C1CC1 ZINC001172491134 1132246679 /nfs/dbraw/zinc/24/66/79/1132246679.db2.gz DKAWDSJJYBWLFZ-FZMZJTMJSA-N 0 3 277.799 3.858 20 30 CHEDHN C[C@H](CCCC#N)NCc1c(Cl)cncc1Cl ZINC001172489906 1132246813 /nfs/dbraw/zinc/24/68/13/1132246813.db2.gz SEPVGDDKQANYII-SECBINFHSA-N 0 3 272.179 3.560 20 30 CHEDHN CCCCCCCC[C@@H](CC)N1CC(N2CCOCC2)C1 ZINC001172505713 1132255014 /nfs/dbraw/zinc/25/50/14/1132255014.db2.gz SPFOWZGSIDCEKF-QGZVFWFLSA-N 0 3 296.499 3.532 20 30 CHEDHN CSc1nc(CN2CCCCCCCC2)ccc1C#N ZINC001141945931 1132269907 /nfs/dbraw/zinc/26/99/07/1132269907.db2.gz RPSLFAJHYULHPS-UHFFFAOYSA-N 0 3 289.448 3.831 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CS[C@@H](C)C2)c([O-])c1 ZINC000840711874 1132274107 /nfs/dbraw/zinc/27/41/07/1132274107.db2.gz SXCRGFIRWYZVRE-IFEYXZSHSA-N 0 3 292.448 3.551 20 30 CHEDHN N#Cc1cnc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)s1 ZINC001172537148 1132274746 /nfs/dbraw/zinc/27/47/46/1132274746.db2.gz NAOBXQARJTWRSO-CABCVRRESA-N 0 3 297.427 3.831 20 30 CHEDHN N#CCC1(N[C@@H]2Cc3ccc(Cl)cc3C2)CCCC1 ZINC001172717331 1132294682 /nfs/dbraw/zinc/29/46/82/1132294682.db2.gz WFWJFEWJTGEGOU-OAHLLOKOSA-N 0 3 274.795 3.623 20 30 CHEDHN C#Cc1cccc(CN(C)Cc2cccc(Cl)c2)c1 ZINC001231659159 1132338792 /nfs/dbraw/zinc/33/87/92/1132338792.db2.gz HYQJTORICCBTQF-UHFFFAOYSA-N 0 3 269.775 3.953 20 30 CHEDHN CCCCCCCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000841330461 1132350879 /nfs/dbraw/zinc/35/08/79/1132350879.db2.gz GVSFPWUGQNKJIR-UHFFFAOYSA-N 0 3 289.423 3.772 20 30 CHEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC001142306404 1132365031 /nfs/dbraw/zinc/36/50/31/1132365031.db2.gz FZAVECYPBIMYPI-UHFFFAOYSA-N 0 3 294.483 3.559 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001232112720 1132424611 /nfs/dbraw/zinc/42/46/11/1132424611.db2.gz JIOUOUOCHNTSNY-UKRRQHHQSA-N 0 3 274.795 3.834 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(Br)nc1C ZINC001232324145 1132454792 /nfs/dbraw/zinc/45/47/92/1132454792.db2.gz QGBRACUWIHMNMT-UHFFFAOYSA-N 0 3 283.213 3.551 20 30 CHEDHN C[C@H](N)c1nc2ccccc2n1C1CCC(CC#N)CC1 ZINC001173324259 1132460042 /nfs/dbraw/zinc/46/00/42/1132460042.db2.gz KTIZNWRMXQDMLQ-HSBZDZAISA-N 0 3 282.391 3.701 20 30 CHEDHN COc1ccc(F)c(CNC2CCC(CC#N)CC2)c1F ZINC001173330114 1132463851 /nfs/dbraw/zinc/46/38/51/1132463851.db2.gz UHARWESNUZFPIF-UHFFFAOYSA-N 0 3 294.345 3.535 20 30 CHEDHN N#CCC1CCC(NCc2c(F)cc(F)cc2F)CC1 ZINC001173329924 1132464009 /nfs/dbraw/zinc/46/40/09/1132464009.db2.gz PJWMPJQXJTYFSU-UHFFFAOYSA-N 0 3 282.309 3.666 20 30 CHEDHN CC(C)(C)N(Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232475890 1132476500 /nfs/dbraw/zinc/47/65/00/1132476500.db2.gz UNTNOZQIUWPVIV-UHFFFAOYSA-N 0 3 279.387 3.754 20 30 CHEDHN C[C@H]1CN(Cc2c[nH]c3cc(C#N)ccc23)CCC1(F)F ZINC001142911817 1132476496 /nfs/dbraw/zinc/47/64/96/1132476496.db2.gz KSMQKCJOWFHQAH-NSHDSACASA-N 0 3 289.329 3.517 20 30 CHEDHN C=CCOC1CCC(N2CCC[C@@H]2c2cc(C)on2)CC1 ZINC001173319334 1132477316 /nfs/dbraw/zinc/47/73/16/1132477316.db2.gz FYLUHLOKGBZAMX-VMBOVVBDSA-N 0 3 290.407 3.634 20 30 CHEDHN C=CCN(Cc1cc(-c2ccccc2)nn1C)C(C)(C)C ZINC001143017094 1132494866 /nfs/dbraw/zinc/49/48/66/1132494866.db2.gz LYLJPFJSDYRSJL-UHFFFAOYSA-N 0 3 283.419 3.874 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CC[C@H](F)C3)CC2)s1 ZINC001232844887 1132528486 /nfs/dbraw/zinc/52/84/86/1132528486.db2.gz ATJLBWXLHJPMAP-LBPRGKRZSA-N 0 3 278.396 3.724 20 30 CHEDHN C#CC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000843427218 1132533074 /nfs/dbraw/zinc/53/30/74/1132533074.db2.gz VYDXHSKKTSGZRH-UHFFFAOYSA-N 0 3 294.373 3.733 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096950 1132571175 /nfs/dbraw/zinc/57/11/75/1132571175.db2.gz OSWMOCMQBCMKNJ-BETUJISGSA-N 0 3 289.398 3.526 20 30 CHEDHN C=C(C)C[N@@H+](CC)Cc1cc(Br)cc(C)c1[O-] ZINC001233110023 1132572643 /nfs/dbraw/zinc/57/26/43/1132572643.db2.gz OIJYEDYMOZXORQ-UHFFFAOYSA-N 0 3 298.224 3.861 20 30 CHEDHN C=C(C)C[N@H+](CC)Cc1cc(Br)cc(C)c1[O-] ZINC001233110023 1132572646 /nfs/dbraw/zinc/57/26/46/1132572646.db2.gz OIJYEDYMOZXORQ-UHFFFAOYSA-N 0 3 298.224 3.861 20 30 CHEDHN C=CCCC[C@@H](NC(=O)[C@H](CC)N(C)C)c1ccccc1 ZINC001153536391 1132595381 /nfs/dbraw/zinc/59/53/81/1132595381.db2.gz UFJWVNCZHKLWJF-SJORKVTESA-N 0 3 288.435 3.540 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cc(C#N)ccc1F ZINC001173930927 1132644352 /nfs/dbraw/zinc/64/43/52/1132644352.db2.gz BLYPEBFDSYSBMR-UHFFFAOYSA-N 0 3 269.323 3.503 20 30 CHEDHN Cc1ccc(C#N)cc1Nc1ccccc1CN(C)C ZINC001173932337 1132646410 /nfs/dbraw/zinc/64/64/10/1132646410.db2.gz SIZZSALSGILIHL-UHFFFAOYSA-N 0 3 265.360 3.672 20 30 CHEDHN CCN(CC)Cc1cncc(N[C@@H](C#N)c2ccccc2)c1 ZINC001161720901 1133020190 /nfs/dbraw/zinc/02/01/90/1133020190.db2.gz HMGXDLNLVINIQP-SFHVURJKSA-N 0 3 294.402 3.600 20 30 CHEDHN C=CC(C)(C)NCc1cnc(-c2ccsc2)s1 ZINC001203985996 1133392860 /nfs/dbraw/zinc/39/28/60/1133392860.db2.gz FZZAIUYYSKCUNN-UHFFFAOYSA-N 0 3 264.419 3.926 20 30 CHEDHN N#C[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001204164773 1133413202 /nfs/dbraw/zinc/41/32/02/1133413202.db2.gz XHHGSTLTRHSXDK-LBPRGKRZSA-N 0 3 282.309 3.831 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2c(c1)CCO2 ZINC001204491210 1133453770 /nfs/dbraw/zinc/45/37/70/1133453770.db2.gz JRDOSBXDGYOYBW-UHFFFAOYSA-N 0 3 279.383 3.810 20 30 CHEDHN CC(C)C1(C)CCN(Cc2ccc(C#N)cc2F)CC1 ZINC001205485578 1133581245 /nfs/dbraw/zinc/58/12/45/1133581245.db2.gz BVJLKNTZSATOCN-UHFFFAOYSA-N 0 3 274.383 3.955 20 30 CHEDHN C#C[C@@H](NCc1ccc(C(F)F)c(F)c1)C(C)C ZINC001205713628 1133604398 /nfs/dbraw/zinc/60/43/98/1133604398.db2.gz DZCBOQNUNAQUEA-CYBMUJFWSA-N 0 3 255.283 3.511 20 30 CHEDHN CC[C@@H]1CCC[C@H]1CNCc1cccc(F)c1C#N ZINC001205858968 1133623615 /nfs/dbraw/zinc/62/36/15/1133623615.db2.gz FZSRHRBKONNKRF-OLZOCXBDSA-N 0 3 260.356 3.613 20 30 CHEDHN CCCCCCCC[C@@H](C)OCCCN1CCN(C)CC1 ZINC001206591196 1133723693 /nfs/dbraw/zinc/72/36/93/1133723693.db2.gz QUGDBOXTAVDVQF-GOSISDBHSA-N 0 3 298.515 3.780 20 30 CHEDHN CCCCCCC[C@H](CC)OCCCN1CCN(C)CC1 ZINC001206591388 1133724709 /nfs/dbraw/zinc/72/47/09/1133724709.db2.gz SUMNNEXAKJKQKK-SFHVURJKSA-N 0 3 298.515 3.780 20 30 CHEDHN C[C@H](NCC1(C#N)CCCCC1)[C@@H]1COc2ccccc2C1 ZINC001206694927 1133733304 /nfs/dbraw/zinc/73/33/04/1133733304.db2.gz ROBLKNVRTRHPQS-RDJZCZTQSA-N 0 3 298.430 3.690 20 30 CHEDHN CCCN(CCC#N)CC[C@@H](C)CCCC(C)(C)O ZINC001207671187 1133837461 /nfs/dbraw/zinc/83/74/61/1133837461.db2.gz TWVARHZZRRAKBV-HNNXBMFYSA-N 0 3 268.445 3.579 20 30 CHEDHN CCCCCCC/C=C/CN1CC[C@]12CCOC2 ZINC001208122851 1133880714 /nfs/dbraw/zinc/88/07/14/1133880714.db2.gz AVXLFYFXDKYNHP-ROJDOSBLSA-N 0 3 251.414 3.768 20 30 CHEDHN CCCCCCC/C=C/CN1CCC2(CC(=O)CO2)CC1 ZINC001208121059 1133881429 /nfs/dbraw/zinc/88/14/29/1133881429.db2.gz YBPPOMQMJPNACB-CMDGGOBGSA-N 0 3 293.451 3.727 20 30 CHEDHN C=CCCCCCCCN1CCN(c2cccnc2)CC1 ZINC001209438937 1134019647 /nfs/dbraw/zinc/01/96/47/1134019647.db2.gz YSMSWDPQPAMVIX-UHFFFAOYSA-N 0 3 287.451 3.730 20 30 CHEDHN C=CCCCCCCN1CC2(C1)CC(F)(F)CS2 ZINC001209440894 1134021785 /nfs/dbraw/zinc/02/17/85/1134021785.db2.gz RKSWTNUXJYKYTL-UHFFFAOYSA-N 0 3 275.408 3.950 20 30 CHEDHN Cc1ccc2[nH]cc(CN(C)Cc3ccc(C#N)cc3)c2c1 ZINC001209496500 1134030951 /nfs/dbraw/zinc/03/09/51/1134030951.db2.gz DWXWHPZVSFSTTN-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209655331 1134046394 /nfs/dbraw/zinc/04/63/94/1134046394.db2.gz USWOGBBPIRKINO-GFCCVEGCSA-N 0 3 287.794 3.947 20 30 CHEDHN CCc1cc(Nc2ccc3c(c2)CN(C)CC3)ccc1C#N ZINC001216317234 1134850418 /nfs/dbraw/zinc/85/04/18/1134850418.db2.gz OZHDSSXTNIPVFY-UHFFFAOYSA-N 0 3 291.398 3.852 20 30 CHEDHN C=C(C)[C@H]1CC=C(C)[C@H](Oc2cccc3c2CNC3)C1 ZINC001218214257 1135070454 /nfs/dbraw/zinc/07/04/54/1135070454.db2.gz MXRPSIQFQVVUCK-KBXCAEBGSA-N 0 3 269.388 3.970 20 30 CHEDHN C#C[C@H](Oc1cccc2c1CNC2)[C@@H](CC)CCCC ZINC001218291728 1135079814 /nfs/dbraw/zinc/07/98/14/1135079814.db2.gz LETMNZWXHMZSOL-YOEHRIQHSA-N 0 3 271.404 3.887 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2[nH]ccc2c1 ZINC001218806598 1135119987 /nfs/dbraw/zinc/11/99/87/1135119987.db2.gz BJVHUUDYIMBWOM-HNNXBMFYSA-N 0 3 285.391 3.570 20 30 CHEDHN CCc1ccc(-c2ccc(CNCCCC#N)o2)cc1 ZINC000344331873 529574347 /nfs/dbraw/zinc/57/43/47/529574347.db2.gz XQPHWWMAEQXNCY-UHFFFAOYSA-N 0 3 268.360 3.902 20 30 CHEDHN CCc1cnccc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000344296367 529677646 /nfs/dbraw/zinc/67/76/46/529677646.db2.gz LVHLHKFXZHIOPE-UONOGXRCSA-N 0 3 279.387 3.927 20 30 CHEDHN C=C(C)COCCN[C@H]1CCc2cc(Cl)ccc21 ZINC000090450870 260359868 /nfs/dbraw/zinc/35/98/68/260359868.db2.gz BQRXAJDUVCJZTD-HNNXBMFYSA-N 0 3 265.784 3.510 20 30 CHEDHN COC[C@@H](N[C@H](C)c1ccc(C#N)cc1Cl)C(C)C ZINC000574353425 335013237 /nfs/dbraw/zinc/01/32/37/335013237.db2.gz IOSSSMJYSPIPFM-IAQYHMDHSA-N 0 3 280.799 3.533 20 30 CHEDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CCC#N)CC1 ZINC000574449558 335020508 /nfs/dbraw/zinc/02/05/08/335020508.db2.gz CTVOMVQMABIMAO-ZDUSSCGKSA-N 0 3 287.363 3.672 20 30 CHEDHN CC[C@H](CC#N)NCCCCCOc1ccccc1 ZINC000188486697 262157012 /nfs/dbraw/zinc/15/70/12/262157012.db2.gz ZBCMRQHEEJFNMB-OAHLLOKOSA-N 0 3 260.381 3.518 20 30 CHEDHN CCCC[C@@H](COC)N[C@H](C)c1ccc(C#N)cc1F ZINC000512636329 260025395 /nfs/dbraw/zinc/02/53/95/260025395.db2.gz LCEXOJKZMBHIIX-OCCSQVGLSA-N 0 3 278.371 3.553 20 30 CHEDHN Cc1cc([C@H]2CCCN2CCCCC(C)(C)C#N)on1 ZINC000336828171 262397898 /nfs/dbraw/zinc/39/78/98/262397898.db2.gz VNJHZDNFPMIJFK-CQSZACIVSA-N 0 3 275.396 3.840 20 30 CHEDHN COc1ccc(C#N)cc1CN(C)C1CCC(F)(F)CC1 ZINC000347622176 533267609 /nfs/dbraw/zinc/26/76/09/533267609.db2.gz VUVLIBDTEJJVMT-UHFFFAOYSA-N 0 3 294.345 3.577 20 30 CHEDHN CN(CCc1ccc(Cl)cc1)Cc1ccc(C#N)s1 ZINC000179726512 260066135 /nfs/dbraw/zinc/06/61/35/260066135.db2.gz XJEMKPOLBYPVLC-UHFFFAOYSA-N 0 3 290.819 3.948 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000020147900 171035418 /nfs/dbraw/zinc/03/54/18/171035418.db2.gz UYFSRJJGHGEPRG-GFCCVEGCSA-N 0 3 254.308 3.548 20 30 CHEDHN CCN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000020302333 171139505 /nfs/dbraw/zinc/13/95/05/171139505.db2.gz DJCUPZRFRKQXQW-UHFFFAOYSA-N 0 3 250.345 3.580 20 30 CHEDHN C[C@H](N[C@H](c1cccnc1)C1CC1)c1ccc(C#N)cc1 ZINC000344321706 225044740 /nfs/dbraw/zinc/04/47/40/225044740.db2.gz JPNRRXMXNXJUPH-UGSOOPFHSA-N 0 3 277.371 3.755 20 30 CHEDHN C[C@@]12CCN(CCC3(C#N)CCCCC3)C[C@@H]1C2(F)F ZINC000334829767 225326137 /nfs/dbraw/zinc/32/61/37/225326137.db2.gz RZWSCVISBWKJRW-UONOGXRCSA-N 0 3 282.378 3.828 20 30 CHEDHN N#CC(C(=O)c1ccc(-c2ccccc2)cc1)c1ccncn1 ZINC000354467186 227002909 /nfs/dbraw/zinc/00/29/09/227002909.db2.gz KJKIIZYWJKBSEO-QGZVFWFLSA-N 0 3 299.333 3.634 20 30 CHEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CCC2)c(F)c1 ZINC000353081882 228038065 /nfs/dbraw/zinc/03/80/65/228038065.db2.gz FXRGCNAKOJQVRN-UHFFFAOYSA-N 0 3 286.272 3.520 20 30 CHEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000336183008 228208210 /nfs/dbraw/zinc/20/82/10/228208210.db2.gz QQABXEANIGYDSB-SMDDNHRTSA-N 0 3 276.767 3.553 20 30 CHEDHN C=CCC(C)(C)CN[C@@H](C)c1nc2ccccc2n1C ZINC000312584940 260160929 /nfs/dbraw/zinc/16/09/29/260160929.db2.gz VTXCSFDNNRDUKF-ZDUSSCGKSA-N 0 3 271.408 3.826 20 30 CHEDHN COc1ccc(CN(C)Cc2cccc(C)c2)cc1C#N ZINC000087833204 260219195 /nfs/dbraw/zinc/21/91/95/260219195.db2.gz VRMOQXHTJVJSTR-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN N#CC1CCN(CCCOc2ccc3ccccc3c2)CC1 ZINC000068970218 260258717 /nfs/dbraw/zinc/25/87/17/260258717.db2.gz JVECXEZZAQDFNE-UHFFFAOYSA-N 0 3 294.398 3.844 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2F)N(CCCSCC#N)C1 ZINC000074991729 260289110 /nfs/dbraw/zinc/28/91/10/260289110.db2.gz ISSXAGRCZQSGRG-CJNGLKHVSA-N 0 3 292.423 3.855 20 30 CHEDHN C[C@@H]1CCC[C@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000223522357 260305404 /nfs/dbraw/zinc/30/54/04/260305404.db2.gz HSWKHTRIRWLLHT-DOMZBBRYSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000090451320 260359702 /nfs/dbraw/zinc/35/97/02/260359702.db2.gz KXQVUTQMUQFAPZ-LBPRGKRZSA-N 0 3 296.480 3.992 20 30 CHEDHN CN(CCC(C)(C)C#N)Cc1ccc(OC(F)F)cc1 ZINC000157364794 260834512 /nfs/dbraw/zinc/83/45/12/260834512.db2.gz ACEBXPLVKCUTPX-UHFFFAOYSA-N 0 3 282.334 3.660 20 30 CHEDHN C[C@@H]1CN(Cc2cccc(F)c2C#N)[C@H]2CCCC[C@H]12 ZINC000428363228 260855771 /nfs/dbraw/zinc/85/57/71/260855771.db2.gz PZURCCCFCLMDNY-MRRJBJDNSA-N 0 3 272.367 3.708 20 30 CHEDHN CC(C)(C#N)CCCN1CCc2c(F)cccc2C1 ZINC000152685703 261067877 /nfs/dbraw/zinc/06/78/77/261067877.db2.gz FSLQINKFODDXJU-UHFFFAOYSA-N 0 3 260.356 3.514 20 30 CHEDHN Cc1cccc(N2CCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000318381477 261061655 /nfs/dbraw/zinc/06/16/55/261061655.db2.gz GMIAMXORMBMSIJ-UHFFFAOYSA-N 0 3 299.462 3.837 20 30 CHEDHN Cc1cnc(CCN(C)[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000157562893 261148593 /nfs/dbraw/zinc/14/85/93/261148593.db2.gz KQIDYNUYYHXUII-ZDUSSCGKSA-N 0 3 285.416 3.559 20 30 CHEDHN Cc1ccc(C(=O)C(C#N)c2ccccn2)cc1Cl ZINC000103329862 261280336 /nfs/dbraw/zinc/28/03/36/261280336.db2.gz INNCMOCFMJPQPN-LBPRGKRZSA-N 0 3 270.719 3.534 20 30 CHEDHN Cc1cc(NCCCCC#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000181501775 261900206 /nfs/dbraw/zinc/90/02/06/261900206.db2.gz ADXNHYZFKDUHLH-UHFFFAOYSA-N 0 3 284.319 3.557 20 30 CHEDHN CC(C)(CCC#N)CNCc1cc(Cl)cc2c1OCC2 ZINC000184137347 262010784 /nfs/dbraw/zinc/01/07/84/262010784.db2.gz FGAYCXDZHBZGRE-UHFFFAOYSA-N 0 3 292.810 3.694 20 30 CHEDHN CC#CCCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000364047725 262120720 /nfs/dbraw/zinc/12/07/20/262120720.db2.gz SXDXRVGTIIRPGA-CYBMUJFWSA-N 0 3 286.350 3.560 20 30 CHEDHN CC(C)(COCc1ccccc1)NCC#Cc1ccccc1 ZINC000390227213 262159862 /nfs/dbraw/zinc/15/98/62/262159862.db2.gz CWSGLFMJSUAZKN-UHFFFAOYSA-N 0 3 293.410 3.623 20 30 CHEDHN C=CCCC[C@@H](C)N[C@@H](CO)c1cccc(Cl)c1F ZINC000499941154 262246626 /nfs/dbraw/zinc/24/66/26/262246626.db2.gz CGUKFNMFBQPXLP-RISCZKNCSA-N 0 3 285.790 3.847 20 30 CHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccsc1 ZINC000061361408 262394976 /nfs/dbraw/zinc/39/49/76/262394976.db2.gz TUKWTNDUVHJJCL-GFCCVEGCSA-N 0 3 272.373 3.501 20 30 CHEDHN CCN(C(=O)C(C#N)CCc1ccccc1)C1CC(C)(C)C1 ZINC000413991061 262797154 /nfs/dbraw/zinc/79/71/54/262797154.db2.gz UXYWWQPUMXCAEZ-INIZCTEOSA-N 0 3 298.430 3.796 20 30 CHEDHN C[C@@H](NC1(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000271952760 263000662 /nfs/dbraw/zinc/00/06/62/263000662.db2.gz DYVWGTXBJIFVKG-OAHLLOKOSA-N 0 3 292.382 3.929 20 30 CHEDHN CC(C)(C#N)CCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000272055545 263001634 /nfs/dbraw/zinc/00/16/34/263001634.db2.gz VNORRBLOBPPOEM-UHFFFAOYSA-N 0 3 294.402 3.592 20 30 CHEDHN CC[C@@H](c1ccc(F)cc1)N1CCC(C)(C#N)CC1 ZINC000272534219 263006022 /nfs/dbraw/zinc/00/60/22/263006022.db2.gz IXLZYXBQJFOCBD-HNNXBMFYSA-N 0 3 260.356 3.902 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000272558339 263006722 /nfs/dbraw/zinc/00/67/22/263006722.db2.gz SPZQCGJKXVUXFX-UHFFFAOYSA-N 0 3 297.446 3.803 20 30 CHEDHN CC1(C#N)CCN(CCCOc2cccc(Cl)c2)CC1 ZINC000272609337 263007688 /nfs/dbraw/zinc/00/76/88/263007688.db2.gz SAWSZHCGJHAULY-UHFFFAOYSA-N 0 3 292.810 3.735 20 30 CHEDHN CN(CCCCC#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276260412 263035230 /nfs/dbraw/zinc/03/52/30/263035230.db2.gz AXWZZAUBRPMQLZ-GOSISDBHSA-N 0 3 284.403 3.651 20 30 CHEDHN C[C@@H](CCC#N)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000276273884 263035841 /nfs/dbraw/zinc/03/58/41/263035841.db2.gz DMYMAJFMMPRSBG-LRDDRELGSA-N 0 3 260.356 3.949 20 30 CHEDHN CN(CCCCC(C)(C)C#N)Cc1ccc(Cl)nc1 ZINC000277690074 263042971 /nfs/dbraw/zinc/04/29/71/263042971.db2.gz LEHGNYRKUKPAOL-UHFFFAOYSA-N 0 3 279.815 3.887 20 30 CHEDHN CC[C@@H](N[C@H](C)CCC#N)c1ccc(F)cc1F ZINC000278526718 263048606 /nfs/dbraw/zinc/04/86/06/263048606.db2.gz DHRDMDSUYLJFBQ-QMTHXVAHSA-N 0 3 252.308 3.698 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2coc3ccccc23)C1 ZINC000278780750 263050855 /nfs/dbraw/zinc/05/08/55/263050855.db2.gz PSVQOHYCORINKA-JSGCOSHPSA-N 0 3 254.333 3.605 20 30 CHEDHN CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1[O-] ZINC000282157782 263074753 /nfs/dbraw/zinc/07/47/53/263074753.db2.gz DDQHYGFZYSOFGV-XUJLQICISA-N 0 3 272.392 3.763 20 30 CHEDHN CC[C@@](C)(C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000284969463 263088692 /nfs/dbraw/zinc/08/86/92/263088692.db2.gz BEBLARSOFCTXJB-SFHVURJKSA-N 0 3 299.418 3.551 20 30 CHEDHN COC[C@H](NCCCC(C)(C)C#N)c1cccc(Cl)c1 ZINC000288779959 263106082 /nfs/dbraw/zinc/10/60/82/263106082.db2.gz KILYDEIXNCPULJ-HNNXBMFYSA-N 0 3 294.826 3.947 20 30 CHEDHN CC(C)(C#N)CCCN1CCC(F)(c2ccccn2)CC1 ZINC000289346427 263109356 /nfs/dbraw/zinc/10/93/56/263109356.db2.gz MKZCPRJZAAWNKW-UHFFFAOYSA-N 0 3 289.398 3.672 20 30 CHEDHN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293374806 263139575 /nfs/dbraw/zinc/13/95/75/263139575.db2.gz FYVNEEACHFBFBJ-PKOBYXMFSA-N 0 3 297.446 3.801 20 30 CHEDHN CCOc1ccc(C2=CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293715987 263147637 /nfs/dbraw/zinc/14/76/37/263147637.db2.gz FFNUANAALDWXHS-MAUKXSAKSA-N 0 3 296.414 3.867 20 30 CHEDHN CN(CCOCCC#N)C1c2ccccc2-c2ccccc21 ZINC000293721672 263147709 /nfs/dbraw/zinc/14/77/09/263147709.db2.gz FSLHOJCESJBGAN-UHFFFAOYSA-N 0 3 292.382 3.618 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(C2CC2)c1 ZINC000294457652 263161928 /nfs/dbraw/zinc/16/19/28/263161928.db2.gz WAQOKMXEYYBBPB-DCGLDWPTSA-N 0 3 254.377 3.907 20 30 CHEDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1[O-] ZINC000295125290 263172577 /nfs/dbraw/zinc/17/25/77/263172577.db2.gz XFBWKUXMXIPFOA-FZMZJTMJSA-N 0 3 278.783 3.526 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2c(F)cccc2Cl)C1 ZINC000295135260 263173151 /nfs/dbraw/zinc/17/31/51/263173151.db2.gz YTGODOHMTWSRPV-QWRGUYRKSA-N 0 3 266.747 3.651 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCc3sc(Cl)cc32)C1 ZINC000353576035 263182726 /nfs/dbraw/zinc/18/27/26/263182726.db2.gz MJZCNEGBNWKEBS-KKZNHRDASA-N 0 3 266.797 3.671 20 30 CHEDHN CN(CCCC(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296161102 263187008 /nfs/dbraw/zinc/18/70/08/263187008.db2.gz HHSPLUPJRFMEBP-OAHLLOKOSA-N 0 3 294.826 3.635 20 30 CHEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000298739054 263225382 /nfs/dbraw/zinc/22/53/82/263225382.db2.gz BVEDWIAXNXICAC-CABCVRRESA-N 0 3 271.408 3.630 20 30 CHEDHN CCOc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1OCC ZINC000299722591 263254081 /nfs/dbraw/zinc/25/40/81/263254081.db2.gz STASBAHQVJAYTA-KBPBESRZSA-N 0 3 290.407 3.827 20 30 CHEDHN C=CC[C@@H](CO)CN[C@@H](CCC(C)C)c1ccoc1 ZINC000353625582 263276783 /nfs/dbraw/zinc/27/67/83/263276783.db2.gz VYUDIBMQDPCMSZ-ZBFHGGJFSA-N 0 3 265.397 3.531 20 30 CHEDHN C=CCN(CCCCCF)Cc1cccc(C#N)c1 ZINC000341832483 263353504 /nfs/dbraw/zinc/35/35/04/263353504.db2.gz AZZXGUPCHXTFOB-UHFFFAOYSA-N 0 3 260.356 3.686 20 30 CHEDHN COCC1(C#N)CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000341988481 263381222 /nfs/dbraw/zinc/38/12/22/263381222.db2.gz JXXXQSJANFIBCB-UHFFFAOYSA-N 0 3 286.419 3.562 20 30 CHEDHN Cc1cc(C)c2c(c1)[C@@H](NCC1(CC#N)CC1)CCCO2 ZINC000366767787 263405925 /nfs/dbraw/zinc/40/59/25/263405925.db2.gz NBDGLZGHPRICOC-INIZCTEOSA-N 0 3 284.403 3.801 20 30 CHEDHN C[C@@H]1CCC[C@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000330790915 264053849 /nfs/dbraw/zinc/05/38/49/264053849.db2.gz ABPILIDDKVQEFT-AVRGHOLYSA-N 0 3 285.391 3.549 20 30 CHEDHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000331350731 264206379 /nfs/dbraw/zinc/20/63/79/264206379.db2.gz NXCDECHUUGCJRQ-ATLSCFEFSA-N 0 3 298.430 3.700 20 30 CHEDHN Cn1cc(CN[C@H](c2ccccc2)C(C)(C)C)cc1C#N ZINC000189583535 264310253 /nfs/dbraw/zinc/31/02/53/264310253.db2.gz BGXHQJLNEPTAON-QGZVFWFLSA-N 0 3 281.403 3.774 20 30 CHEDHN Cc1c2ccccc2oc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000334503816 264352470 /nfs/dbraw/zinc/35/24/70/264352470.db2.gz AHTQZWFKJLIMSV-OLZOCXBDSA-N 0 3 254.333 3.523 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000349846479 265210678 /nfs/dbraw/zinc/21/06/78/265210678.db2.gz BRJQYLKTXZIKDJ-BXKDBHETSA-N 0 3 286.272 3.626 20 30 CHEDHN C=CCCC1(C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000356303063 266092164 /nfs/dbraw/zinc/09/21/64/266092164.db2.gz NAVARTDRELYRTQ-UHFFFAOYSA-N 0 3 286.419 3.742 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)CC12CCC2 ZINC000361867061 266896928 /nfs/dbraw/zinc/89/69/28/266896928.db2.gz XZYGFRNMHSKASU-ZDUSSCGKSA-N 0 3 272.367 3.709 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000367973852 267131583 /nfs/dbraw/zinc/13/15/83/267131583.db2.gz QRYMPKJZYPPULQ-DYVFJYSZSA-N 0 3 284.403 3.598 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccnc1C ZINC000119274242 267314706 /nfs/dbraw/zinc/31/47/06/267314706.db2.gz SFQWGMRSZXOAMT-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000119328067 267322945 /nfs/dbraw/zinc/32/29/45/267322945.db2.gz IDFXMHYJXUFRCE-NWDGAFQWSA-N 0 3 273.355 3.545 20 30 CHEDHN Cc1ccc([C@@H]2CCC[C@H]2NCC2(C#N)CCC2)cc1 ZINC000418137953 267371874 /nfs/dbraw/zinc/37/18/74/267371874.db2.gz FPFFYTUZYWODAQ-DLBZAZTESA-N 0 3 268.404 3.915 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCCOc3c(F)cccc32)C1 ZINC000185892173 327850173 /nfs/dbraw/zinc/85/01/73/327850173.db2.gz RCRSTSIKEGTWNP-ZENOOKHLSA-N 0 3 288.366 3.711 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000364450086 327883830 /nfs/dbraw/zinc/88/38/30/327883830.db2.gz TVOKOMWTPNNMNG-LSDHHAIUSA-N 0 3 290.455 3.790 20 30 CHEDHN C=C(CC)CN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000563641281 328079764 /nfs/dbraw/zinc/07/97/64/328079764.db2.gz GQBWCFXMVRPCHL-AWEZNQCLSA-N 0 3 287.325 3.949 20 30 CHEDHN CC[C@H](NCCOC1CCCC1)c1ccc(C#N)cc1 ZINC000571251324 328094612 /nfs/dbraw/zinc/09/46/12/328094612.db2.gz SLAYDRXHAJJQSB-KRWDZBQOSA-N 0 3 272.392 3.558 20 30 CHEDHN CN(C[C@H]1OCCc2ccccc21)CC(C)(C)CCC#N ZINC000271149669 328195257 /nfs/dbraw/zinc/19/52/57/328195257.db2.gz SWWIXXBEPUYUBL-QGZVFWFLSA-N 0 3 286.419 3.562 20 30 CHEDHN CSc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000282510797 328242552 /nfs/dbraw/zinc/24/25/52/328242552.db2.gz YXXKEUZQNACCPN-YRGRVCCFSA-N 0 3 260.406 3.751 20 30 CHEDHN CN(Cc1ccc(Cl)c(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000293927557 328278578 /nfs/dbraw/zinc/27/85/78/328278578.db2.gz YMNSJWDUOSVWPZ-PWSUYJOCSA-N 0 3 266.747 3.603 20 30 CHEDHN CC(C)[C@H](NCCOCCC#N)c1ccc(Cl)cc1F ZINC000294363933 328280677 /nfs/dbraw/zinc/28/06/77/328280677.db2.gz AVMHYHFJPCKMFD-HNNXBMFYSA-N 0 3 298.789 3.696 20 30 CHEDHN C=CC(C)(C)CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000453305106 328297624 /nfs/dbraw/zinc/29/76/24/328297624.db2.gz HBFGNOLVBGCXBM-LLVKDONJSA-N 0 3 281.371 3.706 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)o2)[C@@H]2CCCC[C@H]12 ZINC000535072790 328383782 /nfs/dbraw/zinc/38/37/82/328383782.db2.gz OVKVMZJSZVZDMH-DAXOMENPSA-N 0 3 258.365 3.552 20 30 CHEDHN CC1(C)CCC(C)(CNC[C@@H](C#N)CCC#N)CC1 ZINC000557258493 326998886 /nfs/dbraw/zinc/99/88/86/326998886.db2.gz RNOIRCXUHNBJJO-CQSZACIVSA-N 0 3 261.413 3.626 20 30 CHEDHN N#CC1(CN(CCc2cccc(F)c2)C2CCCC2)CC1 ZINC000557703839 327021616 /nfs/dbraw/zinc/02/16/16/327021616.db2.gz CJPLQXHGSDACST-UHFFFAOYSA-N 0 3 286.394 3.917 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000564860514 327028821 /nfs/dbraw/zinc/02/88/21/327028821.db2.gz RPWNLHQJFNBYTF-AGIUHOORSA-N 0 3 287.329 3.531 20 30 CHEDHN C=CCC[C@@H](N[C@@H]1CSC1(C)C)c1ccco1 ZINC000584129263 327047449 /nfs/dbraw/zinc/04/74/49/327047449.db2.gz RQWBKJYAPSDFRM-DGCLKSJQSA-N 0 3 251.395 3.771 20 30 CHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cc(OC)ncc1F ZINC000558254360 327082564 /nfs/dbraw/zinc/08/25/64/327082564.db2.gz CALOVSFSYUWXCC-NEPJUHHUSA-N 0 3 266.360 3.625 20 30 CHEDHN COc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1C ZINC000558500106 327098226 /nfs/dbraw/zinc/09/82/26/327098226.db2.gz FBBNCKFOBKWLQA-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCCOC1CCCCCC1)CC2 ZINC000558492657 327098329 /nfs/dbraw/zinc/09/83/29/327098329.db2.gz FSYZRONQSVARAG-IBGZPJMESA-N 0 3 298.430 3.875 20 30 CHEDHN CCN(CCCSCC#N)Cc1ccccc1Cl ZINC000074981556 327122908 /nfs/dbraw/zinc/12/29/08/327122908.db2.gz ZTBNUKMSEZNMJK-UHFFFAOYSA-N 0 3 282.840 3.809 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000313501018 327134179 /nfs/dbraw/zinc/13/41/79/327134179.db2.gz QKGPKOJVPYSQNO-LLVKDONJSA-N 0 3 255.308 3.905 20 30 CHEDHN COc1cc(CN2CCC(CC#N)CC2)cc2ccccc21 ZINC000569543920 327196138 /nfs/dbraw/zinc/19/61/38/327196138.db2.gz LISDXTDFJQGFKG-UHFFFAOYSA-N 0 3 294.398 3.974 20 30 CHEDHN CCCCN(C(=O)C(C)C#N)[C@@H](C)c1ccccc1 ZINC000531061223 327236609 /nfs/dbraw/zinc/23/66/09/327236609.db2.gz OTFYRTMHYJZPPY-KGLIPLIRSA-N 0 3 258.365 3.536 20 30 CHEDHN C[C@H]1CCC[C@@H](N(C)Cc2cc(C#N)ccc2F)C1 ZINC000042373857 327237495 /nfs/dbraw/zinc/23/74/95/327237495.db2.gz KXMMZFFPPOFBFM-SWLSCSKDSA-N 0 3 260.356 3.708 20 30 CHEDHN Cn1cc(CN2CC[C@@H](c3cccc(Cl)c3)C2)cc1C#N ZINC000560569703 327325605 /nfs/dbraw/zinc/32/56/05/327325605.db2.gz PQAXTQFAWXGUTD-OAHLLOKOSA-N 0 3 299.805 3.540 20 30 CHEDHN FC(F)(F)c1ccc(C#CCNCc2ccccc2)cc1 ZINC000237834505 327349951 /nfs/dbraw/zinc/34/99/51/327349951.db2.gz SWSAOXAZGQIHPT-UHFFFAOYSA-N 0 3 289.300 3.847 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c3c2CCC3)n1 ZINC000583423304 327356066 /nfs/dbraw/zinc/35/60/66/327356066.db2.gz AWSYHXDNRFEDIU-HNNXBMFYSA-N 0 3 296.395 3.739 20 30 CHEDHN CC(C)c1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000561018018 327358992 /nfs/dbraw/zinc/35/89/92/327358992.db2.gz QGTCDRPLHXKEHJ-WBVHZDCISA-N 0 3 256.393 3.934 20 30 CHEDHN CCOCC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000570123385 327570687 /nfs/dbraw/zinc/57/06/87/327570687.db2.gz JOPMWXCQEAPZNN-LBPRGKRZSA-N 0 3 294.826 3.925 20 30 CHEDHN C=CC[C@@H](CC)NCc1nn(CC)c2ccccc12 ZINC000281288794 327603153 /nfs/dbraw/zinc/60/31/53/327603153.db2.gz ILKCDHWQSSFYHZ-CYBMUJFWSA-N 0 3 257.381 3.501 20 30 CHEDHN C[C@H](NC/C=C/c1ccccc1)c1ccc(C#N)cc1 ZINC000051790046 328634165 /nfs/dbraw/zinc/63/41/65/328634165.db2.gz BJCJEZNNQVOPCQ-PXTSUWAFSA-N 0 3 262.356 3.922 20 30 CHEDHN CCO[C@H](CCN[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000358596846 328889134 /nfs/dbraw/zinc/88/91/34/328889134.db2.gz WHFNJWBPYJGAIM-CXAGYDPISA-N 0 3 292.398 3.799 20 30 CHEDHN C=CCCC[C@@H](C)NCc1ccc(Br)o1 ZINC000308839307 332829033 /nfs/dbraw/zinc/82/90/33/332829033.db2.gz JKWOTGDOXSGMKB-SNVBAGLBSA-N 0 3 272.186 3.877 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)s1 ZINC000377781865 329029207 /nfs/dbraw/zinc/02/92/07/329029207.db2.gz TUSZVNIUAJLEGF-PBHICJAKSA-N 0 3 298.411 3.630 20 30 CHEDHN C=CCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175852742 329171877 /nfs/dbraw/zinc/17/18/77/329171877.db2.gz KTRVSJMAZAGWEG-KGLIPLIRSA-N 0 3 265.422 3.602 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180931742 329224235 /nfs/dbraw/zinc/22/42/35/329224235.db2.gz ZJMZMXAQLBWAAJ-AWEZNQCLSA-N 0 3 252.361 3.975 20 30 CHEDHN C=CCC1(C(=O)Nc2cc(CN(C)C)ccc2C)CCC1 ZINC000188945793 329373193 /nfs/dbraw/zinc/37/31/93/329373193.db2.gz DQGOCUZJCIJINF-UHFFFAOYSA-N 0 3 286.419 3.742 20 30 CHEDHN Cc1cccc2nc(C3CCN(CCCC#N)CC3)oc21 ZINC000189802586 329389130 /nfs/dbraw/zinc/38/91/30/329389130.db2.gz QJPDSEHJGDIFBQ-UHFFFAOYSA-N 0 3 283.375 3.619 20 30 CHEDHN Cc1cccc(OC[C@@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000421324321 329812236 /nfs/dbraw/zinc/81/22/36/329812236.db2.gz JMYQCXLGMSSXIQ-CQSZACIVSA-N 0 3 298.361 3.563 20 30 CHEDHN C=C(C)CN1CCC(Nc2ncccc2C(F)(F)F)CC1 ZINC000264449563 330061448 /nfs/dbraw/zinc/06/14/48/330061448.db2.gz COQMXLAOUQZVIQ-UHFFFAOYSA-N 0 3 299.340 3.553 20 30 CHEDHN C#CC[C@H](NCc1ccc(OC)c(C)c1)c1ccccc1 ZINC000270135378 330073184 /nfs/dbraw/zinc/07/31/84/330073184.db2.gz ABEUMPRRFWOMJL-SFHVURJKSA-N 0 3 279.383 3.858 20 30 CHEDHN C#CC[C@@H](NCc1ccc(OCC)cc1)c1ccccc1 ZINC000270171320 330073715 /nfs/dbraw/zinc/07/37/15/330073715.db2.gz HQTBBXYPVOXFRS-LJQANCHMSA-N 0 3 279.383 3.940 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CCO[C@H](CC)C1)c1ccco1 ZINC000421858235 330089823 /nfs/dbraw/zinc/08/98/23/330089823.db2.gz PIZSOZSEFCFYJS-KFWWJZLASA-N 0 3 263.381 3.834 20 30 CHEDHN COc1ccc([C@H](NCC2(CC#N)CC2)C(C)C)c(F)c1 ZINC000421861448 330098168 /nfs/dbraw/zinc/09/81/68/330098168.db2.gz VWESYPWMGUDKTC-MRXNPFEDSA-N 0 3 290.382 3.815 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)s1)c1cccc(F)c1 ZINC000421870522 330100190 /nfs/dbraw/zinc/10/01/90/330100190.db2.gz FLGGVYRKNPMJPK-HNNXBMFYSA-N 0 3 274.364 4.000 20 30 CHEDHN C=CCC[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccco1 ZINC000276387592 330113125 /nfs/dbraw/zinc/11/31/25/330113125.db2.gz AWTWTTYJMDEPHC-HZPDHXFCSA-N 0 3 297.402 3.550 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000278881354 330120802 /nfs/dbraw/zinc/12/08/02/330120802.db2.gz ZOCXFZFVDQZFPO-NHYWBVRUSA-N 0 3 283.387 3.925 20 30 CHEDHN C=CCCCNCc1csc(-c2ccsc2)n1 ZINC000279235318 330122780 /nfs/dbraw/zinc/12/27/80/330122780.db2.gz ZFLMKBHFFWPLTF-UHFFFAOYSA-N 0 3 264.419 3.927 20 30 CHEDHN Cc1cncc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433019938 330124292 /nfs/dbraw/zinc/12/42/92/330124292.db2.gz LMBWJPUDARXEFP-SFHVURJKSA-N 0 3 279.387 3.915 20 30 CHEDHN C=CCC[C@H](NC[C@H]1NCCc2ccccc21)c1ccco1 ZINC000423445489 330202196 /nfs/dbraw/zinc/20/21/96/330202196.db2.gz YHDOPOSPPQEXCB-ZWKOTPCHSA-N 0 3 296.414 3.764 20 30 CHEDHN C[C@H](NCc1ccc2c(c1)CCCN2)c1ccc(C#N)cc1 ZINC000423454765 330203464 /nfs/dbraw/zinc/20/34/64/330203464.db2.gz ZNUNPESMEOOFRJ-AWEZNQCLSA-N 0 3 291.398 3.767 20 30 CHEDHN CC[C@@H](CCc1ccccc1)NCc1ccc(C#N)o1 ZINC000527764812 330281625 /nfs/dbraw/zinc/28/16/25/330281625.db2.gz YWGYGSRFDOORMQ-HNNXBMFYSA-N 0 3 268.360 3.652 20 30 CHEDHN N#CCC1(CN[C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527891892 330292437 /nfs/dbraw/zinc/29/24/37/330292437.db2.gz FIIMPARLGDQSRK-CQSZACIVSA-N 0 3 278.758 3.750 20 30 CHEDHN CC(C)Cc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000527916669 330295182 /nfs/dbraw/zinc/29/51/82/330295182.db2.gz BJJYVUWAOKJOHG-YOEHRIQHSA-N 0 3 256.393 3.667 20 30 CHEDHN Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1C(F)(F)F ZINC000424195069 330324577 /nfs/dbraw/zinc/32/45/77/330324577.db2.gz CDSQMGRINDRHKK-WCQYABFASA-N 0 3 282.309 3.796 20 30 CHEDHN C=CCN1CC=C(c2c[nH]c3cc(C)ccc23)CC1 ZINC000533028551 330324776 /nfs/dbraw/zinc/32/47/76/330324776.db2.gz ZAFDSDOCGHGZJO-UHFFFAOYSA-N 0 3 252.361 3.751 20 30 CHEDHN C=CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424198412 330326049 /nfs/dbraw/zinc/32/60/49/330326049.db2.gz PCOIQIJFGQGYMI-GXTWGEPZSA-N 0 3 290.794 3.687 20 30 CHEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2C2CCCC2)c1 ZINC000044352394 330329270 /nfs/dbraw/zinc/32/92/70/330329270.db2.gz NPNJTDZTRWJFNI-QGZVFWFLSA-N 0 3 272.367 3.852 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000424316728 330339581 /nfs/dbraw/zinc/33/95/81/330339581.db2.gz BFHBFMZVIRQHEU-YCPHGPKFSA-N 0 3 282.387 3.715 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000424328015 330341575 /nfs/dbraw/zinc/34/15/75/330341575.db2.gz NPNOZHRFZBCGFX-ZKYQVNSYSA-N 0 3 276.380 3.644 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000424327900 330341631 /nfs/dbraw/zinc/34/16/31/330341631.db2.gz NEOGNFODLMTGHE-VXGBXAGGSA-N 0 3 296.436 3.715 20 30 CHEDHN Cc1cc(C)c2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424329606 330341901 /nfs/dbraw/zinc/34/19/01/330341901.db2.gz PPEGNFZXPXVVAW-UXLLHSPISA-N 0 3 284.403 3.799 20 30 CHEDHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc(C)c1F ZINC000424335549 330343402 /nfs/dbraw/zinc/34/34/02/330343402.db2.gz WXDFETLZWFUDLD-KCQAQPDRSA-N 0 3 260.356 3.785 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424359310 330346832 /nfs/dbraw/zinc/34/68/32/330346832.db2.gz YIZZVBDDBZPIFL-XZJROXQQSA-N 0 3 295.810 3.733 20 30 CHEDHN N#Cc1ccc(CNCCc2ccccc2Cl)c(F)c1 ZINC000533311741 330357116 /nfs/dbraw/zinc/35/71/16/330357116.db2.gz KWJWURMNRCYIHQ-UHFFFAOYSA-N 0 3 288.753 3.683 20 30 CHEDHN C[C@H]1CCC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000533322771 330357444 /nfs/dbraw/zinc/35/74/44/330357444.db2.gz HQBATLHIHRXORG-YOEHRIQHSA-N 0 3 259.368 3.688 20 30 CHEDHN C=C(CC)CN(C)Cc1ccccc1N1CCCC1 ZINC000536882589 330360968 /nfs/dbraw/zinc/36/09/68/330360968.db2.gz UTAUREWWUMZKPN-UHFFFAOYSA-N 0 3 258.409 3.685 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000119350334 330372489 /nfs/dbraw/zinc/37/24/89/330372489.db2.gz CJUAOXGNQVEVNK-ZJUUUORDSA-N 0 3 252.427 3.974 20 30 CHEDHN C=C(C)CNCc1ccc(OCCC)c(OCC)c1 ZINC000119614433 330377492 /nfs/dbraw/zinc/37/74/92/330377492.db2.gz UODXCLSZQJBLHV-UHFFFAOYSA-N 0 3 263.381 3.540 20 30 CHEDHN C=C(C)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000119662709 330378295 /nfs/dbraw/zinc/37/82/95/330378295.db2.gz IHMTWAPOBMZMGJ-UHFFFAOYSA-N 0 3 292.382 3.803 20 30 CHEDHN N#CC1CCN(CCCOc2cccc3ccccc32)CC1 ZINC000057872779 330379256 /nfs/dbraw/zinc/37/92/56/330379256.db2.gz XOISDZCGIGBIMW-UHFFFAOYSA-N 0 3 294.398 3.844 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1sc(C(C)C)nc1C ZINC000090451103 330392528 /nfs/dbraw/zinc/39/25/28/330392528.db2.gz URERSHRKQJYTQG-LBPRGKRZSA-N 0 3 282.453 3.818 20 30 CHEDHN C=CCN[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000537058118 330395377 /nfs/dbraw/zinc/39/53/77/330395377.db2.gz KRVYFQRPVHNJOD-KRWDZBQOSA-N 0 3 297.398 3.763 20 30 CHEDHN C=CCC[C@@H](NCc1csc(CC)n1)C1CC1 ZINC000121076356 330396069 /nfs/dbraw/zinc/39/60/69/330396069.db2.gz BVOQUEBAFVIQRW-CYBMUJFWSA-N 0 3 250.411 3.540 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1Cl)C(C)C ZINC000537085633 330397544 /nfs/dbraw/zinc/39/75/44/330397544.db2.gz JTJWQGCEWMWGQG-CZUORRHYSA-N 0 3 281.827 3.954 20 30 CHEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(Cl)s1 ZINC000083638490 330481539 /nfs/dbraw/zinc/48/15/39/330481539.db2.gz AIVRJOAPGZJCKG-SECBINFHSA-N 0 3 256.802 3.992 20 30 CHEDHN Cc1nc(-c2ccc(CN[C@H]3CC[C@@H](C#N)C3)cc2)cs1 ZINC000516142531 330487384 /nfs/dbraw/zinc/48/73/84/330487384.db2.gz LIEQGKFLHBOWBV-ZBFHGGJFSA-N 0 3 297.427 3.900 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1cc2ccccc2o1 ZINC000430758200 330573446 /nfs/dbraw/zinc/57/34/46/330573446.db2.gz ZVWNUYLFAQTNSL-GFCCVEGCSA-N 0 3 254.333 3.777 20 30 CHEDHN N#CC1CCC(CNCc2ccsc2Cl)CC1 ZINC000441381489 330767367 /nfs/dbraw/zinc/76/73/67/330767367.db2.gz QHYUKUNFLQJGMH-UHFFFAOYSA-N 0 3 268.813 3.821 20 30 CHEDHN Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)c(C)c1 ZINC000443980296 330808267 /nfs/dbraw/zinc/80/82/67/330808267.db2.gz QKLGXAVUDJCRGH-IBGZPJMESA-N 0 3 276.383 3.952 20 30 CHEDHN CC[C@H](NC[C@@H](C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000447602448 330873288 /nfs/dbraw/zinc/87/32/88/330873288.db2.gz ULZOEMNMHQVODO-MFKMUULPSA-N 0 3 270.298 3.797 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000449072474 330897260 /nfs/dbraw/zinc/89/72/60/330897260.db2.gz KQIQAMSTJOSGIW-LSDHHAIUSA-N 0 3 290.455 3.790 20 30 CHEDHN CC#CCCNCc1cnc(-c2c(F)cccc2F)s1 ZINC000449221925 330907129 /nfs/dbraw/zinc/90/71/29/330907129.db2.gz BQKTUFJJDUWGJL-UHFFFAOYSA-N 0 3 292.354 3.591 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000449353142 330917878 /nfs/dbraw/zinc/91/78/78/330917878.db2.gz YLULOCITTDLVGP-NSODJVPESA-N 0 3 276.330 3.624 20 30 CHEDHN C=CCC[C@@H](C)NCc1nc(C)c(Br)s1 ZINC000449400085 330922477 /nfs/dbraw/zinc/92/24/77/330922477.db2.gz HCVBZQYXICBFFT-MRVPVSSYSA-N 0 3 289.242 3.658 20 30 CHEDHN C=CC(C)(C)CNCc1cnc(C2CCC2)s1 ZINC000449484462 330929799 /nfs/dbraw/zinc/92/97/99/330929799.db2.gz HJMNHKMDFXDUOJ-UHFFFAOYSA-N 0 3 250.411 3.712 20 30 CHEDHN C=C(CC)CNCc1cnc(C2CCCC2)s1 ZINC000449732347 330946305 /nfs/dbraw/zinc/94/63/05/330946305.db2.gz LKZGXVOTERVTKO-UHFFFAOYSA-N 0 3 250.411 3.857 20 30 CHEDHN CCCc1cccc(CNCc2ccc(C#N)c(F)c2)c1 ZINC000449736974 330947267 /nfs/dbraw/zinc/94/72/67/330947267.db2.gz PTUAIZUIFPLDNM-UHFFFAOYSA-N 0 3 282.362 3.940 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000450823400 331001254 /nfs/dbraw/zinc/00/12/54/331001254.db2.gz UPBOSYNKWSKCLI-IRXDYDNUSA-N 0 3 268.404 3.681 20 30 CHEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000450978878 331009807 /nfs/dbraw/zinc/00/98/07/331009807.db2.gz GOXNPXOQFNDFAZ-KSZLIROESA-N 0 3 280.415 3.948 20 30 CHEDHN C=CCCN1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451019333 331012044 /nfs/dbraw/zinc/01/20/44/331012044.db2.gz UPCNAXKAJNSIJH-HNNXBMFYSA-N 0 3 255.365 3.584 20 30 CHEDHN C=CCCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451019333 331012045 /nfs/dbraw/zinc/01/20/45/331012045.db2.gz UPCNAXKAJNSIJH-HNNXBMFYSA-N 0 3 255.365 3.584 20 30 CHEDHN N#Cc1c(F)cccc1CN[C@H]1CCC12CCCC2 ZINC000451458128 331030225 /nfs/dbraw/zinc/03/02/25/331030225.db2.gz NZRVZCAIXQVJDR-HNNXBMFYSA-N 0 3 258.340 3.510 20 30 CHEDHN C=CCCC[C@H](C)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451882065 331046178 /nfs/dbraw/zinc/04/61/78/331046178.db2.gz QQKCDBRTSLIULL-KGLIPLIRSA-N 0 3 292.389 3.547 20 30 CHEDHN C=CCCCCCN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451883660 331046194 /nfs/dbraw/zinc/04/61/94/331046194.db2.gz VKEIITWPRZBFRU-CQSZACIVSA-N 0 3 292.389 3.549 20 30 CHEDHN C=CC(C)(C)CN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000453310498 331114602 /nfs/dbraw/zinc/11/46/02/331114602.db2.gz RIKHZPZJXNUUTJ-AWEZNQCLSA-N 0 3 298.434 3.747 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000453325176 331116994 /nfs/dbraw/zinc/11/69/94/331116994.db2.gz UDGNDGHQIOAHIW-LBPRGKRZSA-N 0 3 290.798 3.538 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc2ccccc2o1 ZINC000453336919 331118630 /nfs/dbraw/zinc/11/86/30/331118630.db2.gz GECFYIYPAKMXAE-YUELXQCFSA-N 0 3 271.360 3.817 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000453352594 331121092 /nfs/dbraw/zinc/12/10/92/331121092.db2.gz JSGVGIWPBLPIGS-ZMYBRWDISA-N 0 3 294.398 3.743 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(SCC)cc1 ZINC000453366402 331123075 /nfs/dbraw/zinc/12/30/75/331123075.db2.gz QXYPYABONYFZGB-MAZHCROVSA-N 0 3 277.433 3.793 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnc2ccsc2c1 ZINC000453376230 331124871 /nfs/dbraw/zinc/12/48/71/331124871.db2.gz XSPVKDUBFZAXJM-KYOSRNDESA-N 0 3 288.416 3.681 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000453376714 331124933 /nfs/dbraw/zinc/12/49/33/331124933.db2.gz YCLJVOGDZFZPOV-UHTWSYAYSA-N 0 3 294.464 3.743 20 30 CHEDHN C=C(CC)CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000453379402 331125539 /nfs/dbraw/zinc/12/55/39/331125539.db2.gz WCICNXBVFHYHNI-OAHLLOKOSA-N 0 3 257.377 3.989 20 30 CHEDHN C[C@H](NC[C@@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1F ZINC000453426019 331130988 /nfs/dbraw/zinc/13/09/88/331130988.db2.gz OIEJTBHBLKZGTR-GXTWGEPZSA-N 0 3 290.382 3.553 20 30 CHEDHN Cc1cc(Br)c(CNCCCCC#N)s1 ZINC000453584721 331134948 /nfs/dbraw/zinc/13/49/48/331134948.db2.gz HNRUCADYAYWADG-UHFFFAOYSA-N 0 3 287.226 3.603 20 30 CHEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000456649043 331198246 /nfs/dbraw/zinc/19/82/46/331198246.db2.gz BZRVBGVKGHRSSF-QZTJIDSGSA-N 0 3 298.430 3.844 20 30 CHEDHN CC(C)(CCC#N)CN1CC(Cc2ccc(F)c(F)c2)C1 ZINC000459635219 331291313 /nfs/dbraw/zinc/29/13/13/331291313.db2.gz YHLGUOOMSALZPQ-UHFFFAOYSA-N 0 3 292.373 3.769 20 30 CHEDHN COc1ccc(C)cc1[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000459650321 331292231 /nfs/dbraw/zinc/29/22/31/331292231.db2.gz MFXKUYZINIEHNX-ILXRZTDVSA-N 0 3 272.392 3.737 20 30 CHEDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000459658776 331292632 /nfs/dbraw/zinc/29/26/32/331292632.db2.gz PZOQRTCXKSYOSZ-HNNXBMFYSA-N 0 3 294.398 3.921 20 30 CHEDHN CC(C)(CC#N)CNCc1ccccc1OC(F)(F)F ZINC000459688038 331294504 /nfs/dbraw/zinc/29/45/04/331294504.db2.gz HNDWITDFDMDVMB-UHFFFAOYSA-N 0 3 286.297 3.615 20 30 CHEDHN CN(CC1(C#N)CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459696186 331294869 /nfs/dbraw/zinc/29/48/69/331294869.db2.gz JVOKQBFHSMMTLQ-CVEARBPZSA-N 0 3 254.377 3.558 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459717339 331295494 /nfs/dbraw/zinc/29/54/94/331295494.db2.gz WWIIZHLAFQHUJV-TZQJONAQSA-N 0 3 295.448 3.511 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459717340 331295566 /nfs/dbraw/zinc/29/55/66/331295566.db2.gz WWIIZHLAFQHUJV-UQFNBPPOSA-N 0 3 295.448 3.511 20 30 CHEDHN CC(C#N)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000461980513 331316516 /nfs/dbraw/zinc/31/65/16/331316516.db2.gz BWJJVEISRXJAHU-LBPRGKRZSA-N 0 3 290.794 3.775 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000462012723 331316732 /nfs/dbraw/zinc/31/67/32/331316732.db2.gz ZVVFJMULAPQCNV-ZDUSSCGKSA-N 0 3 288.366 3.647 20 30 CHEDHN CC(C)c1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000462762721 331327882 /nfs/dbraw/zinc/32/78/82/331327882.db2.gz KYTFPRAIFBAEMB-UHFFFAOYSA-N 0 3 294.398 3.850 20 30 CHEDHN CC[C@@H]1CCCCN1CCNc1c(Cl)cccc1C#N ZINC000462833560 331332028 /nfs/dbraw/zinc/33/20/28/331332028.db2.gz JWRDRBXYVKPUMK-CQSZACIVSA-N 0 3 291.826 3.888 20 30 CHEDHN CCC1(CC)CN(Cc2cccc(C#N)c2)CCS1 ZINC000464576015 331363013 /nfs/dbraw/zinc/36/30/13/331363013.db2.gz CTJHXUGJBHRAID-UHFFFAOYSA-N 0 3 274.433 3.666 20 30 CHEDHN C=CC[C@H](CC)NCc1nc2cc(Cl)ccc2n1C ZINC000466402530 331395177 /nfs/dbraw/zinc/39/51/77/331395177.db2.gz XQYYVGIIKBNZLW-LBPRGKRZSA-N 0 3 277.799 3.671 20 30 CHEDHN C=CCCCCN[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000471884824 331523247 /nfs/dbraw/zinc/52/32/47/331523247.db2.gz MIJITDBOOHNXPB-QGZVFWFLSA-N 0 3 288.435 3.542 20 30 CHEDHN C=CCCCCNCc1ccc(OC)cc1Cl ZINC000472056250 331526149 /nfs/dbraw/zinc/52/61/49/331526149.db2.gz SPLYHRVBHNNVLE-UHFFFAOYSA-N 0 3 253.773 3.795 20 30 CHEDHN CC(C)CCC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000483271769 331866436 /nfs/dbraw/zinc/86/64/36/331866436.db2.gz SKMJDPVXUVMCPU-UHFFFAOYSA-N 0 3 273.424 3.545 20 30 CHEDHN C=CCC[C@H](CC)N[C@@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000488488784 332013440 /nfs/dbraw/zinc/01/34/40/332013440.db2.gz RYQWNVUZROBBNJ-AGIUHOORSA-N 0 3 264.417 3.714 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000489421777 332051228 /nfs/dbraw/zinc/05/12/28/332051228.db2.gz DTMXIEGRTALLHQ-HNNXBMFYSA-N 0 3 299.370 3.760 20 30 CHEDHN C=C(C)CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490015004 332076844 /nfs/dbraw/zinc/07/68/44/332076844.db2.gz RQZFCNFJBXDHKZ-CYBMUJFWSA-N 0 3 276.449 3.777 20 30 CHEDHN C#C[C@@H](NCc1cnc(-c2ccsc2)s1)C(C)C ZINC000491463994 332216643 /nfs/dbraw/zinc/21/66/43/332216643.db2.gz PLTFEGSEOCRGIC-CYBMUJFWSA-N 0 3 276.430 3.619 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000251398736 334361033 /nfs/dbraw/zinc/36/10/33/334361033.db2.gz YNAGZCKBOLIYMW-IXDOHACOSA-N 0 3 256.393 3.995 20 30 CHEDHN CC#CCCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000499207916 332582452 /nfs/dbraw/zinc/58/24/52/332582452.db2.gz AXTGFWHFPSQLFN-UHFFFAOYSA-N 0 3 271.335 3.897 20 30 CHEDHN C=CCCCCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000573020337 334901433 /nfs/dbraw/zinc/90/14/33/334901433.db2.gz HTBHRMRUPAKUBH-AWEZNQCLSA-N 0 3 280.437 3.831 20 30 CHEDHN C=C(C)CNCc1ccc(N(C)c2ccccc2)nc1 ZINC000512350716 332964206 /nfs/dbraw/zinc/96/42/06/332964206.db2.gz UEPXFIKMJQULAK-UHFFFAOYSA-N 0 3 267.376 3.515 20 30 CHEDHN CC(C)CC[C@@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305826405 333000307 /nfs/dbraw/zinc/00/03/07/333000307.db2.gz RDTPRJGKRCTERT-CXAGYDPISA-N 0 3 292.398 3.535 20 30 CHEDHN C=C(C)COCCNC/C(C)=C/c1ccc(Cl)cc1 ZINC000513494515 333022644 /nfs/dbraw/zinc/02/26/44/333022644.db2.gz IHAJXTWUJLKEBP-GXDHUFHOSA-N 0 3 279.811 3.926 20 30 CHEDHN C=CCC[C@@H](NCCc1ccc(O)cc1)c1ccco1 ZINC000513672783 333031337 /nfs/dbraw/zinc/03/13/37/333031337.db2.gz MCHSHNADCOCYHR-MRXNPFEDSA-N 0 3 271.360 3.825 20 30 CHEDHN C=CCOCCN[C@H](C)c1oc2ccccc2c1C ZINC000311989107 333075303 /nfs/dbraw/zinc/07/53/03/333075303.db2.gz VFLKYPDWOFFAJZ-CYBMUJFWSA-N 0 3 259.349 3.594 20 30 CHEDHN C=C(CC)CN[C@H](COC)c1cccc(Cl)c1 ZINC000572520567 333115307 /nfs/dbraw/zinc/11/53/07/333115307.db2.gz KGZRZMQKHLBHIR-CQSZACIVSA-N 0 3 253.773 3.583 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000185322272 333138595 /nfs/dbraw/zinc/13/85/95/333138595.db2.gz IPCGVIHFMSZMGC-OAHLLOKOSA-N 0 3 298.336 3.826 20 30 CHEDHN CCOc1cc(Cl)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185866010 333150598 /nfs/dbraw/zinc/15/05/98/333150598.db2.gz JOVRUYQFTANSRT-SWLSCSKDSA-N 0 3 292.810 3.911 20 30 CHEDHN C=CC1CCN(Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186345879 333158943 /nfs/dbraw/zinc/15/89/43/333158943.db2.gz SCNJGUCIISCTPF-UHFFFAOYSA-N 0 3 287.403 3.730 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000189340572 333190638 /nfs/dbraw/zinc/19/06/38/333190638.db2.gz DOFADRIRZWNRLV-AWEZNQCLSA-N 0 3 250.345 3.751 20 30 CHEDHN C=C(C)[C@@H](NCC[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000190009684 333201626 /nfs/dbraw/zinc/20/16/26/333201626.db2.gz QJBMQINNSIRDAU-XJKSGUPXSA-N 0 3 281.346 3.741 20 30 CHEDHN Cc1ccccc1[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000192147204 333230799 /nfs/dbraw/zinc/23/07/99/333230799.db2.gz QVLKFEYYOGOSRH-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN CN(Cc1ccccc1C#N)[C@@H]1CCc2ccccc2C1 ZINC000522268125 333276990 /nfs/dbraw/zinc/27/69/90/333276990.db2.gz ZSDZHPYKFUSCMK-LJQANCHMSA-N 0 3 276.383 3.548 20 30 CHEDHN C[C@H]1CCC[C@@H](CNCc2ccc(C#N)cc2F)C1 ZINC000227596540 333286474 /nfs/dbraw/zinc/28/64/74/333286474.db2.gz FCVNIJCGHFCUMY-GXTWGEPZSA-N 0 3 260.356 3.613 20 30 CHEDHN CC(C)[C@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000232314260 333335665 /nfs/dbraw/zinc/33/56/65/333335665.db2.gz ZFWPHKPEJPRXMV-KRWDZBQOSA-N 0 3 285.366 3.523 20 30 CHEDHN N#Cc1cccc(CN(CCc2cccc(F)c2)C2CC2)c1 ZINC000523670430 333336575 /nfs/dbraw/zinc/33/65/75/333336575.db2.gz MYXHOPCVODMMAQ-UHFFFAOYSA-N 0 3 294.373 3.904 20 30 CHEDHN CCC1(CC)CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000232893046 333344915 /nfs/dbraw/zinc/34/49/15/333344915.db2.gz POSZJEAUZOIWLF-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN CCC(CC)(CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000524070617 333352922 /nfs/dbraw/zinc/35/29/22/333352922.db2.gz JNVKPCXDOYNCAO-GFCCVEGCSA-N 0 3 292.810 3.674 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000234029217 333357085 /nfs/dbraw/zinc/35/70/85/333357085.db2.gz ORBNKFODGXCUFK-KRWDZBQOSA-N 0 3 280.371 3.808 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000524609048 333368442 /nfs/dbraw/zinc/36/84/42/333368442.db2.gz FNTGQMOHUVKTBI-UHFFFAOYSA-N 0 3 292.379 3.782 20 30 CHEDHN C=CCOc1ccc(CNC[C@H](OC)C(C)C)cc1Cl ZINC000525290232 333407621 /nfs/dbraw/zinc/40/76/21/333407621.db2.gz HDHSNAYZBJBZNI-INIZCTEOSA-N 0 3 297.826 3.665 20 30 CHEDHN C[C@@H](NC[C@H](C)Oc1ccccc1F)c1ccc(C#N)cc1 ZINC000174263396 335151586 /nfs/dbraw/zinc/15/15/86/335151586.db2.gz UPLKTYSPDWNOTA-UONOGXRCSA-N 0 3 298.361 3.815 20 30 CHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccccc1F ZINC000174263411 335151684 /nfs/dbraw/zinc/15/16/84/335151684.db2.gz UPLKTYSPDWNOTA-ZIAGYGMSSA-N 0 3 298.361 3.815 20 30 CHEDHN COc1ccc(CN2CCCC[C@@H]2C(C)C)cc1C#N ZINC000340195443 335152480 /nfs/dbraw/zinc/15/24/80/335152480.db2.gz REINODREJODWSJ-MRXNPFEDSA-N 0 3 272.392 3.577 20 30 CHEDHN C=CCCC[C@@H](C)N1CCN(CCc2cccs2)CC1 ZINC000539238109 333662644 /nfs/dbraw/zinc/66/26/44/333662644.db2.gz BNAXVGJONMWRDZ-MRXNPFEDSA-N 0 3 292.492 3.653 20 30 CHEDHN Cc1cccc(OCCN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000539609096 333680900 /nfs/dbraw/zinc/68/09/00/333680900.db2.gz DRARFIFNFKOBPM-AWEZNQCLSA-N 0 3 298.361 3.735 20 30 CHEDHN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(CC#N)cc1 ZINC000576107204 335155254 /nfs/dbraw/zinc/15/52/54/335155254.db2.gz CVPLOMCZPXLJID-KUHUBIRLSA-N 0 3 276.383 3.776 20 30 CHEDHN CC[C@H](NCC1(C#N)CC1)C(C)(C)c1ccccc1 ZINC000540520254 333733739 /nfs/dbraw/zinc/73/37/39/333733739.db2.gz FADOHVDMOFROHZ-HNNXBMFYSA-N 0 3 256.393 3.636 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000540802783 333747690 /nfs/dbraw/zinc/74/76/90/333747690.db2.gz LBRRSWQSOOPGEY-CABCVRRESA-N 0 3 260.406 3.678 20 30 CHEDHN C[C@H](CNCc1ccc(C#N)cc1)Sc1ccccc1 ZINC000174608229 335160278 /nfs/dbraw/zinc/16/02/78/335160278.db2.gz GSHASHVCFWKKHR-CQSZACIVSA-N 0 3 282.412 3.829 20 30 CHEDHN N#CCc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000542205508 333815557 /nfs/dbraw/zinc/81/55/57/333815557.db2.gz QCSITKGFCOYIIP-UHFFFAOYSA-N 0 3 280.346 3.671 20 30 CHEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000542699454 333837402 /nfs/dbraw/zinc/83/74/02/333837402.db2.gz ICIXJVGKHOCZKG-CYBMUJFWSA-N 0 3 295.342 3.626 20 30 CHEDHN N#CCc1ccc(CN[C@H](c2ccccc2)C2CC2)cc1 ZINC000544118988 333917144 /nfs/dbraw/zinc/91/71/44/333917144.db2.gz LPPREBSFVDHQGW-LJQANCHMSA-N 0 3 276.383 3.994 20 30 CHEDHN C=CCCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000132564766 333984951 /nfs/dbraw/zinc/98/49/51/333984951.db2.gz XNPIDKRDPWFAGA-KRWDZBQOSA-N 0 3 280.371 3.532 20 30 CHEDHN Cc1ccccc1C(NC(=O)C(C)C#N)c1ccccc1C ZINC000546220068 334019957 /nfs/dbraw/zinc/01/99/57/334019957.db2.gz PFWXKXUKAZAFBQ-OAHLLOKOSA-N 0 3 292.382 3.669 20 30 CHEDHN CCN(CC#Cc1cccc(Cl)c1)CCC1CC1 ZINC000546934481 334055387 /nfs/dbraw/zinc/05/53/87/334055387.db2.gz YAMMURLPRXTMFU-UHFFFAOYSA-N 0 3 261.796 3.814 20 30 CHEDHN C=CCSCCNCc1cccn1CCC(C)C ZINC000236636763 334060633 /nfs/dbraw/zinc/06/06/33/334060633.db2.gz PJGMYJGYOHAABU-UHFFFAOYSA-N 0 3 266.454 3.543 20 30 CHEDHN CC(C)[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCS1 ZINC000076063705 334069434 /nfs/dbraw/zinc/06/94/34/334069434.db2.gz AGWBZVYHRXXYQV-XJKSGUPXSA-N 0 3 274.433 3.693 20 30 CHEDHN CCCCC1CCC(NCc2ccc(C#N)o2)CC1 ZINC000236826743 334074420 /nfs/dbraw/zinc/07/44/20/334074420.db2.gz NSBMNFFDTJCTIR-UHFFFAOYSA-N 0 3 260.381 3.990 20 30 CHEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccccc2)cc1F ZINC000547406081 334086103 /nfs/dbraw/zinc/08/61/03/334086103.db2.gz RLNCIALJPVDQFG-KRWDZBQOSA-N 0 3 285.362 3.519 20 30 CHEDHN C=CCN(C)Cc1ccc(OCc2ccccc2)cc1 ZINC000548298303 334149422 /nfs/dbraw/zinc/14/94/22/334149422.db2.gz IRYZIQAPURSRBN-UHFFFAOYSA-N 0 3 267.372 3.883 20 30 CHEDHN C=CCOCCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000549767646 334204224 /nfs/dbraw/zinc/20/42/24/334204224.db2.gz FFOLVJGZWMATCH-UHFFFAOYSA-N 0 3 299.336 3.872 20 30 CHEDHN C=CCOCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000549920011 334208831 /nfs/dbraw/zinc/20/88/31/334208831.db2.gz YVLNHQLSGAXVDU-SFHVURJKSA-N 0 3 284.403 3.898 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)o2)CC[C@H]1c1ccccc1 ZINC000245766263 334218283 /nfs/dbraw/zinc/21/82/83/334218283.db2.gz QWHLRCBTQYTSIO-RDTXWAMCSA-N 0 3 280.371 3.777 20 30 CHEDHN CC(C)(C#N)CCN1CCC=C(c2ccccc2)C1 ZINC000551404817 334249346 /nfs/dbraw/zinc/24/93/46/334249346.db2.gz BAFOXSBAMPRBAX-UHFFFAOYSA-N 0 3 254.377 3.716 20 30 CHEDHN C=CCCCNCc1c(F)cccc1OC(F)(F)F ZINC000551582165 334255086 /nfs/dbraw/zinc/25/50/86/334255086.db2.gz GSJVMNYPHVASBN-UHFFFAOYSA-N 0 3 277.261 3.780 20 30 CHEDHN CC(C)N(CC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000551690684 334257865 /nfs/dbraw/zinc/25/78/65/334257865.db2.gz KSADJIZZZJWHDF-UHFFFAOYSA-N 0 3 299.418 3.540 20 30 CHEDHN C=C(C)CCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551736453 334259670 /nfs/dbraw/zinc/25/96/70/334259670.db2.gz FTZDNFQGFSAODT-GOSISDBHSA-N 0 3 271.404 3.923 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)C(CC)CC)c1ccco1 ZINC000552246381 334307965 /nfs/dbraw/zinc/30/79/65/334307965.db2.gz SDFVVYNEBBVKAB-HUUCEWRRSA-N 0 3 265.397 3.674 20 30 CHEDHN CN(CC(C)(C)C#N)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000552316448 334316259 /nfs/dbraw/zinc/31/62/59/334316259.db2.gz AXHGGJXFADJRSC-WMZOPIPTSA-N 0 3 270.420 3.978 20 30 CHEDHN C=C(C)[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(F)c(F)c1 ZINC000249064707 334326514 /nfs/dbraw/zinc/32/65/14/334326514.db2.gz JZNSEERMMGSJSE-KFNAQCHYSA-N 0 3 281.346 3.739 20 30 CHEDHN N#Cc1cccc(CN2CC[C@H](c3ccc(F)cc3)C2)c1F ZINC000552828639 334346994 /nfs/dbraw/zinc/34/69/94/334346994.db2.gz ZRJIDUJJVDXKOH-HNNXBMFYSA-N 0 3 298.336 3.826 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CCCC2)nc1 ZINC000554360639 334424259 /nfs/dbraw/zinc/42/42/59/334424259.db2.gz UJUVWHQDZPCCJX-LJQANCHMSA-N 0 3 291.398 3.974 20 30 CHEDHN C=CCOc1ccc(CNCC(C)(C)C(F)(F)F)cc1 ZINC000554657833 334444871 /nfs/dbraw/zinc/44/48/71/334444871.db2.gz YYLMDCYMVTYVIJ-UHFFFAOYSA-N 0 3 287.325 3.930 20 30 CHEDHN C[C@@H](NC/C=C\c1ccccc1)c1cccc(C#N)c1 ZINC000254978009 334497370 /nfs/dbraw/zinc/49/73/70/334497370.db2.gz YWNCCHLHWULXPH-IZIDJEDMSA-N 0 3 262.356 3.922 20 30 CHEDHN C=CCCCCCN[C@@H](C)c1nc2ccccc2n1C ZINC000564647362 334514970 /nfs/dbraw/zinc/51/49/70/334514970.db2.gz IMIAHIUYOIUZBT-AWEZNQCLSA-N 0 3 271.408 3.970 20 30 CHEDHN COc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CCC2 ZINC000267127183 334695031 /nfs/dbraw/zinc/69/50/31/334695031.db2.gz VDPONBWTXNZOQM-IBGZPJMESA-N 0 3 292.382 3.734 20 30 CHEDHN C[C@H](N[C@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000271426777 334743688 /nfs/dbraw/zinc/74/36/88/334743688.db2.gz CVEFAZHLJSDQMO-LIRRHRJNSA-N 0 3 292.382 3.927 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@@H](COC)c1ccco1 ZINC000156729535 334748640 /nfs/dbraw/zinc/74/86/40/334748640.db2.gz HNOLYXTYFMIGIW-KGLIPLIRSA-N 0 3 251.370 3.692 20 30 CHEDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CCC#N)CC1 ZINC000567791388 334761317 /nfs/dbraw/zinc/76/13/17/334761317.db2.gz PNUUIHGAGKLUEH-ZDUSSCGKSA-N 0 3 287.363 3.672 20 30 CHEDHN C[C@H](NCCCC#N)c1cc(Cl)cc(Cl)c1 ZINC000273171220 334762426 /nfs/dbraw/zinc/76/24/26/334762426.db2.gz BXFSWNJAXXRUGQ-VIFPVBQESA-N 0 3 257.164 3.948 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1 ZINC000567989143 334781844 /nfs/dbraw/zinc/78/18/44/334781844.db2.gz ZHCLOZCTXNBAIN-JQFCIGGWSA-N 0 3 295.373 3.723 20 30 CHEDHN C=CCC(C)(C)CN[C@@H](C)c1cn2ccccc2n1 ZINC000568238197 334807217 /nfs/dbraw/zinc/80/72/17/334807217.db2.gz PDERZACMPGLKIU-ZDUSSCGKSA-N 0 3 257.381 3.587 20 30 CHEDHN N#CCc1ccc(CN(Cc2ccccc2)C2CC2)cc1 ZINC000342766537 335186709 /nfs/dbraw/zinc/18/67/09/335186709.db2.gz VWDPMNOHLTUKKD-UHFFFAOYSA-N 0 3 276.383 3.917 20 30 CHEDHN N#CC(C(=O)c1cccc2ccsc21)c1ccccn1 ZINC000343909731 335226539 /nfs/dbraw/zinc/22/65/39/335226539.db2.gz AUSDPMJTXRULDM-CYBMUJFWSA-N 0 3 278.336 3.786 20 30 CHEDHN COc1ccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000576674937 335233365 /nfs/dbraw/zinc/23/33/65/335233365.db2.gz ZODOHERLIHWERS-ORAYPTAESA-N 0 3 292.382 3.905 20 30 CHEDHN Cc1ccc2nc([C@H]3CCCN3CCCCC#N)[nH]c2c1 ZINC000576983012 335273399 /nfs/dbraw/zinc/27/33/99/335273399.db2.gz GECYLGDZUSAMIV-MRXNPFEDSA-N 0 3 282.391 3.702 20 30 CHEDHN C[C@H](C#N)CNCCCCc1cccc(C(F)(F)F)c1 ZINC000192719668 335297219 /nfs/dbraw/zinc/29/72/19/335297219.db2.gz MVFVGMLIOGAUFW-GFCCVEGCSA-N 0 3 284.325 3.777 20 30 CHEDHN C[C@@H](NCC1(C#N)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000577458181 335354238 /nfs/dbraw/zinc/35/42/38/335354238.db2.gz WBSQJELFTFVCSI-VXGBXAGGSA-N 0 3 262.784 3.725 20 30 CHEDHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1ccc(C#N)cn1 ZINC000577506484 335361645 /nfs/dbraw/zinc/36/16/45/335361645.db2.gz XROZJLRTOQMXDP-DZGCQCFKSA-N 0 3 271.408 3.600 20 30 CHEDHN CC#CCN(Cc1ccc(Br)cc1)C(C)C ZINC000577551383 335367720 /nfs/dbraw/zinc/36/77/20/335367720.db2.gz PAMMHICPEPJCCU-UHFFFAOYSA-N 0 3 280.209 3.683 20 30 CHEDHN CC(C)Oc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000577609830 335377526 /nfs/dbraw/zinc/37/75/26/335377526.db2.gz PDRKLUCEVRNRIC-UHFFFAOYSA-N 0 3 294.398 3.830 20 30 CHEDHN CC[C@H](CN(CC)Cc1ccc(C#N)cn1)c1ccccc1 ZINC000577646656 335385610 /nfs/dbraw/zinc/38/56/10/335385610.db2.gz RWIRCEXQJUSJPT-QGZVFWFLSA-N 0 3 293.414 3.969 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](CC)c1ccccc1OC(F)F ZINC000179721914 335511377 /nfs/dbraw/zinc/51/13/77/335511377.db2.gz PXXJPBCBAJHOSS-OCCSQVGLSA-N 0 3 299.361 3.656 20 30 CHEDHN C=CCCCNCc1nc(C(C)C)n2ccccc12 ZINC000578241448 335591222 /nfs/dbraw/zinc/59/12/22/335591222.db2.gz HAMXKVZGVCXZRT-UHFFFAOYSA-N 0 3 257.381 3.514 20 30 CHEDHN C=CCCCCNC(C)(C)c1nc(C)c(C)s1 ZINC000578484518 335639855 /nfs/dbraw/zinc/63/98/55/335639855.db2.gz ZTXSKHBMLLQAIL-UHFFFAOYSA-N 0 3 252.427 3.941 20 30 CHEDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1Cl ZINC000384292796 336123251 /nfs/dbraw/zinc/12/32/51/336123251.db2.gz XVQGFNMWHIBERN-ABAIWWIYSA-N 0 3 262.784 3.832 20 30 CHEDHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1Cl ZINC000384292802 336123438 /nfs/dbraw/zinc/12/34/38/336123438.db2.gz XVQGFNMWHIBERN-NHYWBVRUSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000335954150 534003082 /nfs/dbraw/zinc/00/30/82/534003082.db2.gz UWOONCYMQAYPSI-UGSOOPFHSA-N 0 3 277.371 3.681 20 30 CHEDHN C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000332234115 534054791 /nfs/dbraw/zinc/05/47/91/534054791.db2.gz QEWSCCUGCUZPGN-DVOMOZLQSA-N 0 3 285.391 3.503 20 30 CHEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCCCC#N ZINC000354842459 534058069 /nfs/dbraw/zinc/05/80/69/534058069.db2.gz WJKFUIFCQRHMGK-CHWSQXEVSA-N 0 3 260.356 3.827 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@]2(CCCOC2)C1 ZINC000336540208 534080826 /nfs/dbraw/zinc/08/08/26/534080826.db2.gz IYESFXJMBLICCI-YJBOKZPZSA-N 0 3 284.403 3.512 20 30 CHEDHN C=C(CC)CNCc1ccc(OC)c(OCCC)c1 ZINC000449730024 517318397 /nfs/dbraw/zinc/31/83/97/517318397.db2.gz CJFPAYSONASYCB-UHFFFAOYSA-N 0 3 263.381 3.540 20 30 CHEDHN CC(C#N)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 ZINC000354761413 534282063 /nfs/dbraw/zinc/28/20/63/534282063.db2.gz MISQJFGBARZSFB-ZIAGYGMSSA-N 0 3 270.376 3.536 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)CC2 ZINC000336146395 534451543 /nfs/dbraw/zinc/45/15/43/534451543.db2.gz VLCMRNFHVRZHSN-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN COc1cc(CN[C@H](C)c2ccc(C)cc2)ccc1C#N ZINC000234949859 522483455 /nfs/dbraw/zinc/48/34/55/522483455.db2.gz QQOMQNJJMRKUBM-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN CC[C@H](NCc1sc(C)nc1C)c1ccc(C#N)cc1 ZINC000278889755 522673649 /nfs/dbraw/zinc/67/36/49/522673649.db2.gz YLCSXOGJFVHCLP-HNNXBMFYSA-N 0 3 285.416 3.873 20 30 CHEDHN CC[C@H](N[C@H](C)c1cccnc1)c1ccc(C#N)cc1 ZINC000278256007 522740730 /nfs/dbraw/zinc/74/07/30/522740730.db2.gz NDILOBFCWAQVTH-DYVFJYSZSA-N 0 3 265.360 3.755 20 30 CHEDHN CC[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(C#N)cc1 ZINC000278358931 522760385 /nfs/dbraw/zinc/76/03/85/522760385.db2.gz BHNHSVPQDCCLRH-ROUUACIJSA-N 0 3 292.382 3.992 20 30 CHEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(C#N)c(C)c1 ZINC000334583013 534841155 /nfs/dbraw/zinc/84/11/55/534841155.db2.gz PLHSQSDAVACMOC-KRWDZBQOSA-N 0 3 294.402 3.544 20 30 CHEDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000036991947 525361975 /nfs/dbraw/zinc/36/19/75/525361975.db2.gz QABSILZTXCHSQM-ZIAGYGMSSA-N 0 3 280.371 3.984 20 30 CHEDHN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(C#N)cc1 ZINC000036991933 525582346 /nfs/dbraw/zinc/58/23/46/525582346.db2.gz PHPCDGNTBYTMBA-YVEFUNNKSA-N 0 3 278.355 3.602 20 30 CHEDHN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(C#N)cc1 ZINC000036991935 525630833 /nfs/dbraw/zinc/63/08/33/525630833.db2.gz PHPCDGNTBYTMBA-SJCJKPOMSA-N 0 3 278.355 3.602 20 30 CHEDHN N#Cc1ccc(CN2CCC(Nc3ccccc3)CC2)cc1 ZINC000237841492 526610158 /nfs/dbraw/zinc/61/01/58/526610158.db2.gz YWNMVCQFKRVITL-UHFFFAOYSA-N 0 3 291.398 3.635 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000280420896 526626879 /nfs/dbraw/zinc/62/68/79/526626879.db2.gz ZCRDTORBXGCVPE-HIFRSBDPSA-N 0 3 284.334 3.716 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)s1 ZINC000280708297 526627780 /nfs/dbraw/zinc/62/77/80/526627780.db2.gz TXYIIURFKWWIES-HAQNSBGRSA-N 0 3 286.375 3.795 20 30 CHEDHN C=CCOCCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000347967527 526754370 /nfs/dbraw/zinc/75/43/70/526754370.db2.gz OYJMCWWHGMSYDI-MRXNPFEDSA-N 0 3 263.356 3.555 20 30 CHEDHN C=C(CC)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352818536 526859544 /nfs/dbraw/zinc/85/95/44/526859544.db2.gz UQVQGIDUPHSFDG-CQSZACIVSA-N 0 3 288.218 3.973 20 30 CHEDHN C=C1CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000353332161 526904012 /nfs/dbraw/zinc/90/40/12/526904012.db2.gz XUQWUVHKXKCIEI-UHFFFAOYSA-N 0 3 264.372 3.901 20 30 CHEDHN C=CC[C@@H]1N(Cc2cnccc2OC)CCCC1(C)C ZINC000347127230 527118661 /nfs/dbraw/zinc/11/86/61/527118661.db2.gz UOELUQOJDMHUNA-INIZCTEOSA-N 0 3 274.408 3.657 20 30 CHEDHN C=CCCCN(C)Cc1cc2c(cc1SC)OCCO2 ZINC000353737304 527191400 /nfs/dbraw/zinc/19/14/00/527191400.db2.gz IGZVPDZQBRATIM-UHFFFAOYSA-N 0 3 293.432 3.578 20 30 CHEDHN C=CCCC[C@H](C)N[C@@H](CCOC)c1ccco1 ZINC000347998288 527296555 /nfs/dbraw/zinc/29/65/55/527296555.db2.gz FZOQTAUOWVGOIR-KBPBESRZSA-N 0 3 251.370 3.692 20 30 CHEDHN C=CCC[C@@H](NC[C@H]1CCCS1)c1ccco1 ZINC000353395647 527450274 /nfs/dbraw/zinc/45/02/74/527450274.db2.gz QMIRRUGXASJVRC-CHWSQXEVSA-N 0 3 251.395 3.772 20 30 CHEDHN CC1(C)C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2cc(N)ccc2O1 ZINC000332205687 527747226 /nfs/dbraw/zinc/74/72/26/527747226.db2.gz HCWBROHVPAEZGA-XPKDYRNWSA-N 0 3 299.418 3.543 20 30 CHEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccccn1 ZINC000350720883 527944535 /nfs/dbraw/zinc/94/45/35/527944535.db2.gz QPULNCUJBPUNMX-UHFFFAOYSA-N 0 3 279.387 3.611 20 30 CHEDHN CC1(C#N)CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000334980769 528841598 /nfs/dbraw/zinc/84/15/98/528841598.db2.gz BWOLCEMWMDSACD-UHFFFAOYSA-N 0 3 254.377 3.690 20 30 CHEDHN CCC[C@@H](NCc1ccc(C#N)c(OC)c1)c1cccnc1 ZINC000353625208 529012870 /nfs/dbraw/zinc/01/28/70/529012870.db2.gz RUSQIZPEWPKERJ-QGZVFWFLSA-N 0 3 295.386 3.593 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894416 946504020 /nfs/dbraw/zinc/50/40/20/946504020.db2.gz PNWREMRLFRFFER-KGLIPLIRSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894416 946504027 /nfs/dbraw/zinc/50/40/27/946504027.db2.gz PNWREMRLFRFFER-KGLIPLIRSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCCCCN1CCc2c(O)cccc2C1 ZINC001209430682 1118052188 /nfs/dbraw/zinc/05/21/88/1118052188.db2.gz BBKNSNKMQMCJRP-UHFFFAOYSA-N 0 3 259.393 3.887 20 30 CHEDHN C[C@@H]1CC[C@H](C)CN1CC#Cc1cccc(Cl)c1 ZINC001167483265 1118696832 /nfs/dbraw/zinc/69/68/32/1118696832.db2.gz VHSVABWROUAAES-UONOGXRCSA-N 0 3 261.796 3.812 20 30 CHEDHN FCC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000661691829 1120788165 /nfs/dbraw/zinc/78/81/65/1120788165.db2.gz BLHUQFJQSKYAHT-OAHLLOKOSA-N 0 3 279.786 3.763 20 30 CHEDHN C=C[C@@H](COC)N[C@@H](C)c1cc(Br)ccc1C ZINC001118805807 1121684673 /nfs/dbraw/zinc/68/46/73/1121684673.db2.gz IJGCOFALANKVOY-AAEUAGOBSA-N 0 3 298.224 3.609 20 30 CHEDHN C=C(C)CCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000775601509 1122748037 /nfs/dbraw/zinc/74/80/37/1122748037.db2.gz CRDFTYFOLOOWCU-BFYDXBDKSA-N 0 3 259.393 3.803 20 30 CHEDHN CCN(CCCCCOc1ccccc1)C[C@@H](C)C#N ZINC000189743501 1123143191 /nfs/dbraw/zinc/14/31/91/1123143191.db2.gz IBVQCEHWSSGBKW-INIZCTEOSA-N 0 3 274.408 3.717 20 30 CHEDHN C=C(C)CN1CC=C(c2ccc(OCC)cc2)CC1 ZINC000509477083 1123489089 /nfs/dbraw/zinc/48/90/89/1123489089.db2.gz DESLKMDHPVNUDC-UHFFFAOYSA-N 0 3 257.377 3.751 20 30 CHEDHN CC[C@H](NCCCC#N)c1cc(Cl)ccc1OC ZINC000346801649 1123714221 /nfs/dbraw/zinc/71/42/21/1123714221.db2.gz BTAUKSURCDOLQR-ZDUSSCGKSA-N 0 3 266.772 3.693 20 30 CHEDHN CC(C)[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000444772188 1124063328 /nfs/dbraw/zinc/06/33/28/1124063328.db2.gz MLJRZXNNRBMNGP-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)NCc1cccc(C#N)c1F ZINC000445878130 1124105063 /nfs/dbraw/zinc/10/50/63/1124105063.db2.gz FDRQCKJKXKHAFS-LBPRGKRZSA-N 0 3 288.288 3.764 20 30 CHEDHN C=CCC1(NCc2coc(C3CC3)n2)CCCCC1 ZINC000825024634 1131494757 /nfs/dbraw/zinc/49/47/57/1131494757.db2.gz SEAWOFCESXBULX-UHFFFAOYSA-N 0 3 260.381 3.921 20 30 CHEDHN C[C@@H]1CCCCN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140599718 1131818839 /nfs/dbraw/zinc/81/88/39/1131818839.db2.gz NZDOVGAEIQFNAW-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCCCCCCCCCN1CCN(CCF)CC1 ZINC001207899341 1133858171 /nfs/dbraw/zinc/85/81/71/1133858171.db2.gz VZCRTESWFKRDFN-UHFFFAOYSA-N 0 3 284.463 3.880 20 30 CHEDHN C=CCCCCCCCCN1C[C@@H](F)C[C@H](CO)C1 ZINC001209443183 1134022012 /nfs/dbraw/zinc/02/20/12/1134022012.db2.gz NZCKSJJSNUXWDZ-HOTGVXAUSA-N 0 3 271.420 3.555 20 30 CHEDHN C=CC[C@H](C)NCc1nc(-c2ccccc2)cs1 ZINC000116926763 1125514365 /nfs/dbraw/zinc/51/43/65/1125514365.db2.gz RRPOUSXRQJEBNW-LBPRGKRZSA-N 0 3 258.390 3.864 20 30 CHEDHN CCN(CCC(C)(C)C#N)[C@H](C)c1cccc(O)c1 ZINC000119672261 1125536777 /nfs/dbraw/zinc/53/67/77/1125536777.db2.gz QKDLJZRDWYRBJR-CYBMUJFWSA-N 0 3 260.381 3.715 20 30 CHEDHN CCCCCCCCNCc1cn(-c2ccccc2)nn1 ZINC000729677569 1125541435 /nfs/dbraw/zinc/54/14/35/1125541435.db2.gz VLROMHXOCNGURM-UHFFFAOYSA-N 0 3 286.423 3.717 20 30 CHEDHN C=C(C)CCN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000509679426 1125574486 /nfs/dbraw/zinc/57/44/86/1125574486.db2.gz HSWBVLFARCPUGV-NVXWUHKLSA-N 0 3 259.393 3.723 20 30 CHEDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(C#N)cc1 ZINC000295771407 1125626560 /nfs/dbraw/zinc/62/65/60/1125626560.db2.gz AGXOLZNSWYLPTQ-BLLLJJGKSA-N 0 3 278.355 3.602 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCOc3c(F)cccc32)C1 ZINC000248876688 1125675895 /nfs/dbraw/zinc/67/58/95/1125675895.db2.gz RCRSTSIKEGTWNP-WWGRRREGSA-N 0 3 288.366 3.711 20 30 CHEDHN C=CCC1(O)CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000886778809 1125717499 /nfs/dbraw/zinc/71/74/99/1125717499.db2.gz VUJHQXGEOFAPNA-UHFFFAOYSA-N 0 3 281.346 3.527 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@@H]1CCc2c1cccc2F ZINC000886927526 1125726043 /nfs/dbraw/zinc/72/60/43/1125726043.db2.gz KFZKPSRTSOEYBE-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN CSc1cc(C)cc(CN2CCC[C@H](C#N)CC2)c1 ZINC001238685932 1131232988 /nfs/dbraw/zinc/23/29/88/1131232988.db2.gz RBWYJQHRBSVWLJ-AWEZNQCLSA-N 0 3 274.433 3.843 20 30 CHEDHN CC(C)[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000303695999 1129552634 /nfs/dbraw/zinc/55/26/34/1129552634.db2.gz QSEZTHJOODFQKW-INIZCTEOSA-N 0 3 260.356 3.708 20 30 CHEDHN CCOc1ccc(C)c(CN2CCC[C@@H](CC#N)C2)c1 ZINC001238708448 1131235413 /nfs/dbraw/zinc/23/54/13/1131235413.db2.gz NZHZBOGYFIHHPS-HNNXBMFYSA-N 0 3 272.392 3.519 20 30 CHEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2ncc(C)s2)C1 ZINC000651729600 1129745439 /nfs/dbraw/zinc/74/54/39/1129745439.db2.gz LJPUUOVQWLTAAW-XQQFMLRXSA-N 0 3 250.411 3.847 20 30 CHEDHN Cc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000037719111 1129205413 /nfs/dbraw/zinc/20/54/13/1129205413.db2.gz YZMBPZKIHHWISN-CQSZACIVSA-N 0 3 250.345 3.718 20 30 CHEDHN CC#CCCNCc1ccccc1OC1CCCC1 ZINC000482162447 1126744096 /nfs/dbraw/zinc/74/40/96/1126744096.db2.gz HIJSMVHITQYFNQ-UHFFFAOYSA-N 0 3 257.377 3.511 20 30 CHEDHN CCc1nc2c(s1)[C@H](NCc1cccc(C#N)c1)CCC2 ZINC000151382646 1126753070 /nfs/dbraw/zinc/75/30/70/1126753070.db2.gz CRLWOQUSKGTCOW-CQSZACIVSA-N 0 3 297.427 3.744 20 30 CHEDHN CC(C)(CCC#N)CNCc1cc(-c2ccccc2)on1 ZINC000174333418 1126769367 /nfs/dbraw/zinc/76/93/67/1126769367.db2.gz OCODUCSLADMAAC-UHFFFAOYSA-N 0 3 283.375 3.761 20 30 CHEDHN C=CCN(Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000483305125 1126779554 /nfs/dbraw/zinc/77/95/54/1126779554.db2.gz DVWGHTRSAYNBCW-UHFFFAOYSA-N 0 3 257.377 3.626 20 30 CHEDHN COC1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCCC1 ZINC000483262996 1126776537 /nfs/dbraw/zinc/77/65/37/1126776537.db2.gz BUYCCBRBFIVIGU-ZWKOTPCHSA-N 0 3 298.430 3.717 20 30 CHEDHN Cc1ccccc1[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000483602703 1126794306 /nfs/dbraw/zinc/79/43/06/1126794306.db2.gz DCICSWGZFHLFNL-LJQANCHMSA-N 0 3 275.395 3.836 20 30 CHEDHN C=CCN(Cc1cc(C(=O)OC)co1)CC1CCCCC1 ZINC000484571135 1126828663 /nfs/dbraw/zinc/82/86/63/1126828663.db2.gz NIOOSRFRYPKZLW-UHFFFAOYSA-N 0 3 291.391 3.635 20 30 CHEDHN C=C[C@H](CCC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234245114 1130622907 /nfs/dbraw/zinc/62/29/07/1130622907.db2.gz UHSSDCGPOMLEBK-CYBMUJFWSA-N 0 3 281.371 3.629 20 30 CHEDHN CCOc1cccc([C@@H](C)NCc2ccc(F)c(C#N)c2)c1 ZINC000180678652 1126847529 /nfs/dbraw/zinc/84/75/29/1126847529.db2.gz ITHITEQJVOPMAV-CYBMUJFWSA-N 0 3 298.361 3.947 20 30 CHEDHN CC1/C(=C\c2cccc(C3CCCC3)c2)C(=O)c2ncnn21 ZINC000905085062 1126889536 /nfs/dbraw/zinc/88/95/36/1126889536.db2.gz LUAZWEVTOZYFDC-SEJMYLSOSA-N 0 3 293.370 3.777 20 30 CHEDHN C#CCCOc1ccc(CN(C)[C@H](C)c2ccncc2)cc1 ZINC000183705453 1126890380 /nfs/dbraw/zinc/89/03/80/1126890380.db2.gz ZYGLFPKKSXWENA-MRXNPFEDSA-N 0 3 294.398 3.677 20 30 CHEDHN CC(CN1CCCCCC1)=NOCc1ccc(F)cc1 ZINC000777446429 1126927328 /nfs/dbraw/zinc/92/73/28/1126927328.db2.gz LVJFMGUPWMQIMD-UHFFFAOYSA-N 0 3 278.371 3.594 20 30 CHEDHN C=CCCc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906176034 1126933935 /nfs/dbraw/zinc/93/39/35/1126933935.db2.gz XRFXXYMCGHQZNN-KRWDZBQOSA-N 0 3 279.387 3.687 20 30 CHEDHN C#C[C@H](NCc1ccc(Br)s1)C(C)(C)C ZINC000380105327 1126944513 /nfs/dbraw/zinc/94/45/13/1126944513.db2.gz MYKWXXRUUNHTOA-JTQLQIEISA-N 0 3 286.238 3.648 20 30 CHEDHN C[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191225257 1126950081 /nfs/dbraw/zinc/95/00/81/1126950081.db2.gz PFSLSXUPPPZVAU-LBPRGKRZSA-N 0 3 287.794 3.743 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000266860652 1126989058 /nfs/dbraw/zinc/98/90/58/1126989058.db2.gz JOAFBUBAYNGTIA-DNVCBOLYSA-N 0 3 292.382 3.782 20 30 CHEDHN Cc1cc(CN(C)CCOc2ccc(F)cc2)ccc1C#N ZINC000486802290 1127004651 /nfs/dbraw/zinc/00/46/51/1127004651.db2.gz NRMBGMIKWYUSEQ-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC001320427928 1127067087 /nfs/dbraw/zinc/06/70/87/1127067087.db2.gz NRAJDFGUYQCMOT-ZBFHGGJFSA-N 0 3 277.408 3.573 20 30 CHEDHN C=CCOc1ccc(CN(CC)Cc2ccncc2)cc1 ZINC000348920448 1127134543 /nfs/dbraw/zinc/13/45/43/1127134543.db2.gz KBPWOESTQHWAKQ-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cscn1 ZINC000571741952 1127166797 /nfs/dbraw/zinc/16/67/97/1127166797.db2.gz KZCCFPNHXVOLAZ-ZFWWWQNUSA-N 0 3 272.417 3.981 20 30 CHEDHN C[C@H](CC1CCOCC1)CN(CCC#N)CC(C)(C)C ZINC000349964647 1127169253 /nfs/dbraw/zinc/16/92/53/1127169253.db2.gz JYBAVYZCWRQXAG-OAHLLOKOSA-N 0 3 280.456 3.701 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@@H]2c2ccccc2)CCCC1 ZINC000589166596 1127213506 /nfs/dbraw/zinc/21/35/06/1127213506.db2.gz GROVQARIILWQNJ-IAGOWNOFSA-N 0 3 268.404 3.996 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(C#N)c1 ZINC000589340422 1127218064 /nfs/dbraw/zinc/21/80/64/1127218064.db2.gz DSPZOLXBAFDMAP-BFUOFWGJSA-N 0 3 287.366 3.768 20 30 CHEDHN C=CCC[C@@H](CC)N[C@@H](C)c1c(F)cncc1F ZINC000285726943 1127241308 /nfs/dbraw/zinc/24/13/08/1127241308.db2.gz QPGVCSXOJJGMLA-WDEREUQCSA-N 0 3 254.324 3.755 20 30 CHEDHN CC(C)N(Cc1ccnc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000589999772 1127242575 /nfs/dbraw/zinc/24/25/75/1127242575.db2.gz BKUAXWBKINUYHR-HNNXBMFYSA-N 0 3 279.387 3.925 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285738355 1127242653 /nfs/dbraw/zinc/24/26/53/1127242653.db2.gz RGECNRMPJLZKPW-AXFHLTTASA-N 0 3 254.324 3.611 20 30 CHEDHN CCc1nn(C)cc1CN[C@H](CCCC#N)c1ccccc1 ZINC000590069301 1127247933 /nfs/dbraw/zinc/24/79/33/1127247933.db2.gz RDVZLHHRAJLYPZ-GOSISDBHSA-N 0 3 296.418 3.507 20 30 CHEDHN Cc1sccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000590188341 1127250905 /nfs/dbraw/zinc/25/09/05/1127250905.db2.gz VGUDLUUQCHLLRC-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN Cc1ncsc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353913177 1127277867 /nfs/dbraw/zinc/27/78/67/1127277867.db2.gz HKHOWLFHBJQYAF-HNNXBMFYSA-N 0 3 285.416 3.976 20 30 CHEDHN Cc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353917939 1127278794 /nfs/dbraw/zinc/27/87/94/1127278794.db2.gz WDVQIQJQVPIWRZ-SFHVURJKSA-N 0 3 279.387 3.915 20 30 CHEDHN CCc1nc(C)c([C@H](C)NCc2ccc(CC#N)cc2)s1 ZINC000573323441 1127306986 /nfs/dbraw/zinc/30/69/86/1127306986.db2.gz IIAINCKYVQAFNI-LBPRGKRZSA-N 0 3 299.443 3.931 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2c(Cl)ccc3cccnc32)C1 ZINC000591639772 1127312595 /nfs/dbraw/zinc/31/25/95/1127312595.db2.gz MGORLAIXSVESQT-WCQYABFASA-N 0 3 285.778 3.670 20 30 CHEDHN N#CC[C@]1(O)CCN(Cc2ccc(C3CCCCC3)cc2)C1 ZINC000592151387 1127338348 /nfs/dbraw/zinc/33/83/48/1127338348.db2.gz OAVMXIPLXKSGHZ-IBGZPJMESA-N 0 3 298.430 3.585 20 30 CHEDHN N#Cc1ccc(CNC2(c3cccc(F)c3)CCC2)cc1 ZINC000592144719 1127338804 /nfs/dbraw/zinc/33/88/04/1127338804.db2.gz KNKIOGCNXNIUMG-UHFFFAOYSA-N 0 3 280.346 3.866 20 30 CHEDHN C=CCC[C@@H](N[C@@H]1C[C@@H](OCC)[C@H]1SC)c1ccco1 ZINC000592395111 1127345255 /nfs/dbraw/zinc/34/52/55/1127345255.db2.gz OYPGGRNWXHCYPE-XOUADPBQSA-N 0 3 295.448 3.786 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NC2(c3ccccc3F)CCC2)C1 ZINC000592398614 1127345321 /nfs/dbraw/zinc/34/53/21/1127345321.db2.gz ZEANBVQGHJTGGS-UONOGXRCSA-N 0 3 272.367 3.877 20 30 CHEDHN N#CCCC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000592517294 1127352685 /nfs/dbraw/zinc/35/26/85/1127352685.db2.gz XUXOHGFUBFOVHF-UHFFFAOYSA-N 0 3 294.402 3.592 20 30 CHEDHN C#CC[C@H](NCc1cc(C)c(O)c(C)c1)c1ccccc1 ZINC000290360961 1127390279 /nfs/dbraw/zinc/39/02/79/1127390279.db2.gz MSBLQPJKQJMUHU-SFHVURJKSA-N 0 3 279.383 3.863 20 30 CHEDHN N#CC1(CNCCSCc2ccccc2)CCCC1 ZINC000593655142 1127393114 /nfs/dbraw/zinc/39/31/14/1127393114.db2.gz YXUIEJXPUWPYLU-UHFFFAOYSA-N 0 3 274.433 3.593 20 30 CHEDHN N#CC1(CNC2CC(c3cccc(F)c3)C2)CCCC1 ZINC000593653294 1127393326 /nfs/dbraw/zinc/39/33/26/1127393326.db2.gz HVBJVHITYZWEPP-UHFFFAOYSA-N 0 3 272.367 3.745 20 30 CHEDHN N#CC1(CN[C@@H]2CCc3cccc(Cl)c3C2)CCCC1 ZINC000593653709 1127393459 /nfs/dbraw/zinc/39/34/59/1127393459.db2.gz IJPYHWKVMKKNJN-CQSZACIVSA-N 0 3 288.822 3.871 20 30 CHEDHN CC1(C)C[C@H](N[C@H]2CC[C@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593674551 1127395180 /nfs/dbraw/zinc/39/51/80/1127395180.db2.gz XHYYDLCILAXTIA-WHOFXGATSA-N 0 3 288.366 3.710 20 30 CHEDHN C=CCSCCN[C@@H](CC)c1cc(F)ccc1F ZINC000358027472 1127396996 /nfs/dbraw/zinc/39/69/96/1127396996.db2.gz RQFDYOLEHGTWBL-AWEZNQCLSA-N 0 3 271.376 3.925 20 30 CHEDHN C=C(C)COCCN[C@H](CC)c1cc(Cl)ccc1OC ZINC000358295226 1127413431 /nfs/dbraw/zinc/41/34/31/1127413431.db2.gz ZPHJILBIHPSQAC-OAHLLOKOSA-N 0 3 297.826 3.982 20 30 CHEDHN COc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594493459 1127418122 /nfs/dbraw/zinc/41/81/22/1127418122.db2.gz PKHQIPHEHMZPNG-UHFFFAOYSA-N 0 3 294.398 3.786 20 30 CHEDHN CC[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1F ZINC000594508787 1127419574 /nfs/dbraw/zinc/41/95/74/1127419574.db2.gz WGFQOKCYORUVSG-DVOMOZLQSA-N 0 3 260.356 3.949 20 30 CHEDHN CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC000594511334 1127420260 /nfs/dbraw/zinc/42/02/60/1127420260.db2.gz GLCRPXCLXQCJNB-UHFFFAOYSA-N 0 3 298.361 3.622 20 30 CHEDHN CC(C)(C#N)c1ccc(CNCc2ccc(O)c(F)c2)cc1 ZINC000594511334 1127420261 /nfs/dbraw/zinc/42/02/61/1127420261.db2.gz GLCRPXCLXQCJNB-UHFFFAOYSA-N 0 3 298.361 3.622 20 30 CHEDHN C=C(CC)CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000358499458 1127424216 /nfs/dbraw/zinc/42/42/16/1127424216.db2.gz OJUMFIKMHVCWJP-OAHLLOKOSA-N 0 3 273.376 3.561 20 30 CHEDHN C=C(CC)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000358622080 1127429540 /nfs/dbraw/zinc/42/95/40/1127429540.db2.gz DTBLXJGAPMAVBI-CQSZACIVSA-N 0 3 265.422 3.695 20 30 CHEDHN COCc1cccc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594969307 1127437571 /nfs/dbraw/zinc/43/75/71/1127437571.db2.gz OXNVFZKLDCXYLR-UHFFFAOYSA-N 0 3 294.398 3.730 20 30 CHEDHN COc1cc(F)cc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594970602 1127437655 /nfs/dbraw/zinc/43/76/55/1127437655.db2.gz ZOWSTWNBOURAFY-UHFFFAOYSA-N 0 3 298.361 3.731 20 30 CHEDHN CCCn1nccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000594943026 1127438839 /nfs/dbraw/zinc/43/88/39/1127438839.db2.gz GHQJTWBKSRHYME-SFHVURJKSA-N 0 3 296.418 3.818 20 30 CHEDHN COc1cccc(C2(NCc3cccc(C#N)c3)CCC2)c1 ZINC000594996523 1127444340 /nfs/dbraw/zinc/44/43/40/1127444340.db2.gz DCMIPOLPPQCUOS-UHFFFAOYSA-N 0 3 292.382 3.736 20 30 CHEDHN Cc1nc([C@H](C)NCCc2ccc(C#N)cc2)c(C)s1 ZINC000595055896 1127446487 /nfs/dbraw/zinc/44/64/87/1127446487.db2.gz MCPZWLXJVUZBBP-NSHDSACASA-N 0 3 285.416 3.525 20 30 CHEDHN CC[C@H](COCC1CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000595056849 1127446788 /nfs/dbraw/zinc/44/67/88/1127446788.db2.gz RKLJZFMSDOBQHY-SWLSCSKDSA-N 0 3 290.382 3.553 20 30 CHEDHN COc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1C ZINC000595106339 1127452985 /nfs/dbraw/zinc/45/29/85/1127452985.db2.gz SMJAULOJQMSUMV-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN Cc1ccc2oc(CN[C@H]3CCC[C@H](C#N)C3)cc2c1 ZINC000595085247 1127453456 /nfs/dbraw/zinc/45/34/56/1127453456.db2.gz JQNIPVKWCRBBGB-ZFWWWQNUSA-N 0 3 268.360 3.913 20 30 CHEDHN C[C@@H](Cc1ccccc1F)NCC1(C#N)CCCCC1 ZINC000595090179 1127454198 /nfs/dbraw/zinc/45/41/98/1127454198.db2.gz DYIPRPQRIGCSAT-AWEZNQCLSA-N 0 3 274.383 3.820 20 30 CHEDHN N#CC1(CN[C@H]2Cc3ccc(Cl)cc3C2)CCCCC1 ZINC000595092098 1127454882 /nfs/dbraw/zinc/45/48/82/1127454882.db2.gz WRTJYXVIDBVANO-INIZCTEOSA-N 0 3 288.822 3.871 20 30 CHEDHN CCCCCCC[C@H](C)N[C@H](C)c1nnc2n1CCC2 ZINC000059487399 1127456400 /nfs/dbraw/zinc/45/64/00/1127456400.db2.gz DUMSUHRZROQMER-UONOGXRCSA-N 0 3 278.444 3.624 20 30 CHEDHN N#Cc1ccc(CN2CCC(c3ccco3)CC2)cc1 ZINC000595616283 1127467516 /nfs/dbraw/zinc/46/75/16/1127467516.db2.gz RZBJAKMRDWQYIA-UHFFFAOYSA-N 0 3 266.344 3.531 20 30 CHEDHN C=CCN(Cc1ccccc1C(C)(C)C#N)[C@H](C)COC ZINC000595648887 1127471197 /nfs/dbraw/zinc/47/11/97/1127471197.db2.gz VRBNNWPYOQVGAL-OAHLLOKOSA-N 0 3 286.419 3.511 20 30 CHEDHN CC(C)(C#N)CCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000596589806 1127509318 /nfs/dbraw/zinc/50/93/18/1127509318.db2.gz BBMJAPFVBDTBBO-OAHLLOKOSA-N 0 3 271.408 3.794 20 30 CHEDHN CC1(C)CN(CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000596589056 1127509532 /nfs/dbraw/zinc/50/95/32/1127509532.db2.gz IBHPNBLNQIMGMC-GOSISDBHSA-N 0 3 291.398 3.579 20 30 CHEDHN CN(Cc1ccc(O)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133871 1127528664 /nfs/dbraw/zinc/52/86/64/1127528664.db2.gz XCAHKEZPJQKIKD-UHFFFAOYSA-N 0 3 292.382 3.579 20 30 CHEDHN CCCCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000597172456 1127530032 /nfs/dbraw/zinc/53/00/32/1127530032.db2.gz ACAUPDWESCNTMK-MRXNPFEDSA-N 0 3 286.419 3.991 20 30 CHEDHN C=C(C)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483080 1127531190 /nfs/dbraw/zinc/53/11/90/1127531190.db2.gz LUGLEJNXFMTBOM-UHFFFAOYSA-N 0 3 277.795 3.811 20 30 CHEDHN N#CC1(CNC[C@H]2C[C@@H]2c2ccccc2)CCCCC1 ZINC000597225196 1127536783 /nfs/dbraw/zinc/53/67/83/1127536783.db2.gz OZGCRFCMGQKBDM-IAGOWNOFSA-N 0 3 268.404 3.854 20 30 CHEDHN CC(C)(CCC#N)CN[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361251510 1127550672 /nfs/dbraw/zinc/55/06/72/1127550672.db2.gz NYJCEMXEGSLYPA-ZDUSSCGKSA-N 0 3 294.345 3.708 20 30 CHEDHN C/C=C\C[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001308887558 1127558588 /nfs/dbraw/zinc/55/85/88/1127558588.db2.gz WONKXRSQIGNNIB-LHRDXKRPSA-N 0 3 253.389 3.716 20 30 CHEDHN CSc1ccc(F)cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000361441899 1127563751 /nfs/dbraw/zinc/56/37/51/1127563751.db2.gz XJYOQIJZOBUPHN-FZMZJTMJSA-N 0 3 278.396 3.720 20 30 CHEDHN CCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1ccc(F)cc1 ZINC000361550075 1127572018 /nfs/dbraw/zinc/57/20/18/1127572018.db2.gz DBMHIVRIJJOVGY-CYBMUJFWSA-N 0 3 285.366 3.619 20 30 CHEDHN CCC(CC)CN(CCC#N)CC1(OC)CCCC1 ZINC000361568912 1127572706 /nfs/dbraw/zinc/57/27/06/1127572706.db2.gz YLOSQXRCKWEXKB-UHFFFAOYSA-N 0 3 266.429 3.597 20 30 CHEDHN CC(C)(C)N(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602429662 1127577576 /nfs/dbraw/zinc/57/75/76/1127577576.db2.gz WMGFYTZVORJRMH-UHFFFAOYSA-N 0 3 279.387 3.754 20 30 CHEDHN CC1(C)CC(N=Nc2ccccn2)CN1Cc1ccccc1 ZINC000761255775 1127581777 /nfs/dbraw/zinc/58/17/77/1127581777.db2.gz XPCYKQUCAUWSTL-UHFFFAOYSA-N 0 3 294.402 3.534 20 30 CHEDHN CC[C@@H](C)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000602534813 1127592149 /nfs/dbraw/zinc/59/21/49/1127592149.db2.gz ROFBWHHHWYHIGC-CJNGLKHVSA-N 0 3 287.407 3.550 20 30 CHEDHN Cc1ccc(-c2nc(CNC[C@@H](C)CCC#N)co2)cc1 ZINC000602561482 1127592895 /nfs/dbraw/zinc/59/28/95/1127592895.db2.gz RBTONSIRDICINI-AWEZNQCLSA-N 0 3 283.375 3.680 20 30 CHEDHN CC[C@H](CSc1ccccc1)NCc1cccc(C#N)n1 ZINC000602569579 1127593737 /nfs/dbraw/zinc/59/37/37/1127593737.db2.gz BBIMDEWVIDCMAL-CQSZACIVSA-N 0 3 297.427 3.614 20 30 CHEDHN C[C@H](CCC#N)CN[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000602578343 1127596168 /nfs/dbraw/zinc/59/61/68/1127596168.db2.gz DGYSHQKCKQEKLA-KDOFPFPSSA-N 0 3 297.377 3.840 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000361929991 1127600263 /nfs/dbraw/zinc/60/02/63/1127600263.db2.gz OTAUUTMEMLNTIV-SFHVURJKSA-N 0 3 292.382 3.625 20 30 CHEDHN C[C@H]1CCCc2ccccc2[C@H]1NCc1cccc(C#N)n1 ZINC000602619526 1127597823 /nfs/dbraw/zinc/59/78/23/1127597823.db2.gz WQFQACKXZYIKCL-LIRRHRJNSA-N 0 3 291.398 3.757 20 30 CHEDHN Cc1cc(C)cc([C@@H]2CCN(Cc3cccc(C#N)n3)C2)c1 ZINC000602606118 1127598649 /nfs/dbraw/zinc/59/86/49/1127598649.db2.gz AEWFDMGRNYUIBI-MRXNPFEDSA-N 0 3 291.398 3.560 20 30 CHEDHN N#CCC1(CN2CCC(F)(c3ccccc3)CC2)CC1 ZINC000602821905 1127616033 /nfs/dbraw/zinc/61/60/33/1127616033.db2.gz OYNIVKXAUQRVDM-UHFFFAOYSA-N 0 3 272.367 3.641 20 30 CHEDHN N#CCC1(CN2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000602830182 1127616069 /nfs/dbraw/zinc/61/60/69/1127616069.db2.gz AIULLSREEPSDSH-AWEZNQCLSA-N 0 3 274.795 3.823 20 30 CHEDHN COc1ccccc1[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000602775108 1127612690 /nfs/dbraw/zinc/61/26/90/1127612690.db2.gz IFEHUOJZALSPOM-MRXNPFEDSA-N 0 3 284.403 3.916 20 30 CHEDHN CCOc1ccc([C@H]2CCCN2CC2(CC#N)CC2)cc1 ZINC000602756266 1127612951 /nfs/dbraw/zinc/61/29/51/1127612951.db2.gz MFGPKPGZKLPHLY-QGZVFWFLSA-N 0 3 284.403 3.916 20 30 CHEDHN N#CCC1(CN2CCC(c3ccccc3F)CC2)CC1 ZINC000602779497 1127613632 /nfs/dbraw/zinc/61/36/32/1127613632.db2.gz HNUJAAJQQJOWEQ-UHFFFAOYSA-N 0 3 272.367 3.699 20 30 CHEDHN CC(C)(C#N)CCCN[C@H](CF)c1ccc(F)cc1 ZINC000603016374 1127625660 /nfs/dbraw/zinc/62/56/60/1127625660.db2.gz GVLMSFSIUXQDDG-CQSZACIVSA-N 0 3 266.335 3.756 20 30 CHEDHN C[C@H](NCc1cccc2c1CCC2)c1ccc(C#N)cc1 ZINC000593584477 1127629727 /nfs/dbraw/zinc/62/97/27/1127629727.db2.gz GTJBIHPKYIYSIC-AWEZNQCLSA-N 0 3 276.383 3.898 20 30 CHEDHN N#Cc1ccc(CNC23CC(c4ccccc4)(C2)C3)c(F)c1 ZINC000603428564 1127648473 /nfs/dbraw/zinc/64/84/73/1127648473.db2.gz JFNZLYMUDDEFJY-UHFFFAOYSA-N 0 3 292.357 3.661 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2csc(C(F)(F)F)c2)C1 ZINC000599087565 1127656733 /nfs/dbraw/zinc/65/67/33/1127656733.db2.gz KPAXJDSELTZHPV-MWLCHTKSSA-N 0 3 288.338 3.939 20 30 CHEDHN Cc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1C#N ZINC000599386813 1127670786 /nfs/dbraw/zinc/67/07/86/1127670786.db2.gz ZHVOIMLLTICABV-CYBMUJFWSA-N 0 3 282.309 3.641 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000599530062 1127678207 /nfs/dbraw/zinc/67/82/07/1127678207.db2.gz SMGBOOOUIVRCSG-LBPRGKRZSA-N 0 3 260.768 3.610 20 30 CHEDHN N#Cc1cccc(C2([NH2+][C@@H]3CCc4cccc([O-])c43)CC2)c1 ZINC000296833134 1127683930 /nfs/dbraw/zinc/68/39/30/1127683930.db2.gz MPIJKNNWOSBQFT-MRXNPFEDSA-N 0 3 290.366 3.530 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCCC(F)(F)CC1 ZINC000599553329 1127680447 /nfs/dbraw/zinc/68/04/47/1127680447.db2.gz ZYYZVXXQVBDQFS-LBPRGKRZSA-N 0 3 264.319 3.740 20 30 CHEDHN Cc1cc2c(cc1C)[C@H](NCC1(CC#N)CC1)CCCO2 ZINC000366810945 1127748197 /nfs/dbraw/zinc/74/81/97/1127748197.db2.gz QNUIHVDDCRJGMG-MRXNPFEDSA-N 0 3 284.403 3.801 20 30 CHEDHN C#Cc1ccc(CN[C@@H]2CCCc3cnn(C(C)C)c32)cc1 ZINC000367360987 1127753109 /nfs/dbraw/zinc/75/31/09/1127753109.db2.gz MGGNORWUWLQCFQ-GOSISDBHSA-N 0 3 293.414 3.613 20 30 CHEDHN N#Cc1ccc(CNC2(c3ccccc3)CCCCC2)nc1 ZINC000593966035 1127759877 /nfs/dbraw/zinc/75/98/77/1127759877.db2.gz LQMDKCFMIMSQGV-UHFFFAOYSA-N 0 3 291.398 3.902 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC1CCOCC1 ZINC000409447418 1127770176 /nfs/dbraw/zinc/77/01/76/1127770176.db2.gz QAHLZBTZKRNWED-OALUTQOASA-N 0 3 298.430 3.575 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](OC2CCC2)C1 ZINC000594027707 1127771677 /nfs/dbraw/zinc/77/16/77/1127771677.db2.gz YPFLTZFWUCXRQE-RDTXWAMCSA-N 0 3 284.403 3.653 20 30 CHEDHN N#Cc1ccc(C2(NCc3ccccc3)CCC2)cc1 ZINC000594032111 1127771738 /nfs/dbraw/zinc/77/17/38/1127771738.db2.gz DFYVFOUBBRKUFW-UHFFFAOYSA-N 0 3 262.356 3.727 20 30 CHEDHN C=CCCCCCN(C)Cc1ncc(C)c(OC)c1C ZINC000606902247 1127781401 /nfs/dbraw/zinc/78/14/01/1127781401.db2.gz HUODOXPKJDXPMI-UHFFFAOYSA-N 0 3 276.424 3.885 20 30 CHEDHN C[C@H]1CC[C@@]2(CCN(CC#Cc3ccc(F)cc3)C2)C1 ZINC000543810835 1127793075 /nfs/dbraw/zinc/79/30/75/1127793075.db2.gz LQVCBIJICMDSTO-MAUKXSAKSA-N 0 3 271.379 3.689 20 30 CHEDHN C[C@@H](CCC#N)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000411171565 1127844677 /nfs/dbraw/zinc/84/46/77/1127844677.db2.gz IXSBPGQUYZYMEF-NSHDSACASA-N 0 3 270.298 3.829 20 30 CHEDHN CN(CCC1(C#N)CCCCC1)[C@H](CO)c1ccccc1 ZINC000411228623 1127849193 /nfs/dbraw/zinc/84/91/93/1127849193.db2.gz SLRLUZATIDUWMF-QGZVFWFLSA-N 0 3 286.419 3.516 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CC2)c(Cl)c1 ZINC000615224351 1127857188 /nfs/dbraw/zinc/85/71/88/1127857188.db2.gz LISWVLRKWZOLFQ-OAHLLOKOSA-N 0 3 260.768 3.586 20 30 CHEDHN CC1(C)CN(CCC2(C#N)CCCCC2)[C@@H]1[C@H]1CCCO1 ZINC000411752937 1127872639 /nfs/dbraw/zinc/87/26/39/1127872639.db2.gz OSTQWQCSQMIYEA-HZPDHXFCSA-N 0 3 290.451 3.740 20 30 CHEDHN CCCc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000608982259 1127896305 /nfs/dbraw/zinc/89/63/05/1127896305.db2.gz JBGDVHAZEBKFRA-UHFFFAOYSA-N 0 3 264.372 3.801 20 30 CHEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1cccnc1 ZINC000594516746 1127903103 /nfs/dbraw/zinc/90/31/03/1127903103.db2.gz FEWRAJHCKYPDIO-CQSZACIVSA-N 0 3 277.371 3.683 20 30 CHEDHN CC(C)[C@H](Cc1ccc(F)cc1)N(C)CC1(C#N)CC1 ZINC000539453381 1127923385 /nfs/dbraw/zinc/92/33/85/1127923385.db2.gz LVPPDBHHOOFIAJ-INIZCTEOSA-N 0 3 274.383 3.628 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@@H]2C)cc1Cl ZINC000539831186 1127945291 /nfs/dbraw/zinc/94/52/91/1127945291.db2.gz WVHBBZIFPBBPJH-LBPRGKRZSA-N 0 3 265.784 3.889 20 30 CHEDHN N#CCc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000544144273 1127960980 /nfs/dbraw/zinc/96/09/80/1127960980.db2.gz QCZCRIHFWVRLQW-UHFFFAOYSA-N 0 3 296.336 3.917 20 30 CHEDHN C=CCCN(C)Cc1cccc(OCC)c1OCCC ZINC000467378332 1127966487 /nfs/dbraw/zinc/96/64/87/1127966487.db2.gz UUQMUTMZGVOLBP-UHFFFAOYSA-N 0 3 277.408 3.882 20 30 CHEDHN Cc1ccc([C@H]2CCC[C@@H]2N(C)CC2(C#N)CC2)cc1 ZINC000540552148 1127984447 /nfs/dbraw/zinc/98/44/47/1127984447.db2.gz BYFGQNJDZUSRLF-SJORKVTESA-N 0 3 268.404 3.867 20 30 CHEDHN N#Cc1cncc(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000929623490 1127986271 /nfs/dbraw/zinc/98/62/71/1127986271.db2.gz XZHYBXFFSSBYBT-INIZCTEOSA-N 0 3 297.789 3.596 20 30 CHEDHN Cc1ccccc1OCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000468278785 1128001280 /nfs/dbraw/zinc/00/12/80/1128001280.db2.gz VFTKXFYXAQMUJQ-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN N#Cc1ccc(CN(CCOc2ccccc2)C2CC2)cc1 ZINC000541394335 1128022653 /nfs/dbraw/zinc/02/26/53/1128022653.db2.gz VCFFTLNVOWFEDZ-UHFFFAOYSA-N 0 3 292.382 3.602 20 30 CHEDHN C[C@H]1CN(Cc2cncc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000929716203 1128048866 /nfs/dbraw/zinc/04/88/66/1128048866.db2.gz YADLOTSOBBFDFT-KXBFYZLASA-N 0 3 291.398 3.579 20 30 CHEDHN Cc1cc(CN[C@H]2CCCOc3ccccc32)ccc1C#N ZINC000443981253 1128108497 /nfs/dbraw/zinc/10/84/97/1128108497.db2.gz FHIGCNVZJBOROO-SFHVURJKSA-N 0 3 292.382 3.870 20 30 CHEDHN CCc1cccc2c1OCC[C@H]2N[C@@H](C)CC(C)(C)C#N ZINC000925361361 1128128628 /nfs/dbraw/zinc/12/86/28/1128128628.db2.gz OEJHNKYQCOHJTK-XJKSGUPXSA-N 0 3 286.419 3.991 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(OC(C)(C)C)nc1 ZINC000926112162 1128155143 /nfs/dbraw/zinc/15/51/43/1128155143.db2.gz NIAHVPANYKUTSS-ZDUSSCGKSA-N 0 3 289.423 3.677 20 30 CHEDHN COCC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(C)o1 ZINC000926110025 1128155267 /nfs/dbraw/zinc/15/52/67/1128155267.db2.gz PBTGERGBIFNLNW-JSGCOSHPSA-N 0 3 278.396 3.584 20 30 CHEDHN C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc([O-])cc(F)c1 ZINC000926356909 1128168577 /nfs/dbraw/zinc/16/85/77/1128168577.db2.gz QVWHZMXIAXCGKC-HIFPTAJRSA-N 0 3 276.355 3.512 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000926427408 1128171734 /nfs/dbraw/zinc/17/17/34/1128171734.db2.gz FEMSVVJKTMXIJP-IUODEOHRSA-N 0 3 294.826 3.681 20 30 CHEDHN CC[C@@H](NCC#Cc1ccccc1Cl)[C@H]1CCCCO1 ZINC000653874724 1128171769 /nfs/dbraw/zinc/17/17/69/1128171769.db2.gz KAVNMESOMIWAIK-IAGOWNOFSA-N 0 3 291.822 3.629 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926567680 1128181246 /nfs/dbraw/zinc/18/12/46/1128181246.db2.gz HEKSFDKXDRNKHM-CYBMUJFWSA-N 0 3 277.799 3.642 20 30 CHEDHN COc1ccc([C@H](C)N[C@@H](C)CC(C)(C)C#N)c(OC)c1 ZINC000926758557 1128192062 /nfs/dbraw/zinc/19/20/62/1128192062.db2.gz XNISIFXFOHMVGQ-STQMWFEESA-N 0 3 290.407 3.683 20 30 CHEDHN CCCCCCCCCCN1CCc2nc[nH]c2C1 ZINC000929071785 1128256193 /nfs/dbraw/zinc/25/61/93/1128256193.db2.gz CTWJCVQIJPZQCW-UHFFFAOYSA-N 0 3 263.429 3.909 20 30 CHEDHN C[C@H](Cc1cccc(F)c1)N1CCc2ccc(C#N)cc2C1 ZINC001168479709 1128241305 /nfs/dbraw/zinc/24/13/05/1128241305.db2.gz LAYJBMQXNZMHQF-CQSZACIVSA-N 0 3 294.373 3.687 20 30 CHEDHN Cc1nc(C)c(CN(Cc2ccc(C#N)cc2)CC(C)C)[nH]1 ZINC000929396707 1128272615 /nfs/dbraw/zinc/27/26/15/1128272615.db2.gz DCBRESLCGIIUDY-UHFFFAOYSA-N 0 3 296.418 3.556 20 30 CHEDHN C=CCN1CCC(NC(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC000648773457 1128281949 /nfs/dbraw/zinc/28/19/49/1128281949.db2.gz LBWWHJFCQCVSFN-INIZCTEOSA-N 0 3 292.467 3.526 20 30 CHEDHN C[C@@H](NCCCCC1(C#N)CCC1)c1cscn1 ZINC000930962913 1128341710 /nfs/dbraw/zinc/34/17/10/1128341710.db2.gz GMZSBNCOJJDSRN-GFCCVEGCSA-N 0 3 263.410 3.658 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC(F)(F)C[C@H]1C ZINC000931255895 1128353816 /nfs/dbraw/zinc/35/38/16/1128353816.db2.gz WAJQGGUYNUOYHP-CYBMUJFWSA-N 0 3 278.346 3.795 20 30 CHEDHN Cc1cccc([C@H](NCc2cncc(C#N)c2)C(C)C)c1 ZINC000931258741 1128354683 /nfs/dbraw/zinc/35/46/83/1128354683.db2.gz WKXGFUAIMUOBBK-GOSISDBHSA-N 0 3 279.387 3.749 20 30 CHEDHN CC[C@@](C)(NCc1cncc(C#N)c1)c1ccc(F)cc1 ZINC000931380608 1128359664 /nfs/dbraw/zinc/35/96/64/1128359664.db2.gz MPNMKTZPZDKXOR-QGZVFWFLSA-N 0 3 283.350 3.507 20 30 CHEDHN C[C@H]([NH2+]CCCCC1(C#N)CCC1)c1ccccc1[O-] ZINC000931555308 1128368991 /nfs/dbraw/zinc/36/89/91/1128368991.db2.gz XHONJOSDLHRWLI-AWEZNQCLSA-N 0 3 272.392 3.907 20 30 CHEDHN COc1cc(CNCc2cc(C)c(C)cc2C)ccc1C#N ZINC000562082653 1128377895 /nfs/dbraw/zinc/37/78/95/1128377895.db2.gz UMONYXIRLDZLDZ-UHFFFAOYSA-N 0 3 294.398 3.782 20 30 CHEDHN C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])[NH+]1CCCCCC1 ZINC000915979934 1128399672 /nfs/dbraw/zinc/39/96/72/1128399672.db2.gz LPGUJPKBTTVMOC-HTMJNSLASA-N 0 3 294.826 3.729 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC=C(c2ccccn2)C1 ZINC000562479125 1128404633 /nfs/dbraw/zinc/40/46/33/1128404633.db2.gz UEYMSNZWOJESCJ-HNNXBMFYSA-N 0 3 289.382 3.804 20 30 CHEDHN CC1(C)C[C@@H](c2ccccc2)CN1Cc1ccncc1C#N ZINC000932899571 1128426039 /nfs/dbraw/zinc/42/60/39/1128426039.db2.gz VMHOMCVGBQKUML-QGZVFWFLSA-N 0 3 291.398 3.721 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000763390138 1128430774 /nfs/dbraw/zinc/43/07/74/1128430774.db2.gz SSXVSRDYWYBUCQ-QGZVFWFLSA-N 0 3 282.774 3.989 20 30 CHEDHN N#CCC1(CN2CCC[C@]3(C=Cc4ccccc4O3)C2)CC1 ZINC000933656081 1128439862 /nfs/dbraw/zinc/43/98/62/1128439862.db2.gz NDNZPZQHYCQRFY-IBGZPJMESA-N 0 3 294.398 3.621 20 30 CHEDHN C=C(C)CN(C)Cc1c(OC)ccc2ccccc21 ZINC000497101806 1128453102 /nfs/dbraw/zinc/45/31/02/1128453102.db2.gz YZKGMJDRAIBGBU-UHFFFAOYSA-N 0 3 255.361 3.856 20 30 CHEDHN C=C[C@H](CC)CC(=O)Nc1cc(CN(C)C)ccc1C ZINC000934168956 1128453247 /nfs/dbraw/zinc/45/32/47/1128453247.db2.gz MAZDNKVNKCGJCP-CQSZACIVSA-N 0 3 274.408 3.597 20 30 CHEDHN C=C(C)COCCNCc1cc(Cl)cc(Cl)c1 ZINC000125765176 1128453350 /nfs/dbraw/zinc/45/33/50/1128453350.db2.gz HXGSODWRKJXYFK-UHFFFAOYSA-N 0 3 274.191 3.676 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@H](c1ccncc1)C1CC1 ZINC000934697543 1128467392 /nfs/dbraw/zinc/46/73/92/1128467392.db2.gz JVIRCGMUZIHWHB-SFHVURJKSA-N 0 3 277.371 3.503 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1ccc(Br)cc1F ZINC000126828107 1128468462 /nfs/dbraw/zinc/46/84/62/1128468462.db2.gz CNVLUIZUQAUTMB-DTWKUNHWSA-N 0 3 272.161 3.813 20 30 CHEDHN C=CCN(Cc1cc(Br)ccc1OC)C(C)C ZINC000917069646 1128474905 /nfs/dbraw/zinc/47/49/05/1128474905.db2.gz SVQITAUICHSRQG-UHFFFAOYSA-N 0 3 298.224 3.854 20 30 CHEDHN C=CCN(Cc1cccc(C#N)c1)[C@H]1C=CCCC1 ZINC000066496931 1128475206 /nfs/dbraw/zinc/47/52/06/1128475206.db2.gz OPZAAHLWAZBLOI-KRWDZBQOSA-N 0 3 252.361 3.655 20 30 CHEDHN C=CCN(Cc1cc(=O)oc2cc(CC)ccc12)C(C)C ZINC000917166696 1128489312 /nfs/dbraw/zinc/48/93/12/1128489312.db2.gz ARRYESXKXOMANT-UHFFFAOYSA-N 0 3 285.387 3.752 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(C)n2)c([O-])c1 ZINC000917559809 1128506059 /nfs/dbraw/zinc/50/60/59/1128506059.db2.gz VYJPYKCUOXTFMR-UNOMPAQXSA-N 0 3 297.402 3.561 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000564529003 1128511339 /nfs/dbraw/zinc/51/13/39/1128511339.db2.gz MANBHSHXTJFGIY-CYBMUJFWSA-N 0 3 294.320 3.809 20 30 CHEDHN CCCCCCCCCC(=O)N[C@@H]1CCCN(CC)C1 ZINC000918396401 1128543169 /nfs/dbraw/zinc/54/31/69/1128543169.db2.gz NQQXOKHIVUIXJG-MRXNPFEDSA-N 0 3 282.472 3.728 20 30 CHEDHN Cc1ccccc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000041544590 1128547335 /nfs/dbraw/zinc/54/73/35/1128547335.db2.gz LLXNOZKBEPTCIU-AWEZNQCLSA-N 0 3 290.322 3.555 20 30 CHEDHN CCCSCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000918483683 1128547437 /nfs/dbraw/zinc/54/74/37/1128547437.db2.gz ODCHFGIXMQJNEF-JTQLQIEISA-N 0 3 290.413 3.616 20 30 CHEDHN Cc1cc(F)ccc1CN(C)CCOc1ccccc1C#N ZINC000566686099 1128549298 /nfs/dbraw/zinc/54/92/98/1128549298.db2.gz SXACMWXCUZEDID-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN N#CCc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000567588274 1128567866 /nfs/dbraw/zinc/56/78/66/1128567866.db2.gz RSUATKWGYPRUSN-GOSISDBHSA-N 0 3 292.382 3.756 20 30 CHEDHN CC[C@H](Cc1ccc(Cl)cc1)NC[C@@H](C#N)CCC#N ZINC000569213839 1128601405 /nfs/dbraw/zinc/60/14/05/1128601405.db2.gz GCSMEOMPDJKRTA-GDBMZVCRSA-N 0 3 289.810 3.694 20 30 CHEDHN CC#CCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000572909295 1128649513 /nfs/dbraw/zinc/64/95/13/1128649513.db2.gz LCOOQKNKCDDNMG-LBPRGKRZSA-N 0 3 269.310 3.592 20 30 CHEDHN N#CC(C(=O)CCc1ccccc1Cl)c1ccccn1 ZINC000046705961 1128664154 /nfs/dbraw/zinc/66/41/54/1128664154.db2.gz YCFAJVWFCVRAGP-ZDUSSCGKSA-N 0 3 284.746 3.544 20 30 CHEDHN N#Cc1ccc(CN2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800714 1128726506 /nfs/dbraw/zinc/72/65/06/1128726506.db2.gz QQPFEFHCISMKCG-SFHVURJKSA-N 0 3 294.423 3.848 20 30 CHEDHN N#CC(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccn1 ZINC000049458246 1117749265 /nfs/dbraw/zinc/74/92/65/1117749265.db2.gz HPXCWXKHVBXDDA-SRVKXCTJSA-N 0 3 296.292 3.627 20 30 CHEDHN COC(C)(C)[C@H]1CCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238192993 1117818518 /nfs/dbraw/zinc/81/85/18/1117818518.db2.gz XMNKBYQTZXSAOB-OAHLLOKOSA-N 0 3 292.810 3.601 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(F)cc2)c1 ZINC000073012659 1117867338 /nfs/dbraw/zinc/86/73/38/1117867338.db2.gz DVKDFNFLCISCBE-KRWDZBQOSA-N 0 3 298.361 3.796 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000119356205 1117891150 /nfs/dbraw/zinc/89/11/50/1117891150.db2.gz LNNBDLPXPXAESM-VHSXEESVSA-N 0 3 269.772 3.582 20 30 CHEDHN N#CC(C(=O)C=Cc1ccc2ccccc2n1)c1ccccn1 ZINC000254952066 1117914701 /nfs/dbraw/zinc/91/47/01/1117914701.db2.gz VKDNGKVPMCYLHO-BLIJAFNYSA-N 0 3 299.333 3.519 20 30 CHEDHN COc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1F ZINC000921504005 1117916325 /nfs/dbraw/zinc/91/63/25/1117916325.db2.gz VDLBVERYMZBQDJ-UHFFFAOYSA-N 0 3 298.361 3.613 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](CCC)c1ccc(F)cc1F ZINC000181675288 1118003662 /nfs/dbraw/zinc/00/36/62/1118003662.db2.gz NSYBCSZAWPNREN-XJKSGUPXSA-N 0 3 283.362 3.723 20 30 CHEDHN C[C@H](NCCCSCC#N)c1nc(C(C)(C)C)cs1 ZINC000184450210 1118055121 /nfs/dbraw/zinc/05/51/21/1118055121.db2.gz NHBCUDLFEQNMDM-NSHDSACASA-N 0 3 297.493 3.738 20 30 CHEDHN C#CCN[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000764599411 1118101272 /nfs/dbraw/zinc/10/12/72/1118101272.db2.gz NSLHLUDWYRFQKA-AWEZNQCLSA-N 0 3 283.346 3.689 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000765013512 1118129431 /nfs/dbraw/zinc/12/94/31/1118129431.db2.gz HUNSLVHVEDCICG-GOSISDBHSA-N 0 3 294.423 3.678 20 30 CHEDHN C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccc(C#N)cc1 ZINC000921516982 1118155965 /nfs/dbraw/zinc/15/59/65/1118155965.db2.gz WXZRGBXRZSINLQ-KGLIPLIRSA-N 0 3 292.382 3.732 20 30 CHEDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C#N)cc1 ZINC000172113127 1118199551 /nfs/dbraw/zinc/19/95/51/1118199551.db2.gz OWADLMCTIIUIQM-ZDUSSCGKSA-N 0 3 297.377 3.614 20 30 CHEDHN CC(C)(NCc1csc(C#N)c1)c1ccccc1 ZINC000921600073 1118202943 /nfs/dbraw/zinc/20/29/43/1118202943.db2.gz JJHMYGASOUIMKQ-UHFFFAOYSA-N 0 3 256.374 3.645 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000076734353 1118215071 /nfs/dbraw/zinc/21/50/71/1118215071.db2.gz CIQRCHCIFSMMSW-CYBMUJFWSA-N 0 3 294.826 3.873 20 30 CHEDHN FC(F)CC1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC000932804197 1118312891 /nfs/dbraw/zinc/31/28/91/1118312891.db2.gz BOWYKBBMGFGBNK-ALOPSCKCSA-N 0 3 289.369 3.936 20 30 CHEDHN N#CC(C(=O)CC/C=C\c1ccccc1)c1ccccn1 ZINC000255160985 1118352590 /nfs/dbraw/zinc/35/25/90/1118352590.db2.gz PXVAMBLZSZFNCS-FIRRRZPPSA-N 0 3 276.339 3.751 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000334194129 1118545942 /nfs/dbraw/zinc/54/59/42/1118545942.db2.gz ITYWMHCGACONKM-HNNXBMFYSA-N 0 3 272.348 3.536 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334523238 1118554662 /nfs/dbraw/zinc/55/46/62/1118554662.db2.gz PNPFQXKLHPCYLQ-IFXJQAMLSA-N 0 3 291.398 3.990 20 30 CHEDHN Cc1cncc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000334921011 1118562204 /nfs/dbraw/zinc/56/22/04/1118562204.db2.gz IIGDLTHESSBMCM-AUUYWEPGSA-N 0 3 291.398 3.990 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000178046843 1118613031 /nfs/dbraw/zinc/61/30/31/1118613031.db2.gz LPIUKDRHYCYCBI-LJQANCHMSA-N 0 3 291.398 3.635 20 30 CHEDHN C=CC[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000625704559 1118658269 /nfs/dbraw/zinc/65/82/69/1118658269.db2.gz VARATGZGCADOMD-AWEZNQCLSA-N 0 3 268.360 3.740 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@]3(CC=CCC3)C2)s1 ZINC000126773014 1118677404 /nfs/dbraw/zinc/67/74/04/1118677404.db2.gz NZBIAEPNMLMEMS-MRXNPFEDSA-N 0 3 272.417 3.942 20 30 CHEDHN Cc1cc(Cl)cc(CNCc2cccc(C#N)c2)c1 ZINC000395155215 1118679888 /nfs/dbraw/zinc/67/98/88/1118679888.db2.gz QCPSGMWJPKHOIG-UHFFFAOYSA-N 0 3 270.763 3.810 20 30 CHEDHN N#Cc1cc(CN2CC[C@H](c3ccccc3)C2)cs1 ZINC000891631046 1118726806 /nfs/dbraw/zinc/72/68/06/1118726806.db2.gz SCOWUABTASXXKI-HNNXBMFYSA-N 0 3 268.385 3.609 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCc1c(F)cc(F)c(F)c1F ZINC000430743072 1118766193 /nfs/dbraw/zinc/76/61/93/1118766193.db2.gz NRWGFFRUZYTNDB-IUCAKERBSA-N 0 3 275.289 3.933 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cc2ccccc2o1 ZINC000090883782 1118777901 /nfs/dbraw/zinc/77/79/01/1118777901.db2.gz GPQDBSQTMXMLJB-ZDUSSCGKSA-N 0 3 259.349 3.676 20 30 CHEDHN C=CCC(C)(C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000426416908 1118871572 /nfs/dbraw/zinc/87/15/72/1118871572.db2.gz NBTLIPOADOAZOI-UHFFFAOYSA-N 0 3 285.391 3.652 20 30 CHEDHN C=CCOc1ccccc1CN1CCC(OC(C)C)CC1 ZINC000535797017 1118887649 /nfs/dbraw/zinc/88/76/49/1118887649.db2.gz VKDFQBPMAATJQB-UHFFFAOYSA-N 0 3 289.419 3.641 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\C2CCSCC2)c([O-])c1 ZINC000255423936 1118907978 /nfs/dbraw/zinc/90/79/78/1118907978.db2.gz BVTKEPTWESGARW-ATVHPVEESA-N 0 3 292.448 3.553 20 30 CHEDHN C=C(C)CN(C)Cc1ccccc1Oc1cccnc1 ZINC000181277768 1118911760 /nfs/dbraw/zinc/91/17/60/1118911760.db2.gz QQUMHHAORJZSMQ-UHFFFAOYSA-N 0 3 268.360 3.882 20 30 CHEDHN N#Cc1cc(CN2CC[C@H](c3ccc(Cl)cc3)C2)ccn1 ZINC000610993001 1118917494 /nfs/dbraw/zinc/91/74/94/1118917494.db2.gz ZCMSHHRMZQUQAN-HNNXBMFYSA-N 0 3 297.789 3.596 20 30 CHEDHN CC(C)(C)[C@@H](NCc1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000610993556 1118918218 /nfs/dbraw/zinc/91/82/18/1118918218.db2.gz UOYKXOXYNNXZFF-KRWDZBQOSA-N 0 3 297.377 3.969 20 30 CHEDHN C[C@@H]1CN(Cc2ccnc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000610994401 1118919336 /nfs/dbraw/zinc/91/93/36/1118919336.db2.gz YXVIQDGVYYEYJL-BEFAXECRSA-N 0 3 291.398 3.579 20 30 CHEDHN CCc1ccc([C@@H]2CCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC000582249827 1119039508 /nfs/dbraw/zinc/03/95/08/1119039508.db2.gz ZYDKXPNJONAOIQ-GOSISDBHSA-N 0 3 291.398 3.505 20 30 CHEDHN C=CC[C@H]1CCN1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000934464619 1119079003 /nfs/dbraw/zinc/07/90/03/1119079003.db2.gz GNZDPPDXUVZFQP-AWEZNQCLSA-N 0 3 290.432 3.611 20 30 CHEDHN C=CC[C@H]1CCN1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000934468054 1119080975 /nfs/dbraw/zinc/08/09/75/1119080975.db2.gz ZCMHJEOKXOZBJP-HNNXBMFYSA-N 0 3 283.371 3.560 20 30 CHEDHN C=CCCn1cc(CN[C@H]2CCC[C@H](C(C)C)CC2)nn1 ZINC000657438803 1119091555 /nfs/dbraw/zinc/09/15/55/1119091555.db2.gz VHBAGWSQBYNELK-HOTGVXAUSA-N 0 3 290.455 3.549 20 30 CHEDHN CCC1(CC)CCC(NCc2nc(C#N)cs2)CC1 ZINC000352904845 1119094563 /nfs/dbraw/zinc/09/45/63/1119094563.db2.gz UZCVZKBIXAGNDQ-UHFFFAOYSA-N 0 3 277.437 3.853 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cccc2nccn21 ZINC000342642347 1119108185 /nfs/dbraw/zinc/10/81/85/1119108185.db2.gz WKCIWQMYIMCHCZ-UHFFFAOYSA-N 0 3 291.398 3.565 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000661114978 1119181787 /nfs/dbraw/zinc/18/17/87/1119181787.db2.gz NSIUBXHHVHYQDE-TZMCWYRMSA-N 0 3 260.381 3.777 20 30 CHEDHN C=CCCC1(CNCc2ncc(COC)s2)CCCC1 ZINC000657567551 1119187740 /nfs/dbraw/zinc/18/77/40/1119187740.db2.gz TURORQFNPCLFDK-UHFFFAOYSA-N 0 3 294.464 3.906 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3ccccc32)s1 ZINC000135666631 1119206289 /nfs/dbraw/zinc/20/62/89/1119206289.db2.gz ZVRMWDJUXCLTPT-MRXNPFEDSA-N 0 3 268.385 3.787 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccco2)no1 ZINC000661120004 1119209143 /nfs/dbraw/zinc/20/91/43/1119209143.db2.gz YOVSKVJNEUVZHE-OLZOCXBDSA-N 0 3 287.363 3.554 20 30 CHEDHN C=CCC1(NCc2ncc(C(C)(C)C)s2)CCOCC1 ZINC000657633417 1119217359 /nfs/dbraw/zinc/21/73/59/1119217359.db2.gz OPSQIZIBRAFQQE-UHFFFAOYSA-N 0 3 294.464 3.656 20 30 CHEDHN N#Cc1ccc(F)c(CNc2ccnc3ccccc32)c1 ZINC000078474786 1119226141 /nfs/dbraw/zinc/22/61/41/1119226141.db2.gz PVELWJNGYDVVLW-UHFFFAOYSA-N 0 3 277.302 3.858 20 30 CHEDHN C=CCCC[C@@H](C)N(C)CC(=O)Nc1cccc(C)c1C ZINC000091508201 1119256961 /nfs/dbraw/zinc/25/69/61/1119256961.db2.gz XLATZUNCNMXEBU-OAHLLOKOSA-N 0 3 288.435 3.919 20 30 CHEDHN C=CCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167745592 1119440050 /nfs/dbraw/zinc/44/00/50/1119440050.db2.gz LQVLPCOWIRMOOS-UHFFFAOYSA-N 0 3 283.215 4.000 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(C(C)(C)O)cc2)c1 ZINC000926549726 1119465470 /nfs/dbraw/zinc/46/54/70/1119465470.db2.gz HHMWMTSWEAJMLJ-HNNXBMFYSA-N 0 3 293.410 3.746 20 30 CHEDHN C=C(C)CCNCc1cc(F)ccc1Br ZINC000168964169 1119486989 /nfs/dbraw/zinc/48/69/89/1119486989.db2.gz BQBYSLRPXZDCPL-UHFFFAOYSA-N 0 3 272.161 3.644 20 30 CHEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cccc(C#N)c2F)C1 ZINC000300241072 1119493786 /nfs/dbraw/zinc/49/37/86/1119493786.db2.gz AXWLKOSMMLKYDD-AGIUHOORSA-N 0 3 260.356 3.564 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000628405827 1128856055 /nfs/dbraw/zinc/85/60/55/1128856055.db2.gz VTBXOAIVVBOMJO-GFCCVEGCSA-N 0 3 295.810 3.755 20 30 CHEDHN C=CCC[C@H](NC[C@H]1CCC[C@H](C)O1)c1ccco1 ZINC000658215281 1119707934 /nfs/dbraw/zinc/70/79/34/1119707934.db2.gz GYANIHWYSMPZQQ-ZNMIVQPWSA-N 0 3 263.381 3.834 20 30 CHEDHN N#CC(C(=O)CC[C@H]1CCc2ccccc21)c1ccccn1 ZINC000892483026 1119771890 /nfs/dbraw/zinc/77/18/90/1119771890.db2.gz JFXVESIMGBAGQQ-WBVHZDCISA-N 0 3 290.366 3.768 20 30 CHEDHN C=CCOCCCN[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000926705720 1119831732 /nfs/dbraw/zinc/83/17/32/1119831732.db2.gz VRJJNANWBVKRFW-IBGZPJMESA-N 0 3 296.414 3.662 20 30 CHEDHN C=C1CCC(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000892553471 1119934860 /nfs/dbraw/zinc/93/48/60/1119934860.db2.gz OKQQTWYETBWODH-ZDUSSCGKSA-N 0 3 280.327 3.750 20 30 CHEDHN C=C1CCC(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000892553470 1119935348 /nfs/dbraw/zinc/93/53/48/1119935348.db2.gz OKQQTWYETBWODH-CYBMUJFWSA-N 0 3 280.327 3.750 20 30 CHEDHN CO[C@@](C)([C@H](C)N[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000414239903 1119951844 /nfs/dbraw/zinc/95/18/44/1119951844.db2.gz NEIFWVLOLPSNBY-PEBVRCNWSA-N 0 3 290.382 3.552 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1nccs1 ZINC000414302528 1119972969 /nfs/dbraw/zinc/97/29/69/1119972969.db2.gz MOIQIAJIHISEHU-UKRRQHHQSA-N 0 3 272.417 3.981 20 30 CHEDHN CC(C)(C#N)CN[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000613540409 1120015988 /nfs/dbraw/zinc/01/59/88/1120015988.db2.gz WATNDBASNHIPGH-CABCVRRESA-N 0 3 260.356 3.601 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1CCC(F)(F)C1 ZINC000311878320 1120105303 /nfs/dbraw/zinc/10/53/03/1120105303.db2.gz MUSBLNNHJJRJHM-ZDUSSCGKSA-N 0 3 267.319 3.529 20 30 CHEDHN CN1CC[C@H](Nc2cccc(F)c2C#N)[C@@H]1c1ccccc1 ZINC000301828703 1120145650 /nfs/dbraw/zinc/14/56/50/1120145650.db2.gz GLQKRUZYYZSPTK-ROUUACIJSA-N 0 3 295.361 3.555 20 30 CHEDHN CN1CC[C@H](Nc2ccc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000302835572 1120164128 /nfs/dbraw/zinc/16/41/28/1120164128.db2.gz VPMCDASBGKJGHV-ZWKOTPCHSA-N 0 3 295.361 3.555 20 30 CHEDHN C=CC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccncc1 ZINC000921746367 1120195109 /nfs/dbraw/zinc/19/51/09/1120195109.db2.gz AYOVKKZYHWXJID-GOSISDBHSA-N 0 3 294.398 3.814 20 30 CHEDHN C[C@@]1(NCc2csc(C#N)c2)CCCc2ccccc21 ZINC000921746838 1120195287 /nfs/dbraw/zinc/19/52/87/1120195287.db2.gz NQRHBWQASITUHS-QGZVFWFLSA-N 0 3 282.412 3.961 20 30 CHEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000172620592 1120202141 /nfs/dbraw/zinc/20/21/41/1120202141.db2.gz CHAVNSCZXSDQEY-SFHVURJKSA-N 0 3 298.361 3.969 20 30 CHEDHN C[C@@H](N[C@H](CCCO)c1ccccc1)c1cccc(C#N)c1 ZINC000305756607 1120223951 /nfs/dbraw/zinc/22/39/51/1120223951.db2.gz ALWDMRNGPUASCT-DNVCBOLYSA-N 0 3 294.398 3.723 20 30 CHEDHN C=C(Br)CNC[C@@H](C)c1cccc(Cl)c1 ZINC000308975781 1120225730 /nfs/dbraw/zinc/22/57/30/1120225730.db2.gz GPXNURSDECJUFK-SECBINFHSA-N 0 3 288.616 3.942 20 30 CHEDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccccc2C#N)C1 ZINC000076069618 1120275085 /nfs/dbraw/zinc/27/50/85/1120275085.db2.gz PWVWTDCGTSMSFI-JKSUJKDBSA-N 0 3 274.433 3.664 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CC2 ZINC000113310589 1120318659 /nfs/dbraw/zinc/31/86/59/1120318659.db2.gz RZZQAYVKVAXGKN-GOSISDBHSA-N 0 3 262.356 3.644 20 30 CHEDHN COc1ccccc1/C=C\CN(C)Cc1cccc(C#N)c1 ZINC000255172778 1120340128 /nfs/dbraw/zinc/34/01/28/1120340128.db2.gz QWDUNHCAFDGFFV-POHAHGRESA-N 0 3 292.382 3.712 20 30 CHEDHN N#Cc1cc(CNC[C@@H]2CCC3(CCCCC3)O2)cs1 ZINC000922049841 1120346510 /nfs/dbraw/zinc/34/65/10/1120346510.db2.gz QCHAOWANOBYAMV-AWEZNQCLSA-N 0 3 290.432 3.591 20 30 CHEDHN C=CCSCCN[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000925355053 1120448508 /nfs/dbraw/zinc/44/85/08/1120448508.db2.gz ZZPZAUSSQYXYDI-GOSISDBHSA-N 0 3 298.455 3.988 20 30 CHEDHN Cc1ccc([C@H](C)NCc2ccc(C#N)cc2F)c(O)c1C ZINC000756541948 1120485374 /nfs/dbraw/zinc/48/53/74/1120485374.db2.gz HTTRXHJPBAXSMW-ZDUSSCGKSA-N 0 3 298.361 3.871 20 30 CHEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000154350499 1120544935 /nfs/dbraw/zinc/54/49/35/1120544935.db2.gz GIHXHYDCPVGUGW-SJKOYZFVSA-N 0 3 296.418 3.711 20 30 CHEDHN CC(C)[C@H](c1ccccc1)N(C)Cc1ccc(C#N)o1 ZINC000093361637 1120559617 /nfs/dbraw/zinc/55/96/17/1120559617.db2.gz VVPLFIRTHAZKES-QGZVFWFLSA-N 0 3 268.360 3.980 20 30 CHEDHN CC(C)(/C=C/Cl)NCc1cccc(OCCCC#N)c1 ZINC000922648306 1120571484 /nfs/dbraw/zinc/57/14/84/1120571484.db2.gz HOJRQVUMPOZXIC-CMDGGOBGSA-N 0 3 292.810 3.990 20 30 CHEDHN C=C(C)CCN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000509023230 1120598202 /nfs/dbraw/zinc/59/82/02/1120598202.db2.gz PLECHJBXFRUBAK-KRWDZBQOSA-N 0 3 270.351 3.866 20 30 CHEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000925693515 1120604232 /nfs/dbraw/zinc/60/42/32/1120604232.db2.gz PBHVNUZVHXJLJV-NWDGAFQWSA-N 0 3 275.352 3.574 20 30 CHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccccc1C ZINC000125731805 1120623082 /nfs/dbraw/zinc/62/30/82/1120623082.db2.gz BAHVYBCUZRGZLP-UHFFFAOYSA-N 0 3 294.398 3.515 20 30 CHEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1F ZINC000618741235 1128935543 /nfs/dbraw/zinc/93/55/43/1128935543.db2.gz CGURSCOGAUVSRP-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1C#N ZINC000618741302 1128935683 /nfs/dbraw/zinc/93/56/83/1128935683.db2.gz DRLNRRHHBZDBRM-IBGZPJMESA-N 0 3 287.366 3.515 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(-c2ccoc2)no1 ZINC000661116380 1120720933 /nfs/dbraw/zinc/72/09/33/1120720933.db2.gz JKKSVYBMPQTKPR-TZMCWYRMSA-N 0 3 287.363 3.554 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2nc(C(F)(F)F)cs2)C1 ZINC000651719694 1120724160 /nfs/dbraw/zinc/72/41/60/1120724160.db2.gz BESPTOLBIQNZIA-NXEZZACHSA-N 0 3 290.354 3.996 20 30 CHEDHN C=C(CC)CNCc1ccc(CSC(F)F)o1 ZINC000313477410 1120732758 /nfs/dbraw/zinc/73/27/58/1120732758.db2.gz CVDIBBUIUBMTDZ-UHFFFAOYSA-N 0 3 261.337 3.791 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651745738 1120733294 /nfs/dbraw/zinc/73/32/94/1120733294.db2.gz UVOJQBAWASSACM-INIZCTEOSA-N 0 3 296.414 3.992 20 30 CHEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651824188 1120754796 /nfs/dbraw/zinc/75/47/96/1120754796.db2.gz JOPSZRBDLHJHMJ-QAPCUYQASA-N 0 3 296.414 3.726 20 30 CHEDHN C=CC[C@@H](C)N[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652166394 1120794540 /nfs/dbraw/zinc/79/45/40/1120794540.db2.gz QNRQKLPQRJPSAT-RDTXWAMCSA-N 0 3 282.387 3.734 20 30 CHEDHN C=CCN(Cc1ccc(Br)cn1)C(C)(C)C ZINC000661756574 1120808855 /nfs/dbraw/zinc/80/88/55/1120808855.db2.gz QTGDKHJIOPWNNM-UHFFFAOYSA-N 0 3 283.213 3.631 20 30 CHEDHN C=CCN(Cc1ccc(C(F)(F)F)cn1)C(C)(C)C ZINC000661759423 1120810361 /nfs/dbraw/zinc/81/03/61/1120810361.db2.gz FQTJJBSLVBUFHC-UHFFFAOYSA-N 0 3 272.314 3.887 20 30 CHEDHN CC(C)[C@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000343919300 1120964141 /nfs/dbraw/zinc/96/41/41/1120964141.db2.gz CCCMLJOKSBUQGO-QGZVFWFLSA-N 0 3 281.403 3.821 20 30 CHEDHN CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CC=CCC1 ZINC000344031193 1121058245 /nfs/dbraw/zinc/05/82/45/1121058245.db2.gz COYMGRWGXUCCQF-OAHLLOKOSA-N 0 3 279.387 3.599 20 30 CHEDHN Cc1nc(C)c([C@H](C)NCc2ccc(C)c(C#N)c2)s1 ZINC000701826223 1121169941 /nfs/dbraw/zinc/16/99/41/1121169941.db2.gz JTPMTTCRSJWRRW-NSHDSACASA-N 0 3 285.416 3.791 20 30 CHEDHN CN(CCCCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC001175249625 1121247540 /nfs/dbraw/zinc/24/75/40/1121247540.db2.gz HIWVACQOVCMBGD-DLBZAZTESA-N 0 3 256.393 3.633 20 30 CHEDHN CN(Cc1ccc(F)cc1C#N)[C@@H]1CCc2ccccc2C1 ZINC000512325156 1121261015 /nfs/dbraw/zinc/26/10/15/1121261015.db2.gz UEJFDDAVUFNJCU-LJQANCHMSA-N 0 3 294.373 3.687 20 30 CHEDHN N#Cc1ccc(CNc2ccnc3ccccc32)cc1 ZINC000041720806 1121280993 /nfs/dbraw/zinc/28/09/93/1121280993.db2.gz GCPBKPXHMCQVKV-UHFFFAOYSA-N 0 3 259.312 3.719 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000619287022 1128981950 /nfs/dbraw/zinc/98/19/50/1128981950.db2.gz GYAGNNFGDIJOKM-RISCZKNCSA-N 0 3 282.309 3.639 20 30 CHEDHN C[C@H](NCCCNc1ccccc1)c1ccc(C#N)cc1F ZINC000512631968 1121499868 /nfs/dbraw/zinc/49/98/68/1121499868.db2.gz VHJMRXQXHIXWQZ-AWEZNQCLSA-N 0 3 297.377 3.850 20 30 CHEDHN C#CC[C@H]1CCN(Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC001176069208 1121546896 /nfs/dbraw/zinc/54/68/96/1121546896.db2.gz HRMVPAGYVFNPSN-AWEZNQCLSA-N 0 3 291.822 3.972 20 30 CHEDHN N#Cc1ccc([O-])c(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001176199638 1121586042 /nfs/dbraw/zinc/58/60/42/1121586042.db2.gz XYZXAVAWCOCJKT-UHFFFAOYSA-N 0 3 293.370 3.603 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000611327085 1121638126 /nfs/dbraw/zinc/63/81/26/1121638126.db2.gz HNTHBBCIWFYYQA-UONOGXRCSA-N 0 3 265.360 3.674 20 30 CHEDHN COCC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000611389378 1121641923 /nfs/dbraw/zinc/64/19/23/1121641923.db2.gz VAKSTKFVRFDFBW-KXBFYZLASA-N 0 3 294.398 3.987 20 30 CHEDHN CC[C@@H](NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611377219 1121641955 /nfs/dbraw/zinc/64/19/55/1121641955.db2.gz BOKWYJPWYVUXTE-MRXNPFEDSA-N 0 3 285.778 3.848 20 30 CHEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC001176798573 1121697587 /nfs/dbraw/zinc/69/75/87/1121697587.db2.gz SXDGCVFJXMPAKD-ZDUSSCGKSA-N 0 3 294.826 3.955 20 30 CHEDHN C(=NNC1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000727652745 1121730591 /nfs/dbraw/zinc/73/05/91/1121730591.db2.gz XNNRALPCMGRSCF-UHFFFAOYSA-N 0 3 271.408 3.543 20 30 CHEDHN CCN(C)c1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000773734344 1121774146 /nfs/dbraw/zinc/77/41/46/1121774146.db2.gz QUWINXLHAWWXPG-UHFFFAOYSA-N 0 3 293.414 3.646 20 30 CHEDHN Cc1oc2ccccc2c1CNCC1(CC#N)CC1 ZINC000430027539 1121826004 /nfs/dbraw/zinc/82/60/04/1121826004.db2.gz RZIOSIXVGMNONO-UHFFFAOYSA-N 0 3 254.333 3.525 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000501254653 1121964264 /nfs/dbraw/zinc/96/42/64/1121964264.db2.gz SGUJJOIEHADNJU-RDJZCZTQSA-N 0 3 284.403 3.721 20 30 CHEDHN N#CC1(CN2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000501536945 1121986219 /nfs/dbraw/zinc/98/62/19/1121986219.db2.gz AIKYVXYBWUROPS-MRXNPFEDSA-N 0 3 254.377 3.907 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618802372 1121993376 /nfs/dbraw/zinc/99/33/76/1121993376.db2.gz JFEDBKBNUKTKGX-ACJLOTCBSA-N 0 3 277.371 3.600 20 30 CHEDHN Fc1ccc2c(c1)[C@H](NCC#Cc1ccccc1)CCC2 ZINC001181426623 1122051787 /nfs/dbraw/zinc/05/17/87/1122051787.db2.gz BOFFJQARKPJBNT-LJQANCHMSA-N 0 3 279.358 3.844 20 30 CHEDHN CC(C)(C#N)CCN[C@@H](CC(F)F)c1ccccc1 ZINC000421002985 1122059175 /nfs/dbraw/zinc/05/91/75/1122059175.db2.gz YLYNEDSOMMCANW-ZDUSSCGKSA-N 0 3 266.335 3.912 20 30 CHEDHN C#C[C@H]1CC[C@H](NCc2c(Cl)ccnc2Cl)CC1 ZINC001183652879 1122233175 /nfs/dbraw/zinc/23/31/75/1122233175.db2.gz XKMMQRSQHAIVGT-XYPYZODXSA-N 0 3 283.202 3.670 20 30 CHEDHN C=CC[C@H](NCc1ccc(C)c(OC)c1)c1ccncc1 ZINC000774990395 1122381805 /nfs/dbraw/zinc/38/18/05/1122381805.db2.gz TVILAMZWWUVTMB-KRWDZBQOSA-N 0 3 282.387 3.806 20 30 CHEDHN CCc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000505601650 1122435079 /nfs/dbraw/zinc/43/50/79/1122435079.db2.gz HKVYFPKUPWFDHB-UHFFFAOYSA-N 0 3 264.372 3.753 20 30 CHEDHN C=CCN(CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000515547010 1122509025 /nfs/dbraw/zinc/50/90/25/1122509025.db2.gz DDDLAIZVAAMGNS-UHFFFAOYSA-N 0 3 292.382 3.625 20 30 CHEDHN N#Cc1cc(CN2CCCC3(CC(F)C3)CC2)ccc1F ZINC001205496669 1122528191 /nfs/dbraw/zinc/52/81/91/1122528191.db2.gz KNRACWZTHNPJIE-UHFFFAOYSA-N 0 3 290.357 3.802 20 30 CHEDHN C=C(C)Cc1ccc(C(=O)Nc2cnccc2N(C)C)cc1 ZINC001190216344 1122530193 /nfs/dbraw/zinc/53/01/93/1122530193.db2.gz HNNFITQUJWZUNS-UHFFFAOYSA-N 0 3 295.386 3.519 20 30 CHEDHN C=CCC[C@H](O)CNC(C)(C)c1cc(Cl)ccc1OC ZINC000425512328 1122539086 /nfs/dbraw/zinc/53/90/86/1122539086.db2.gz MTKJWHYMDYMFNQ-ZDUSSCGKSA-N 0 3 297.826 3.500 20 30 CHEDHN C=C(Cl)CN(CCC)[C@@H]1C[C@H](OCC)C1(C)C ZINC001191099120 1122571212 /nfs/dbraw/zinc/57/12/12/1122571212.db2.gz IUJQKJVPPLCZIG-OLZOCXBDSA-N 0 3 259.821 3.655 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(Br)cs1 ZINC000505886567 1122585309 /nfs/dbraw/zinc/58/53/09/1122585309.db2.gz HWYHSKORCROCQN-UHFFFAOYSA-N 0 3 274.227 3.909 20 30 CHEDHN C=CCCCCN(C)C1(C(=O)OCC)CCCCC1 ZINC001191731249 1122612492 /nfs/dbraw/zinc/61/24/92/1122612492.db2.gz MDSKTGYOYBTFSX-UHFFFAOYSA-N 0 3 267.413 3.541 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000437143638 1122616680 /nfs/dbraw/zinc/61/66/80/1122616680.db2.gz MQFHPQCDQXSSLB-UHFFFAOYSA-N 0 3 281.403 3.857 20 30 CHEDHN Cc1ccc(C)c(OCCCN2CCC(C)(C#N)CC2)c1 ZINC000506012487 1122625745 /nfs/dbraw/zinc/62/57/45/1122625745.db2.gz LCVKSDQDXOREEQ-UHFFFAOYSA-N 0 3 286.419 3.698 20 30 CHEDHN CCS[C@H]1CC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000437579541 1122642751 /nfs/dbraw/zinc/64/27/51/1122642751.db2.gz PUGPBYHCBJKLTQ-IRXDYDNUSA-N 0 3 291.435 3.783 20 30 CHEDHN CCN(Cc1cccc(C#N)c1)Cc1cccc(OC)c1 ZINC001203764562 1122658822 /nfs/dbraw/zinc/65/88/22/1122658822.db2.gz UXJHNICRCPAFTD-UHFFFAOYSA-N 0 3 280.371 3.589 20 30 CHEDHN C=CCN(C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000426154887 1122725817 /nfs/dbraw/zinc/72/58/17/1122725817.db2.gz UMUSYGLULYHBKK-UHFFFAOYSA-N 0 3 295.308 3.713 20 30 CHEDHN C=CC[C@@H]1N([C@H](C)C(=O)OCCCC)CCCC1(C)C ZINC001193921127 1122729545 /nfs/dbraw/zinc/72/95/45/1122729545.db2.gz UPHIKGULFHDRBY-CABCVRRESA-N 0 3 281.440 3.785 20 30 CHEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000506634872 1122795153 /nfs/dbraw/zinc/79/51/53/1122795153.db2.gz UJWQJJYXCIGPOJ-HNNXBMFYSA-N 0 3 292.382 3.974 20 30 CHEDHN CC1(C2CC2)CCN(CC#Cc2ccccc2)CC1 ZINC000519481399 1122841663 /nfs/dbraw/zinc/84/16/63/1122841663.db2.gz LEFTXERQAKUWTI-UHFFFAOYSA-N 0 3 253.389 3.550 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN(C)Cc1ccc(O)cc1 ZINC000894480828 1122861062 /nfs/dbraw/zinc/86/10/62/1122861062.db2.gz LKYNDOVEZOITPK-UHFFFAOYSA-N 0 3 280.371 3.513 20 30 CHEDHN C=C(CNCc1ccccc1OCC)c1ccccc1 ZINC000620756471 1129083881 /nfs/dbraw/zinc/08/38/81/1129083881.db2.gz BYTMYTRYRFSPFN-UHFFFAOYSA-N 0 3 267.372 3.888 20 30 CHEDHN C=CCN(CCc1c(F)cccc1Cl)[C@H](C)COC ZINC001196048788 1122904135 /nfs/dbraw/zinc/90/41/35/1122904135.db2.gz ZPXHMPFVFRIVKY-GFCCVEGCSA-N 0 3 285.790 3.545 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ncccc2C)c([O-])c1 ZINC000105356211 1123048935 /nfs/dbraw/zinc/04/89/35/1123048935.db2.gz NUQBBQFWAYRRSY-XDHOZWIPSA-N 0 3 297.402 3.561 20 30 CHEDHN C=CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000776155902 1123085997 /nfs/dbraw/zinc/08/59/97/1123085997.db2.gz JFERJZUYWZTDOY-RDTXWAMCSA-N 0 3 277.371 3.921 20 30 CHEDHN C=CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000776156938 1123087294 /nfs/dbraw/zinc/08/72/94/1123087294.db2.gz MVFNCAQRJCKUEJ-KDOFPFPSSA-N 0 3 277.371 3.921 20 30 CHEDHN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cnc1F ZINC000894964495 1123093509 /nfs/dbraw/zinc/09/35/09/1123093509.db2.gz SEILGGMGKRPZKV-QGZVFWFLSA-N 0 3 295.361 3.568 20 30 CHEDHN Cc1oc(C(C)(C)C)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000895010600 1123100329 /nfs/dbraw/zinc/10/03/29/1123100329.db2.gz SKNWMIUAVGKCIY-GXTWGEPZSA-N 0 3 260.381 3.667 20 30 CHEDHN Clc1ccc([C@@H]2CCCC2=Nn2cnnc2)cc1Cl ZINC000776177684 1123102340 /nfs/dbraw/zinc/10/23/40/1123102340.db2.gz SZRVKBCNAWTVPM-JTQLQIEISA-N 0 3 295.173 3.757 20 30 CHEDHN CC(C)CCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001201630642 1123129020 /nfs/dbraw/zinc/12/90/20/1123129020.db2.gz DIFLUQLBQDADJH-UHFFFAOYSA-N 0 3 274.383 3.729 20 30 CHEDHN CCCCCCCN(C)Cc1cnc2ccccn12 ZINC001201761951 1123148441 /nfs/dbraw/zinc/14/84/41/1123148441.db2.gz WUQCUFFJAXYISH-UHFFFAOYSA-N 0 3 259.397 3.737 20 30 CHEDHN CCCCCCCCN1CCN(Cc2cccnc2)CC1 ZINC001201804505 1123150411 /nfs/dbraw/zinc/15/04/11/1123150411.db2.gz MSBHHRYMJKSAHO-UHFFFAOYSA-N 0 3 289.467 3.560 20 30 CHEDHN CCCCCCCCCCN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001201853038 1123152151 /nfs/dbraw/zinc/15/21/51/1123152151.db2.gz YTRKJVHDCVNENW-RCCFBDPRSA-N 0 3 297.483 3.599 20 30 CHEDHN CCCCCCCCCCN(C)Cc1cnn(C)c1 ZINC001201852724 1123152448 /nfs/dbraw/zinc/15/24/48/1123152448.db2.gz IEGPNCQKTQTZFO-UHFFFAOYSA-N 0 3 265.445 3.993 20 30 CHEDHN C=CCCOCCNCc1c(Cl)cccc1CC ZINC000474000731 1123193012 /nfs/dbraw/zinc/19/30/12/1123193012.db2.gz KBLDWJBEJUBKBM-UHFFFAOYSA-N 0 3 267.800 3.585 20 30 CHEDHN CC(C)(C)C[C@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930225574 1123279206 /nfs/dbraw/zinc/27/92/06/1123279206.db2.gz COXNGIUBHOMIKV-CABCVRRESA-N 0 3 294.826 3.681 20 30 CHEDHN C=CCOCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000850531008 1123285245 /nfs/dbraw/zinc/28/52/45/1123285245.db2.gz GDHAKIREQJZOOD-GFCCVEGCSA-N 0 3 283.799 3.597 20 30 CHEDHN N#CC(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccccn1 ZINC000850757147 1123300612 /nfs/dbraw/zinc/30/06/12/1123300612.db2.gz WYTLGYJMNHFFCC-BZUAXINKSA-N 0 3 282.387 3.864 20 30 CHEDHN COc1cc(CN(C)[C@@H](C)c2ccc(F)cc2)ccc1C#N ZINC000442805116 1123339034 /nfs/dbraw/zinc/33/90/34/1123339034.db2.gz XXINFAIOYSTYFB-ZDUSSCGKSA-N 0 3 298.361 3.899 20 30 CHEDHN CC[C@H](C)Oc1cc(C)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442787267 1123339262 /nfs/dbraw/zinc/33/92/62/1123339262.db2.gz VKISLUYEFRRASD-ZOBUZTSGSA-N 0 3 286.419 3.954 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CCC(c3cccc(F)c3F)CC2)C1 ZINC000335666001 1123389739 /nfs/dbraw/zinc/38/97/39/1123389739.db2.gz NBOHUYSXZZWQOS-OCCSQVGLSA-N 0 3 290.357 3.836 20 30 CHEDHN C#CCN(Cc1cc(C)nc(Cl)c1)C1CCCCC1 ZINC000797590256 1123401171 /nfs/dbraw/zinc/40/11/71/1123401171.db2.gz QKURWNNAOYQGCP-UHFFFAOYSA-N 0 3 276.811 3.811 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)nc(Cl)c1 ZINC000852687389 1123412842 /nfs/dbraw/zinc/41/28/42/1123412842.db2.gz JZIHIPUEXNMSAQ-OKILXGFUSA-N 0 3 262.784 3.726 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000925126532 1123463694 /nfs/dbraw/zinc/46/36/94/1123463694.db2.gz BKGWBMVZHAVJAR-WBVHZDCISA-N 0 3 296.418 3.542 20 30 CHEDHN C#CC[C@H]1CCN(Cc2cc3ccnc(Cl)c3s2)C1 ZINC000895390704 1123474074 /nfs/dbraw/zinc/47/40/74/1123474074.db2.gz PPMVCWRGVDYSIH-NSHDSACASA-N 0 3 290.819 3.795 20 30 CHEDHN C#CC1(NCc2cc3c(ccnc3Cl)o2)CCCC1 ZINC000895677944 1123504559 /nfs/dbraw/zinc/50/45/59/1123504559.db2.gz VIFUBWRNUDONFJ-UHFFFAOYSA-N 0 3 274.751 3.517 20 30 CHEDHN CC(C)(C#N)CCN(Cc1ccc(F)cc1)C1CC1 ZINC000157456531 1129128592 /nfs/dbraw/zinc/12/85/92/1129128592.db2.gz IMUCRINBZQAXEK-UHFFFAOYSA-N 0 3 260.356 3.730 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C)cc2)c1 ZINC000113961452 1123550275 /nfs/dbraw/zinc/55/02/75/1123550275.db2.gz GMKDVRXTYYPZHB-SFHVURJKSA-N 0 3 294.398 3.966 20 30 CHEDHN C=CCC[C@H](N[C@H]1CC=C(C(=O)OCC)C1)c1ccco1 ZINC000858507642 1123659327 /nfs/dbraw/zinc/65/93/27/1123659327.db2.gz KIGLENFCKNFOIT-GJZGRUSLSA-N 0 3 289.375 3.528 20 30 CHEDHN C=C(CN[C@@H](c1cncc(F)c1)C1CC1)c1ccccc1 ZINC000281417086 1123708663 /nfs/dbraw/zinc/70/86/63/1123708663.db2.gz ZQGLSGQEWPOCRM-GOSISDBHSA-N 0 3 282.362 3.975 20 30 CHEDHN Cc1onc(-c2ccccc2)c1CN1CCC[C@@H](CC#N)C1 ZINC001141988230 1123796412 /nfs/dbraw/zinc/79/64/12/1123796412.db2.gz MUMTXGDAYDJKNK-HNNXBMFYSA-N 0 3 295.386 3.776 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2OC2CCC2)C1 ZINC000193001200 1123869196 /nfs/dbraw/zinc/86/91/96/1123869196.db2.gz XWJDHWJPZIGTGF-ZBFHGGJFSA-N 0 3 284.403 3.790 20 30 CHEDHN C=CCOCCN[C@H](CC)c1ccccc1OC(F)F ZINC000339070524 1123941401 /nfs/dbraw/zinc/94/14/01/1123941401.db2.gz OWLKWLOTFJRDIH-CYBMUJFWSA-N 0 3 285.334 3.531 20 30 CHEDHN C=CC(C)(C)CNCc1c(Cl)cncc1Cl ZINC000865589728 1123997322 /nfs/dbraw/zinc/99/73/22/1123997322.db2.gz RHWVUTAQUSIWPR-UHFFFAOYSA-N 0 3 259.180 3.690 20 30 CHEDHN CC[C@@H]1CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000223542331 1124039129 /nfs/dbraw/zinc/03/91/29/1124039129.db2.gz XHRMSFMQUBZJLL-CYBMUJFWSA-N 0 3 260.356 3.709 20 30 CHEDHN CC1(C)C[C@@H](NCC#Cc2ccccc2Cl)C(C)(C)O1 ZINC000444633711 1124047328 /nfs/dbraw/zinc/04/73/28/1124047328.db2.gz VEMCLLOCRYWGJN-OAHLLOKOSA-N 0 3 291.822 3.627 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866283684 1124047370 /nfs/dbraw/zinc/04/73/70/1124047370.db2.gz ZKBUVMMXZZXSDS-RKDXNWHRSA-N 0 3 250.729 3.706 20 30 CHEDHN C=CCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000428379975 1124069080 /nfs/dbraw/zinc/06/90/80/1124069080.db2.gz KNPQXUCOHLVTFE-UHFFFAOYSA-N 0 3 288.372 3.941 20 30 CHEDHN C=C(C)CN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445890396 1124106402 /nfs/dbraw/zinc/10/64/02/1124106402.db2.gz MZIYPRJWJLAMKC-CYBMUJFWSA-N 0 3 296.208 3.781 20 30 CHEDHN C=CCCC[C@@H](C)NCc1nc2cc(F)ccc2o1 ZINC000634974644 1129168601 /nfs/dbraw/zinc/16/86/01/1129168601.db2.gz HJSDSLZXJIBPCX-LLVKDONJSA-N 0 3 262.328 3.801 20 30 CHEDHN CC#CCN(CCC)Cc1ccc(OCCC)c(OC)c1 ZINC000525633640 1124451433 /nfs/dbraw/zinc/45/14/33/1124451433.db2.gz JJYSJTJKDDISBI-UHFFFAOYSA-N 0 3 289.419 3.719 20 30 CHEDHN N#Cc1c(F)cccc1CN1CCC[C@@H]1Cc1ccccc1 ZINC000428476836 1124457358 /nfs/dbraw/zinc/45/73/58/1124457358.db2.gz YMUVYJWQQUPWRY-QGZVFWFLSA-N 0 3 294.373 3.904 20 30 CHEDHN C#C[C@H]1CC[C@H](N[C@H](C)c2nc(C)sc2C)CC1 ZINC000872140393 1124696109 /nfs/dbraw/zinc/69/61/09/1124696109.db2.gz LWQYEBROEVBCKB-LERXQTSPSA-N 0 3 262.422 3.603 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](OC3CCC3)CC2)s1 ZINC000872262222 1124701943 /nfs/dbraw/zinc/70/19/43/1124701943.db2.gz UNLXRUVNVXYZNU-AWEZNQCLSA-N 0 3 290.432 3.543 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2cc(C3CC3)ccc2F)C1 ZINC000449373517 1124704517 /nfs/dbraw/zinc/70/45/17/1124704517.db2.gz RMYHFYCWXFWUHK-MLGOLLRUSA-N 0 3 272.367 3.875 20 30 CHEDHN CCOc1cccc(F)c1CNCC(C)(C)CCC#N ZINC000873126376 1124739445 /nfs/dbraw/zinc/73/94/45/1124739445.db2.gz GJWSKURSRDDCRR-UHFFFAOYSA-N 0 3 278.371 3.644 20 30 CHEDHN C=CC(C)(C)CNCc1coc(-c2ccccc2)n1 ZINC000449485908 1124765599 /nfs/dbraw/zinc/76/55/99/1124765599.db2.gz PALIXKMGGUQCCA-UHFFFAOYSA-N 0 3 256.349 3.643 20 30 CHEDHN CC(C)CC1(C(=O)C(C#N)c2ncc(F)cc2F)CCC1 ZINC001123381376 1131312997 /nfs/dbraw/zinc/31/29/97/1131312997.db2.gz HYNXBDLRMXQDFB-LBPRGKRZSA-N 0 3 292.329 3.752 20 30 CHEDHN CC[C@@H]1CCCC[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001123381617 1131313413 /nfs/dbraw/zinc/31/34/13/1131313413.db2.gz KIRZNLLGUGXNBY-WXHSDQCUSA-N 0 3 292.329 3.752 20 30 CHEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3ccc(C#N)o3)C2)c1 ZINC000449752562 1124861471 /nfs/dbraw/zinc/86/14/71/1124861471.db2.gz CXLBYEAKCYGYIT-SHTZXODSSA-N 0 3 296.370 3.538 20 30 CHEDHN CC1CCC(C)(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123478132 1131315643 /nfs/dbraw/zinc/31/56/43/1131315643.db2.gz ZKYAZBZOCKPVET-YWFMTQBDSA-N 0 3 292.329 3.752 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000450248047 1124960292 /nfs/dbraw/zinc/96/02/92/1124960292.db2.gz VTQYKTCBZADTCB-UHFFFAOYSA-N 0 3 281.783 3.525 20 30 CHEDHN CC(C)(CC#N)CNCc1cc2c(ccnc2Cl)o1 ZINC000877583636 1125047864 /nfs/dbraw/zinc/04/78/64/1125047864.db2.gz KGBNSHGHOQMIAS-UHFFFAOYSA-N 0 3 277.755 3.511 20 30 CHEDHN C#CCCCCCCN(C)Cc1c(C)nn(CC)c1C ZINC000877664056 1125061654 /nfs/dbraw/zinc/06/16/54/1125061654.db2.gz KZXNQFVHCGGUQP-UHFFFAOYSA-N 0 3 275.440 3.535 20 30 CHEDHN COc1ccc(Nc2ccnc(C3CCC3)c2)c(C#N)c1 ZINC001212781835 1125096298 /nfs/dbraw/zinc/09/62/98/1125096298.db2.gz MZKVQJIMCHIYOI-UHFFFAOYSA-N 0 3 279.343 3.973 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1C[C@@H](C)CC[C@H]1C)c1ccccc1 ZINC000878154570 1125126220 /nfs/dbraw/zinc/12/62/20/1125126220.db2.gz ZDAZNUQIIIWSFI-FRQCXROJSA-N 0 3 298.430 3.547 20 30 CHEDHN CC1(C#N)CCN(C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878389719 1125147889 /nfs/dbraw/zinc/14/78/89/1125147889.db2.gz RBSIUZCWXPFTES-ZWKOTPCHSA-N 0 3 298.430 3.922 20 30 CHEDHN C#CCCCCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000879009877 1125191813 /nfs/dbraw/zinc/19/18/13/1125191813.db2.gz JQHHCRYOVPFVGA-INIZCTEOSA-N 0 3 256.393 3.658 20 30 CHEDHN C[C@H]1c2sccc2CCN1Cc1ccc(OCC#N)cc1 ZINC000880377633 1125270196 /nfs/dbraw/zinc/27/01/96/1125270196.db2.gz BFMUAADCHSTKHC-ZDUSSCGKSA-N 0 3 298.411 3.770 20 30 CHEDHN C=CCCC[C@H](NCc1c(C)nnn1CC)c1ccccc1 ZINC000880389878 1125271632 /nfs/dbraw/zinc/27/16/32/1125271632.db2.gz KCUCZCICVARABQ-KRWDZBQOSA-N 0 3 298.434 3.794 20 30 CHEDHN Cc1cc(C)c(CNCC#Cc2ccccc2)c(C)c1 ZINC000736355512 1129372879 /nfs/dbraw/zinc/37/28/79/1129372879.db2.gz PPXBYDCGDWOMDI-UHFFFAOYSA-N 0 3 263.384 3.753 20 30 CHEDHN N#Cc1ccc(CNCc2ccccc2C2CC2)cc1 ZINC000094357713 1129444563 /nfs/dbraw/zinc/44/45/63/1129444563.db2.gz YENWRYGTLSNJAW-UHFFFAOYSA-N 0 3 262.356 3.725 20 30 CHEDHN CC(C)C[C@@H](Cc1ccccc1)NCc1ncc(C#N)s1 ZINC001169058905 1129693607 /nfs/dbraw/zinc/69/36/07/1129693607.db2.gz ABKYYASYOIBXGJ-HNNXBMFYSA-N 0 3 299.443 3.762 20 30 CHEDHN C#CCCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000766920825 1129769832 /nfs/dbraw/zinc/76/98/32/1129769832.db2.gz GSRYGPLCXABOCL-OAHLLOKOSA-N 0 3 268.360 3.768 20 30 CHEDHN CC[C@@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCCO1 ZINC000653875587 1129799347 /nfs/dbraw/zinc/79/93/47/1129799347.db2.gz WVKOCYCBVUKGRV-SJORKVTESA-N 0 3 291.822 3.629 20 30 CHEDHN C=C[C@H]1CCCCN1C[C@@H](OC)c1ccc(F)cc1 ZINC001460041098 1129831647 /nfs/dbraw/zinc/83/16/47/1129831647.db2.gz HJCYDTJWHQFVKK-JKSUJKDBSA-N 0 3 263.356 3.554 20 30 CHEDHN C#C[C@@H](CC)NCc1ccc(Br)cc1SC ZINC000381414471 1129838741 /nfs/dbraw/zinc/83/87/41/1129838741.db2.gz VQIPXVFYSQAZHD-LBPRGKRZSA-N 0 3 298.249 3.672 20 30 CHEDHN C=CCCCN[C@H](C)c1nc(Br)ccc1F ZINC000381654048 1129843420 /nfs/dbraw/zinc/84/34/20/1129843420.db2.gz DUXYQCMOONUHKM-SECBINFHSA-N 0 3 287.176 3.600 20 30 CHEDHN C=C(Cl)CN(CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000800466902 1129875235 /nfs/dbraw/zinc/87/52/35/1129875235.db2.gz JLTRFQBKJRCXLP-CQSZACIVSA-N 0 3 294.826 3.868 20 30 CHEDHN CCC[C@@H]1CCCCN1Cc1ccc(OC)cc1C#N ZINC001137703107 1131404293 /nfs/dbraw/zinc/40/42/93/1131404293.db2.gz DPYKHBDHGNJCGH-MRXNPFEDSA-N 0 3 272.392 3.721 20 30 CHEDHN C#CCN(Cc1ccc(OC(F)F)c(F)c1)C1CCCC1 ZINC000769531956 1129915970 /nfs/dbraw/zinc/91/59/70/1129915970.db2.gz ZSUIUPLFXOCYAK-UHFFFAOYSA-N 0 3 297.320 3.805 20 30 CHEDHN C#CCCN[C@H](CC(F)(F)F)c1ccccc1C ZINC000769988827 1129934441 /nfs/dbraw/zinc/93/44/41/1129934441.db2.gz FUBPTFMMOQYUTP-CYBMUJFWSA-N 0 3 255.283 3.601 20 30 CHEDHN CC(C)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000770349060 1129945725 /nfs/dbraw/zinc/94/57/25/1129945725.db2.gz DOSVRIASQOBLEH-UHFFFAOYSA-N 0 3 262.422 3.878 20 30 CHEDHN CCc1ccc([C@H]2CCCCCN2CCO[C@@H](C)C#N)o1 ZINC000801922910 1129959398 /nfs/dbraw/zinc/95/93/98/1129959398.db2.gz SNTQSYSQSJAQEN-GOEBONIOSA-N 0 3 290.407 3.688 20 30 CHEDHN C=CCC[C@@H](NCc1nccs1)[C@@]1(C)CCCCO1 ZINC000902758048 1130053145 /nfs/dbraw/zinc/05/31/45/1130053145.db2.gz CCQYPJXWHDCFAO-UKRRQHHQSA-N 0 3 280.437 3.527 20 30 CHEDHN C[C@H](NCCc1ccc(Cl)s1)c1cc(C#N)ccn1 ZINC000902773358 1130055282 /nfs/dbraw/zinc/05/52/82/1130055282.db2.gz RAAQWKANNCUHGE-JTQLQIEISA-N 0 3 291.807 3.561 20 30 CHEDHN CC[C@H](N[C@@H]1CCc2c1cccc2O)c1cccc(C#N)c1 ZINC000902794720 1130059202 /nfs/dbraw/zinc/05/92/02/1130059202.db2.gz YLAMEEQVOOYQMH-ZWKOTPCHSA-N 0 3 292.382 3.992 20 30 CHEDHN CC[C@H](NCc1cncc(C)c1)c1cccc(C#N)c1 ZINC000902890008 1130079313 /nfs/dbraw/zinc/07/93/13/1130079313.db2.gz VKWMJPLYOVJWIT-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN CC[C@@H](NCc1ccnc(C)c1)c1cccc(C#N)c1 ZINC000903004552 1130099235 /nfs/dbraw/zinc/09/92/35/1130099235.db2.gz DZWKFLJXXTZZRA-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN CC[C@H](NCc1cnc(C)cc1C)c1cccc(C#N)c1 ZINC000903014079 1130101149 /nfs/dbraw/zinc/10/11/49/1130101149.db2.gz NAJSMCVHRMXGOP-SFHVURJKSA-N 0 3 279.387 3.811 20 30 CHEDHN CC(C)[C@@H](COCc1ccccc1)NCC1(C#N)CCC1 ZINC000903030932 1130102122 /nfs/dbraw/zinc/10/21/22/1130102122.db2.gz AEWFINFSFBZWFX-QGZVFWFLSA-N 0 3 286.419 3.511 20 30 CHEDHN CC[C@H](N[C@H](c1ccccc1)[C@@H](C)O)c1cccc(C#N)c1 ZINC000903058353 1130106770 /nfs/dbraw/zinc/10/67/70/1130106770.db2.gz GFWYEVWSILPTSL-CCKFTAQKSA-N 0 3 294.398 3.721 20 30 CHEDHN CCCCCCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000750149060 1130138032 /nfs/dbraw/zinc/13/80/32/1130138032.db2.gz PXKSZXJRNNQEDN-UHFFFAOYSA-N 0 3 291.361 3.841 20 30 CHEDHN C[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)C(C)(C)C1 ZINC000746677812 1130149080 /nfs/dbraw/zinc/14/90/80/1130149080.db2.gz FKZFGYPKUMVGDK-GFCCVEGCSA-N 0 3 292.810 3.863 20 30 CHEDHN C#CC(C)(C)N(C)Cc1ccccc1C(F)(F)F ZINC000787997220 1130168431 /nfs/dbraw/zinc/16/84/31/1130168431.db2.gz IRCXZMOPDRWDPR-UHFFFAOYSA-N 0 3 255.283 3.549 20 30 CHEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc(F)ccc1OC ZINC000903370811 1130167171 /nfs/dbraw/zinc/16/71/71/1130167171.db2.gz KOQOWYBTKNXJED-KYOSRNDESA-N 0 3 276.355 3.567 20 30 CHEDHN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cccc(C#N)c1 ZINC000903428399 1130175909 /nfs/dbraw/zinc/17/59/09/1130175909.db2.gz OGWKFEJHODRVGO-ACJLOTCBSA-N 0 3 277.371 3.755 20 30 CHEDHN COc1ccc(CNCc2ccccc2C2CC2)cc1C#N ZINC000746742954 1130182773 /nfs/dbraw/zinc/18/27/73/1130182773.db2.gz UVFJPSKJZDZSJI-UHFFFAOYSA-N 0 3 292.382 3.734 20 30 CHEDHN CCCCCCC[C@H](C)N[C@H]1C[C@H](C)n2ncnc21 ZINC000826888768 1130307575 /nfs/dbraw/zinc/30/75/75/1130307575.db2.gz KQLKUPTXNVJLKM-IHRRRGAJSA-N 0 3 264.417 3.623 20 30 CHEDHN CCN(CC#CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000677818955 1130334343 /nfs/dbraw/zinc/33/43/43/1130334343.db2.gz ZAXKGCUNVVWOPK-CYBMUJFWSA-N 0 3 299.336 3.738 20 30 CHEDHN N#Cc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000790950699 1130340221 /nfs/dbraw/zinc/34/02/21/1130340221.db2.gz XRJWIYIBRKMLRX-UHFFFAOYSA-N 0 3 292.382 3.637 20 30 CHEDHN N#CC(C(=O)C=Cc1ccco1)c1nccc2ccccc21 ZINC000792098890 1130428983 /nfs/dbraw/zinc/42/89/83/1130428983.db2.gz FONINPIOPRDPQI-XITLMJRVSA-N 0 3 288.306 3.717 20 30 CHEDHN N#CC(C(=O)CCc1ccoc1)c1nccc2ccccc21 ZINC000792095034 1130431519 /nfs/dbraw/zinc/43/15/19/1130431519.db2.gz SPWFCXODFPNJEX-INIZCTEOSA-N 0 3 290.322 3.637 20 30 CHEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000678741610 1130448159 /nfs/dbraw/zinc/44/81/59/1130448159.db2.gz DABQHISLSDPGIE-VXGBXAGGSA-N 0 3 267.319 3.741 20 30 CHEDHN C=CCOCCN[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000679576258 1130540999 /nfs/dbraw/zinc/54/09/99/1130540999.db2.gz LECGHNATWSQZQY-NSHDSACASA-N 0 3 279.767 3.939 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)C[C@@]1(C)CC1(Cl)Cl ZINC000827322893 1130555956 /nfs/dbraw/zinc/55/59/56/1130555956.db2.gz BKNHHBQKTGIGNB-CYBMUJFWSA-N 0 3 283.202 3.574 20 30 CHEDHN C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1nnc(CC)[n-]1 ZINC000793548755 1130568721 /nfs/dbraw/zinc/56/87/21/1130568721.db2.gz VERPDHJANIKVDR-STQMWFEESA-N 0 3 264.417 3.543 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1nccn1C(F)F ZINC000793530005 1130571893 /nfs/dbraw/zinc/57/18/93/1130571893.db2.gz VQIPKDHCBOMDLJ-GFCCVEGCSA-N 0 3 271.355 3.893 20 30 CHEDHN C=CC[C@@H](Oc1c(F)cc(CN(C)C)cc1OC)C(C)C ZINC001234241818 1130622784 /nfs/dbraw/zinc/62/27/84/1130622784.db2.gz WDXYKWJONCECIE-OAHLLOKOSA-N 0 3 295.398 3.875 20 30 CHEDHN CN1CCc2c(cccc2O[C@@H](CC#N)c2ccccc2)C1 ZINC001234422734 1130642247 /nfs/dbraw/zinc/64/22/47/1130642247.db2.gz IYBOSMBMJUSMMN-SFHVURJKSA-N 0 3 292.382 3.708 20 30 CHEDHN C=C[C@H](Oc1cccc2c1CCN(C)C2)c1ccccc1 ZINC001234425166 1130643464 /nfs/dbraw/zinc/64/34/64/1130643464.db2.gz VTMIAAZJNMJOJW-SFHVURJKSA-N 0 3 279.383 3.981 20 30 CHEDHN C#C[C@@H](N[C@@H](C)Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000812793178 1130716917 /nfs/dbraw/zinc/71/69/17/1130716917.db2.gz NSOOGZYIQJYRCZ-IFXJQAMLSA-N 0 3 297.373 3.729 20 30 CHEDHN C#C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1ccc(F)cc1 ZINC000812794263 1130717378 /nfs/dbraw/zinc/71/73/78/1130717378.db2.gz XGALHMKCSBPPDN-IXDOHACOSA-N 0 3 257.352 3.668 20 30 CHEDHN C#C[C@H](N[C@H]1CC[C@H]1C1CCC1)c1ccc(F)cc1 ZINC000812794264 1130717609 /nfs/dbraw/zinc/71/76/09/1130717609.db2.gz XGALHMKCSBPPDN-ULQDDVLXSA-N 0 3 257.352 3.668 20 30 CHEDHN C#C[C@H](NC[C@H]1C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000812793843 1130718160 /nfs/dbraw/zinc/71/81/60/1130718160.db2.gz HIPPLZAZAPHOGS-NEWSRXKRSA-N 0 3 279.358 3.893 20 30 CHEDHN C#C[C@H](N[C@@H](C)Cc1ccccc1OC)c1ccc(F)cc1 ZINC000812793839 1130718759 /nfs/dbraw/zinc/71/87/59/1130718759.db2.gz HFBWLWQUBGQNQQ-KSSFIOAISA-N 0 3 297.373 3.729 20 30 CHEDHN C=CCN(Cc1cc(F)c(F)c(OC)c1)C(C)(C)C ZINC001235436130 1130743618 /nfs/dbraw/zinc/74/36/18/1130743618.db2.gz CRMZMMKXRHNZGM-UHFFFAOYSA-N 0 3 269.335 3.760 20 30 CHEDHN N#CCc1ccccc1CN1CC[C@@H]1c1ccccc1 ZINC001235527020 1130753056 /nfs/dbraw/zinc/75/30/56/1130753056.db2.gz FXZJFIWXPSFADA-GOSISDBHSA-N 0 3 262.356 3.700 20 30 CHEDHN N#CCCC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000814304561 1130863286 /nfs/dbraw/zinc/86/32/86/1130863286.db2.gz NVRYJDGGXDAXDP-QGZVFWFLSA-N 0 3 280.371 3.917 20 30 CHEDHN CCC(=NN[C@H](C)c1ccccc1)c1cccc(N)c1 ZINC000814814795 1130915985 /nfs/dbraw/zinc/91/59/85/1130915985.db2.gz AHTDXCJWHCAJOZ-CYBMUJFWSA-N 0 3 267.376 3.734 20 30 CHEDHN C=CCC[C@H](NCCNc1ccccc1)c1ccco1 ZINC000796791418 1130933069 /nfs/dbraw/zinc/93/30/69/1130933069.db2.gz AWZGOWRYJSLKDK-INIZCTEOSA-N 0 3 270.376 3.989 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)c1cccc(C)c1)c1ccco1 ZINC000796835069 1130937035 /nfs/dbraw/zinc/93/70/35/1130937035.db2.gz KAYBBXRODONQTG-DLBZAZTESA-N 0 3 285.387 3.919 20 30 CHEDHN C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000797005493 1130952320 /nfs/dbraw/zinc/95/23/20/1130952320.db2.gz BYIPMTWGMFNKTD-CQSZACIVSA-N 0 3 283.371 3.808 20 30 CHEDHN CC(C)(C)Oc1cccc(CN2CCC[C@H](C#N)CC2)c1 ZINC001237101540 1131049049 /nfs/dbraw/zinc/04/90/49/1131049049.db2.gz DHZATOVSTPWNOF-HNNXBMFYSA-N 0 3 286.419 3.990 20 30 CHEDHN COc1cc(CN2CCC(CC#N)CC2)ccc1C(F)F ZINC001237272362 1131074700 /nfs/dbraw/zinc/07/47/00/1131074700.db2.gz FEYVMBLWIYQVFH-UHFFFAOYSA-N 0 3 294.345 3.758 20 30 CHEDHN N#CCC1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237640811 1131123956 /nfs/dbraw/zinc/12/39/56/1131123956.db2.gz FUUOMGJERAQCCW-UHFFFAOYSA-N 0 3 296.345 3.544 20 30 CHEDHN CCc1[nH]ncc1CN(CCC#N)C1CCCCCCC1 ZINC001237653118 1131125296 /nfs/dbraw/zinc/12/52/96/1131125296.db2.gz CRZGKSQFUHLEGF-UHFFFAOYSA-N 0 3 288.439 3.801 20 30 CHEDHN Cc1cc(C)c(Cl)c(CN2CCC(S)CC2)c1 ZINC001237701578 1131129307 /nfs/dbraw/zinc/12/93/07/1131129307.db2.gz LOIMAAJGJYEHML-UHFFFAOYSA-N 0 3 269.841 3.851 20 30 CHEDHN CCCN(CCC#N)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237882649 1131148514 /nfs/dbraw/zinc/14/85/14/1131148514.db2.gz RQYVZCPTCOSXQD-UHFFFAOYSA-N 0 3 297.446 3.813 20 30 CHEDHN C=CCN(C)Cc1cc(C)c(Br)cc1C ZINC001238281080 1131188220 /nfs/dbraw/zinc/18/82/20/1131188220.db2.gz GYGVWKSEBSYHJO-UHFFFAOYSA-N 0 3 268.198 3.684 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)c(C)c2)C1 ZINC001238614603 1131222189 /nfs/dbraw/zinc/22/21/89/1131222189.db2.gz JQURWWLGRZBKCF-QGZVFWFLSA-N 0 3 290.410 3.902 20 30 CHEDHN C#C[C@@H](C)N(C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000829283546 1131416596 /nfs/dbraw/zinc/41/65/96/1131416596.db2.gz RPVRDXQIIOOLQN-VXGBXAGGSA-N 0 3 269.310 3.806 20 30 CHEDHN CCCCCCCC[C@H](C)CC(=O)N[C@H]1CCCN(C)C1 ZINC001136709801 1131424174 /nfs/dbraw/zinc/42/41/74/1131424174.db2.gz YJJAWRUPXJBICH-IRXDYDNUSA-N 0 3 296.499 3.974 20 30 CHEDHN C=C(Br)CNC[C@@H](C)c1cc(F)cc(F)c1 ZINC000823818582 1131442696 /nfs/dbraw/zinc/44/26/96/1131442696.db2.gz ITYQPXZSTOGACD-MRVPVSSYSA-N 0 3 290.151 3.567 20 30 CHEDHN N#Cc1cccc2c1CC[C@H]2Nc1c[nH]cc2ccnc1-2 ZINC001171062568 1131478844 /nfs/dbraw/zinc/47/88/44/1131478844.db2.gz ISXHNZCTKQGGKE-OAHLLOKOSA-N 0 3 274.327 3.534 20 30 CHEDHN N#Cc1cccc2c1CC[C@H]2Nc1cncc2cc[nH]c21 ZINC001171062568 1131478846 /nfs/dbraw/zinc/47/88/46/1131478846.db2.gz ISXHNZCTKQGGKE-OAHLLOKOSA-N 0 3 274.327 3.534 20 30 CHEDHN N#CC1(CN[C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171066347 1131484353 /nfs/dbraw/zinc/48/43/53/1131484353.db2.gz MFQLYUWWRMOFIY-LBPRGKRZSA-N 0 3 295.213 3.744 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc2nccnc12 ZINC001138306373 1131488029 /nfs/dbraw/zinc/48/80/29/1131488029.db2.gz PVZYLQYPYMHBPI-UHFFFAOYSA-N 0 3 289.382 3.818 20 30 CHEDHN Cc1c2cc(F)ccc2[nH]c1CN1CCC(S)CC1 ZINC001138412755 1131500307 /nfs/dbraw/zinc/50/03/07/1131500307.db2.gz JNJFAPKWCBXVAJ-UHFFFAOYSA-N 0 3 278.396 3.510 20 30 CHEDHN C#CCOc1ccc(CN(CC)Cc2cccc(F)c2)cc1 ZINC001138560238 1131521287 /nfs/dbraw/zinc/52/12/87/1131521287.db2.gz NEWKNLZHJNRMDB-UHFFFAOYSA-N 0 3 297.373 3.860 20 30 CHEDHN C#CCOc1ccc(CN2CCc3c(C)cccc3C2)cc1 ZINC001138556437 1131521629 /nfs/dbraw/zinc/52/16/29/1131521629.db2.gz VSRDDVRTMMOGCL-UHFFFAOYSA-N 0 3 291.394 3.565 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)Cc2ccsc2)c1[O-] ZINC001138627622 1131528530 /nfs/dbraw/zinc/52/85/30/1131528530.db2.gz CLPMXTLMGMYTSK-UHFFFAOYSA-N 0 3 273.401 3.814 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccsc2)c1[O-] ZINC001138627622 1131528531 /nfs/dbraw/zinc/52/85/31/1131528531.db2.gz CLPMXTLMGMYTSK-UHFFFAOYSA-N 0 3 273.401 3.814 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c1[O-] ZINC001138625632 1131528670 /nfs/dbraw/zinc/52/86/70/1131528670.db2.gz QZBZJBLRUGJNRK-ZDUSSCGKSA-N 0 3 295.373 3.988 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c1[O-] ZINC001138625632 1131528673 /nfs/dbraw/zinc/52/86/73/1131528673.db2.gz QZBZJBLRUGJNRK-ZDUSSCGKSA-N 0 3 295.373 3.988 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1[O-] ZINC001138629004 1131529028 /nfs/dbraw/zinc/52/90/28/1131529028.db2.gz KMTANVFIJDOCIZ-CQSZACIVSA-N 0 3 299.336 3.895 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1[O-] ZINC001138629004 1131529031 /nfs/dbraw/zinc/52/90/31/1131529031.db2.gz KMTANVFIJDOCIZ-CQSZACIVSA-N 0 3 299.336 3.895 20 30 CHEDHN C=CCc1cccc(CN2CCc3c(F)cccc3C2)c1O ZINC001138629568 1131529137 /nfs/dbraw/zinc/52/91/37/1131529137.db2.gz DLMLDCLWIIEMPN-UHFFFAOYSA-N 0 3 297.373 3.818 20 30 CHEDHN C=CCc1cccc(C[NH+]2CCC(OCCC)CC2)c1[O-] ZINC001138628631 1131529471 /nfs/dbraw/zinc/52/94/71/1131529471.db2.gz ACAZTGYWXYENJV-UHFFFAOYSA-N 0 3 289.419 3.512 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1[O-] ZINC001138628775 1131529913 /nfs/dbraw/zinc/52/99/13/1131529913.db2.gz DONFSVMFAJSWFR-QGZVFWFLSA-N 0 3 294.398 3.505 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1[O-] ZINC001138628775 1131529918 /nfs/dbraw/zinc/52/99/18/1131529918.db2.gz DONFSVMFAJSWFR-QGZVFWFLSA-N 0 3 294.398 3.505 20 30 CHEDHN C=C(C)COc1ccccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001138664724 1131534412 /nfs/dbraw/zinc/53/44/12/1131534412.db2.gz WASRORBNKZACAA-HRCADAONSA-N 0 3 275.367 3.574 20 30 CHEDHN CC[C@H](c1ccccc1)N(C)Cc1ccc(C#N)cn1 ZINC001144163900 1131591695 /nfs/dbraw/zinc/59/16/95/1131591695.db2.gz ZJKQVQODKYYFEV-QGZVFWFLSA-N 0 3 265.360 3.536 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144246167 1131605262 /nfs/dbraw/zinc/60/52/62/1131605262.db2.gz WGYZENICNMPQRA-UHFFFAOYSA-N 0 3 279.387 3.603 20 30 CHEDHN N#CCC1CCN(Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001139504152 1131611346 /nfs/dbraw/zinc/61/13/46/1131611346.db2.gz PIIMYNPPJXTTQN-UHFFFAOYSA-N 0 3 297.427 3.936 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139504263 1131611575 /nfs/dbraw/zinc/61/15/75/1131611575.db2.gz RDMKCQPEAKADCU-AWEZNQCLSA-N 0 3 282.412 3.655 20 30 CHEDHN CCCCCCCN(CC)Cc1cnccc1OC ZINC001139608910 1131621528 /nfs/dbraw/zinc/62/15/28/1131621528.db2.gz SUKRUDFDBRABFK-UHFFFAOYSA-N 0 3 264.413 3.883 20 30 CHEDHN CN(Cc1cccc(Cl)c1C#N)C1CCCCC1 ZINC001139689196 1131628787 /nfs/dbraw/zinc/62/87/87/1131628787.db2.gz FIJGGJKRMWKQNB-UHFFFAOYSA-N 0 3 262.784 3.976 20 30 CHEDHN N#Cc1cccc2c(CN3CCC4(CC(F)C4)CC3)c[nH]c21 ZINC001139704730 1131630128 /nfs/dbraw/zinc/63/01/28/1131630128.db2.gz XMQWPBLKCBOJBH-UHFFFAOYSA-N 0 3 297.377 3.754 20 30 CHEDHN N#Cc1cccc2c(CN3CC4(C3)CCCCC4)c[nH]c21 ZINC001139704703 1131630335 /nfs/dbraw/zinc/63/03/35/1131630335.db2.gz BFDBLNQLXYBURP-UHFFFAOYSA-N 0 3 279.387 3.806 20 30 CHEDHN Cc1ccc(C(F)(F)F)cc1CN1CCC(S)CC1 ZINC001139886615 1131646623 /nfs/dbraw/zinc/64/66/23/1131646623.db2.gz GTKKPHWFWKDSML-UHFFFAOYSA-N 0 3 289.366 3.908 20 30 CHEDHN CCCCCCCCN(C)Cc1ccnc(SC)n1 ZINC001140038189 1131658426 /nfs/dbraw/zinc/65/84/26/1131658426.db2.gz PZRUVKJNRPTNAL-UHFFFAOYSA-N 0 3 281.469 3.991 20 30 CHEDHN C#Cc1ccc(CN(CC=C)Cc2ccccc2)cc1 ZINC001144576308 1131662240 /nfs/dbraw/zinc/66/22/40/1131662240.db2.gz IXQCABKJDLTHBH-UHFFFAOYSA-N 0 3 261.368 3.856 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@H]4CCC[C@H]43)c2c1 ZINC001140114876 1131665615 /nfs/dbraw/zinc/66/56/15/1131665615.db2.gz DNOLAUSBEMJGSU-RDTXWAMCSA-N 0 3 279.387 3.804 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cccc(-c3nccs3)c2)C1 ZINC001140337294 1131702661 /nfs/dbraw/zinc/70/26/61/1131702661.db2.gz JLEAZUCFJUTMGY-CQSZACIVSA-N 0 3 282.412 3.655 20 30 CHEDHN C=CCCCCCCCCN[C@@H]1CCn2ccnc21 ZINC000834803716 1131706915 /nfs/dbraw/zinc/70/69/15/1131706915.db2.gz XLBAKCOYZJDWNC-OAHLLOKOSA-N 0 3 261.413 3.834 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140446901 1131740565 /nfs/dbraw/zinc/74/05/65/1131740565.db2.gz PMGMQKFVYIOHIP-GFCCVEGCSA-N 0 3 272.779 3.667 20 30 CHEDHN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3o2)CC=CCC1 ZINC000835076340 1131768797 /nfs/dbraw/zinc/76/87/97/1131768797.db2.gz HQQMJCFJRWUHKV-SJKOYZFVSA-N 0 3 280.327 3.750 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cc(Cl)cc3cccnc32)C1 ZINC000847024791 1131771877 /nfs/dbraw/zinc/77/18/77/1131771877.db2.gz SOVFCGUTMCFFMB-ZDUSSCGKSA-N 0 3 284.790 3.733 20 30 CHEDHN Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)nc2)c1 ZINC001140540626 1131784743 /nfs/dbraw/zinc/78/47/43/1131784743.db2.gz FEYMHUBTJXSEBE-GOSISDBHSA-N 0 3 277.371 3.599 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC001140545637 1131787472 /nfs/dbraw/zinc/78/74/72/1131787472.db2.gz HSBKLZBEXKOQPI-OAHLLOKOSA-N 0 3 297.789 3.596 20 30 CHEDHN CN(Cc1cc(C#N)ccc1Cl)C1CCCCC1 ZINC001140599855 1131822055 /nfs/dbraw/zinc/82/20/55/1131822055.db2.gz UJNAFUOJBCDQNO-UHFFFAOYSA-N 0 3 262.784 3.976 20 30 CHEDHN CN(Cc1cc(C#N)ccc1Cl)C[C@H]1CC1(C)C ZINC001140602165 1131822809 /nfs/dbraw/zinc/82/28/09/1131822809.db2.gz FPORYVJKFFHQTE-CYBMUJFWSA-N 0 3 262.784 3.690 20 30 CHEDHN COC(C)(C)[C@@H]1CCCN1Cc1cc(C#N)ccc1Cl ZINC001140601579 1131823910 /nfs/dbraw/zinc/82/39/10/1131823910.db2.gz UITWNPYIUZCBBU-HNNXBMFYSA-N 0 3 292.810 3.601 20 30 CHEDHN CC1(C)C[C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccc(F)cc2O1 ZINC000348186107 1131902561 /nfs/dbraw/zinc/90/25/61/1131902561.db2.gz LVBYCEMMUBUTEU-KYOSRNDESA-N 0 3 288.366 3.710 20 30 CHEDHN CC1(C)C[C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccc(F)cc2O1 ZINC000348186110 1131902968 /nfs/dbraw/zinc/90/29/68/1131902968.db2.gz LVBYCEMMUBUTEU-ZLDLUXBVSA-N 0 3 288.366 3.710 20 30 CHEDHN CN1CCC[C@H](Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228565287 1131910205 /nfs/dbraw/zinc/91/02/05/1131910205.db2.gz RIYGPALHJRGEOZ-SFHVURJKSA-N 0 3 294.398 3.910 20 30 CHEDHN CCCCN(CC)Cc1cccc(C#N)c1Cl ZINC001140806541 1131927927 /nfs/dbraw/zinc/92/79/27/1131927927.db2.gz MQKCGFFZFPEHQE-UHFFFAOYSA-N 0 3 250.773 3.834 20 30 CHEDHN C[C@H]1CCCCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140808631 1131932629 /nfs/dbraw/zinc/93/26/29/1131932629.db2.gz XKEKQLYBXXQTCJ-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccc(-c3ccccn3)s2)C1 ZINC001141000372 1131981209 /nfs/dbraw/zinc/98/12/09/1131981209.db2.gz BRNWJDHWZRBBTR-CQSZACIVSA-N 0 3 297.427 3.936 20 30 CHEDHN N#C[C@H]1CCCN(Cc2ccc(-c3ccccn3)s2)CC1 ZINC001141001889 1131981916 /nfs/dbraw/zinc/98/19/16/1131981916.db2.gz FXJPOKXCEQJNPO-AWEZNQCLSA-N 0 3 297.427 3.936 20 30 CHEDHN CCC(CC)N(CC)Cc1sc(N)c(C#N)c1Cl ZINC001141114941 1132021745 /nfs/dbraw/zinc/02/17/45/1132021745.db2.gz ZRPKKBXKOFQVAW-UHFFFAOYSA-N 0 3 285.844 3.866 20 30 CHEDHN C[C@H](NCc1cccc(F)c1)c1ccc(OCC#N)cc1 ZINC000037246766 1132023720 /nfs/dbraw/zinc/02/37/20/1132023720.db2.gz CMINWQAPROTPRB-ZDUSSCGKSA-N 0 3 284.334 3.579 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2c(Cl)cccc2OCC)C1 ZINC001171488988 1132037089 /nfs/dbraw/zinc/03/70/89/1132037089.db2.gz BVNBFDXFUQIUDL-CQSZACIVSA-N 0 3 291.822 3.974 20 30 CHEDHN C=CC[C@@H](Oc1ccc(C(=O)CCN(C)C)cc1)C(C)C ZINC001229302201 1132050130 /nfs/dbraw/zinc/05/01/30/1132050130.db2.gz GRCZAHOWNGTFIZ-GOSISDBHSA-N 0 3 289.419 3.801 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cccnc1 ZINC001204075109 1132107065 /nfs/dbraw/zinc/10/70/65/1132107065.db2.gz BBUOQMZIUOQVAA-UHFFFAOYSA-N 0 3 252.361 3.660 20 30 CHEDHN Cc1cc([C@H]2CCCN2[C@@H](C)Cc2ccc(C#N)cc2)no1 ZINC001172307595 1132154033 /nfs/dbraw/zinc/15/40/33/1132154033.db2.gz GQHPKUPTYJSHCR-SCLBCKFNSA-N 0 3 295.386 3.623 20 30 CHEDHN COc1ccc2c(c1)CN([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172319751 1132158261 /nfs/dbraw/zinc/15/82/61/1132158261.db2.gz QWHKHVPYOKVIHD-CQSZACIVSA-N 0 3 292.382 3.514 20 30 CHEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H](CF)c1ccccc1 ZINC001172298763 1132167151 /nfs/dbraw/zinc/16/71/51/1132167151.db2.gz CZFHDDNCZJPNRN-KBXCAEBGSA-N 0 3 282.362 3.790 20 30 CHEDHN CCCCCCC[C@@H](CC)n1cnc2c1CNCC2 ZINC001172356032 1132186174 /nfs/dbraw/zinc/18/61/74/1132186174.db2.gz GFNNNZNQAWHTBH-CQSZACIVSA-N 0 3 263.429 3.840 20 30 CHEDHN CCCCCCC[C@H](CC)N[C@@H](C(N)=O)c1ccccc1 ZINC001172359330 1132187011 /nfs/dbraw/zinc/18/70/11/1132187011.db2.gz VQRCBNNQSBSSCA-DLBZAZTESA-N 0 3 290.451 3.942 20 30 CHEDHN C[C@H](CCCC#N)NCC(=O)c1ccc(C(F)(F)F)cc1 ZINC001172487452 1132231286 /nfs/dbraw/zinc/23/12/86/1132231286.db2.gz HIUKMSXGKKCHFR-LLVKDONJSA-N 0 3 298.308 3.560 20 30 CHEDHN C[C@H](CCCC#N)N(C)Cc1ccccc1Cl ZINC001172504264 1132253163 /nfs/dbraw/zinc/25/31/63/1132253163.db2.gz FMRHVBOLIKHEFQ-GFCCVEGCSA-N 0 3 250.773 3.854 20 30 CHEDHN CCCCCCCC[C@@H](CC)N1CC[C@@H](O)[C@@H](F)C1 ZINC001172504550 1132254024 /nfs/dbraw/zinc/25/40/24/1132254024.db2.gz GFNAMFRLMGWGDZ-OWCLPIDISA-N 0 3 273.436 3.920 20 30 CHEDHN CCCCCCC[C@H](CCC)n1cc(CN)cnc1=N ZINC001172509262 1132256990 /nfs/dbraw/zinc/25/69/90/1132256990.db2.gz UWMXNJNSSGCEHL-HNNXBMFYSA-N 0 3 278.444 3.523 20 30 CHEDHN CSc1nc(CN2CCC[C@@H](C)[C@H](C)C2)ccc1C#N ZINC001141932060 1132269586 /nfs/dbraw/zinc/26/95/86/1132269586.db2.gz RVTDQKKAQYNFIB-CHWSQXEVSA-N 0 3 289.448 3.543 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\CCC(C)(F)F)c([O-])c1 ZINC000840708493 1132272957 /nfs/dbraw/zinc/27/29/57/1132272957.db2.gz XLGRYYCQJFVNLM-WQRHYEAKSA-N 0 3 284.350 3.703 20 30 CHEDHN C[C@H](CCc1c(F)cc(Cl)cc1F)NCC1(C#N)CC1 ZINC001172575856 1132273872 /nfs/dbraw/zinc/27/38/72/1132273872.db2.gz JUHKHZPKOYPSAE-SNVBAGLBSA-N 0 3 298.764 3.833 20 30 CHEDHN C[C@]1(C#N)CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172545437 1132278357 /nfs/dbraw/zinc/27/83/57/1132278357.db2.gz ABKHXRSYYNYWGX-KZNAEPCWSA-N 0 3 268.404 3.948 20 30 CHEDHN C#CCCCN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000840725426 1132278756 /nfs/dbraw/zinc/27/87/56/1132278756.db2.gz AWSDEICPDJSXOH-CYBMUJFWSA-N 0 3 270.401 3.874 20 30 CHEDHN CCCCCCCCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000840725928 1132278885 /nfs/dbraw/zinc/27/88/85/1132278885.db2.gz QSFXGBFETKJOOP-AWEZNQCLSA-N 0 3 263.429 3.840 20 30 CHEDHN C=CCCCCCCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000840749490 1132280858 /nfs/dbraw/zinc/28/08/58/1132280858.db2.gz KYDHKKBUATYVLH-AWEZNQCLSA-N 0 3 261.413 3.616 20 30 CHEDHN Cc1c([C@@H](C)NCC(C)(C)CC#N)cnn1-c1ccccc1 ZINC000840784519 1132286707 /nfs/dbraw/zinc/28/67/07/1132286707.db2.gz BPTPNRJAJSOAQH-CQSZACIVSA-N 0 3 296.418 3.771 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(COC)o1 ZINC001231691140 1132343859 /nfs/dbraw/zinc/34/38/59/1132343859.db2.gz KFVKVKOJORGTIR-UHFFFAOYSA-N 0 3 253.386 3.828 20 30 CHEDHN C=CCOc1cccc(C[N@@H+](CC)Cc2ccccc2[O-])c1 ZINC001231623943 1132330004 /nfs/dbraw/zinc/33/00/04/1132330004.db2.gz CEZVWKDCSMISQY-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C=CCOc1cccc(C[N@H+](CC)Cc2ccccc2[O-])c1 ZINC001231623943 1132330012 /nfs/dbraw/zinc/33/00/12/1132330012.db2.gz CEZVWKDCSMISQY-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C#Cc1cccc(CN2CC=C(c3ccccc3)CC2)c1 ZINC001231662628 1132338004 /nfs/dbraw/zinc/33/80/04/1132338004.db2.gz IRRVAMZVLSQIBO-UHFFFAOYSA-N 0 3 273.379 3.957 20 30 CHEDHN CCCCc1ccc(CN2CCC(C#N)CC2)cc1 ZINC001231780411 1132357081 /nfs/dbraw/zinc/35/70/81/1132357081.db2.gz RJUNTRRTGMHMRP-UHFFFAOYSA-N 0 3 256.393 3.765 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC001232115306 1132424025 /nfs/dbraw/zinc/42/40/25/1132424025.db2.gz KDTPXDASWWLPLO-RYUDHWBXSA-N 0 3 262.784 3.832 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CCC3)CC2)cc1Cl ZINC001232111673 1132424033 /nfs/dbraw/zinc/42/40/33/1132424033.db2.gz JJPOJXVWAYJGPL-UHFFFAOYSA-N 0 3 274.795 3.978 20 30 CHEDHN C=CCOC1CCC(N(C)Cc2ccc(F)cc2F)CC1 ZINC001173326797 1132461263 /nfs/dbraw/zinc/46/12/63/1132461263.db2.gz RBHXSTOAWPYLBX-UHFFFAOYSA-N 0 3 295.373 3.910 20 30 CHEDHN C=CCCCCN(C)Cc1cc(OC)ccc1OCC ZINC001232385408 1132462126 /nfs/dbraw/zinc/46/21/26/1132462126.db2.gz QIMFHLKJQDMQOH-UHFFFAOYSA-N 0 3 277.408 3.882 20 30 CHEDHN Cc1cccc(CN2CCC(S)CC2)c1OC(C)C ZINC001232394456 1132464031 /nfs/dbraw/zinc/46/40/31/1132464031.db2.gz HOXDZMGMIDHAKS-UHFFFAOYSA-N 0 3 279.449 3.676 20 30 CHEDHN C[C@@]1(F)CCCCN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911815 1132476559 /nfs/dbraw/zinc/47/65/59/1132476559.db2.gz KSEUOWHWKHWVNM-QGZVFWFLSA-N 0 3 285.366 3.754 20 30 CHEDHN C=CCOC1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC001173316253 1132477612 /nfs/dbraw/zinc/47/76/12/1132477612.db2.gz ZAIBQGBNXLPABS-NFOMZHRRSA-N 0 3 275.392 3.557 20 30 CHEDHN CC1(c2ccccc2)CCN(Cc2cc(C#N)ccn2)CC1 ZINC001232481373 1132478216 /nfs/dbraw/zinc/47/82/16/1132478216.db2.gz DOMWVIVZUBEPTJ-UHFFFAOYSA-N 0 3 291.398 3.507 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc(C2CC2)cs1)c1ccco1 ZINC000842940528 1132480268 /nfs/dbraw/zinc/48/02/68/1132480268.db2.gz GBYWXSSASSTVQC-GXSJLCMTSA-N 0 3 286.356 3.593 20 30 CHEDHN CC(C)CN(Cc1c(F)ccc(C#N)c1F)CC(C)C ZINC001143164055 1132511583 /nfs/dbraw/zinc/51/15/83/1132511583.db2.gz SYYRQKUGMZOWBQ-UHFFFAOYSA-N 0 3 280.362 3.950 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2cnc(-c3ccco3)s2)C1 ZINC000843423602 1132531657 /nfs/dbraw/zinc/53/16/57/1132531657.db2.gz PDDSTBVRBSFRNZ-CYBMUJFWSA-N 0 3 286.400 3.638 20 30 CHEDHN Cc1ccc(CN2CCC[C@](C)(F)CC2)c(C#N)c1 ZINC001232961666 1132550033 /nfs/dbraw/zinc/55/00/33/1132550033.db2.gz CACQYHCLUORGLN-INIZCTEOSA-N 0 3 260.356 3.581 20 30 CHEDHN C=CCCC[C@H](NC(=O)[C@H](CC)N(C)C)c1ccccc1 ZINC001153536390 1132595243 /nfs/dbraw/zinc/59/52/43/1132595243.db2.gz UFJWVNCZHKLWJF-IRXDYDNUSA-N 0 3 288.435 3.540 20 30 CHEDHN Cc1cnccc1Nc1ccc(C#N)c2ccccc12 ZINC001174537470 1132897107 /nfs/dbraw/zinc/89/71/07/1132897107.db2.gz GOFCMRWGFPFANM-UHFFFAOYSA-N 0 3 259.312 3.580 20 30 CHEDHN COc1ccc(CN(C)Cc2ccc(C#N)cc2)c(C)c1C ZINC001203720068 1133358337 /nfs/dbraw/zinc/35/83/37/1133358337.db2.gz NUZMXILRMNHTFU-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN CSc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001204142879 1133410218 /nfs/dbraw/zinc/41/02/18/1133410218.db2.gz WVHSEVZFPFYOIH-ZDUSSCGKSA-N 0 3 260.406 3.534 20 30 CHEDHN C=CCC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204275758 1133427115 /nfs/dbraw/zinc/42/71/15/1133427115.db2.gz ZAILVHGLHVMNPO-UHFFFAOYSA-N 0 3 283.371 3.676 20 30 CHEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204275758 1133427118 /nfs/dbraw/zinc/42/71/18/1133427118.db2.gz ZAILVHGLHVMNPO-UHFFFAOYSA-N 0 3 283.371 3.676 20 30 CHEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([O-])c(F)c1 ZINC001204804153 1133487830 /nfs/dbraw/zinc/48/78/30/1133487830.db2.gz WYWPZMJXDDIJJC-UHFFFAOYSA-N 0 3 298.361 3.815 20 30 CHEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([O-])c(F)c1 ZINC001204804153 1133487833 /nfs/dbraw/zinc/48/78/33/1133487833.db2.gz WYWPZMJXDDIJJC-UHFFFAOYSA-N 0 3 298.361 3.815 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(C(F)(F)F)nc1 ZINC001205444073 1133577938 /nfs/dbraw/zinc/57/79/38/1133577938.db2.gz NESLPPPCZOKIGZ-UHFFFAOYSA-N 0 3 272.314 3.889 20 30 CHEDHN CC1=CCC[C@H](C)[C@H]1CN1Cc2ccc(C#N)cc2C1 ZINC001206457843 1133705773 /nfs/dbraw/zinc/70/57/73/1133705773.db2.gz XYRKFKORDOSXRW-KSSFIOAISA-N 0 3 266.388 3.866 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)ccc2OCC)C1 ZINC001206801180 1133749245 /nfs/dbraw/zinc/74/92/45/1133749245.db2.gz TTYDTUACXANWMU-CYBMUJFWSA-N 0 3 277.795 3.584 20 30 CHEDHN N#CCCN(CCCc1ccccc1F)C1CCCC1 ZINC001207492921 1133807011 /nfs/dbraw/zinc/80/70/11/1133807011.db2.gz FVWUBZHNHDLERX-UHFFFAOYSA-N 0 3 274.383 3.917 20 30 CHEDHN CC[N@H+](CCCc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC001208850697 1133951747 /nfs/dbraw/zinc/95/17/47/1133951747.db2.gz IAKRIADTZJRZFG-UHFFFAOYSA-N 0 3 294.398 3.719 20 30 CHEDHN CC[N@@H+](CCCc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC001208850697 1133951755 /nfs/dbraw/zinc/95/17/55/1133951755.db2.gz IAKRIADTZJRZFG-UHFFFAOYSA-N 0 3 294.398 3.719 20 30 CHEDHN N#C[C@H]1CCCN(CCCc2ccccc2Cl)CC1 ZINC001208872167 1133956651 /nfs/dbraw/zinc/95/66/51/1133956651.db2.gz WBSNITRJDIYCNE-AWEZNQCLSA-N 0 3 276.811 3.898 20 30 CHEDHN N#Cc1ccc(CCN2CCc3c(Cl)cccc3C2)cc1 ZINC001208926928 1133962992 /nfs/dbraw/zinc/96/29/92/1133962992.db2.gz GSFHRCFONLJEGU-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN C=CCCCCCN1CCc2cccc(OC)c2C1 ZINC001209423301 1134014584 /nfs/dbraw/zinc/01/45/84/1134014584.db2.gz MIRLYBUJDJOCRR-UHFFFAOYSA-N 0 3 259.393 3.800 20 30 CHEDHN C[C@H]1CC(=O)C=C(Nc2cccc(CN3CCCCC3)c2)C1 ZINC001210777303 1134294210 /nfs/dbraw/zinc/29/42/10/1134294210.db2.gz WYOJSJCRASHOQB-OAHLLOKOSA-N 0 3 298.430 3.967 20 30 CHEDHN C=CCOc1ccccc1[C@H](C)Oc1cccc2c1CNC2 ZINC001218347617 1135091690 /nfs/dbraw/zinc/09/16/90/1135091690.db2.gz KRSRXZMGPVLQEF-AWEZNQCLSA-N 0 3 295.382 3.995 20 30 CHEDHN C=CCc1ccccc1O[C@H]1CNCc2ccccc21 ZINC001218486583 1135115460 /nfs/dbraw/zinc/11/54/60/1135115460.db2.gz FAHVPVZESUNRFP-SFHVURJKSA-N 0 3 265.356 3.638 20 30 CHEDHN C=C(Br)CNc1c(C)cnc2ccccc21 ZINC000309883188 1135118983 /nfs/dbraw/zinc/11/89/83/1135118983.db2.gz WQKHXGIDSVILPA-UHFFFAOYSA-N 0 3 277.165 3.864 20 30 CHEDHN CCc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000347620992 529638750 /nfs/dbraw/zinc/63/87/50/529638750.db2.gz YMAQQXYSZXSWIX-UHFFFAOYSA-N 0 3 293.414 3.926 20 30 CHEDHN Cc1ccccc1[C@@H](C)NCc1ccc(C#N)s1 ZINC000135667834 120596086 /nfs/dbraw/zinc/59/60/86/120596086.db2.gz WSORZKSBFCVGCI-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000525641005 260787985 /nfs/dbraw/zinc/78/79/85/260787985.db2.gz OLBFHOSFBGGRHV-CHWSQXEVSA-N 0 3 260.356 3.708 20 30 CHEDHN CC(C)CC[C@@H](NCc1nc(C#N)cs1)C(C)(C)C ZINC000574202660 335000295 /nfs/dbraw/zinc/00/02/95/335000295.db2.gz HPCCFKXWNCUSQW-CYBMUJFWSA-N 0 3 279.453 3.955 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccc(Br)cc1 ZINC000191497893 262192438 /nfs/dbraw/zinc/19/24/38/262192438.db2.gz BHNVKYFOKFUDQV-BXUZGUMPSA-N 0 3 295.224 3.662 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(O)c1 ZINC000036991913 260061410 /nfs/dbraw/zinc/06/14/10/260061410.db2.gz BSDDYYPQBSZWQR-QWHCGFSZSA-N 0 3 266.344 3.676 20 30 CHEDHN CO[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353262772 533373167 /nfs/dbraw/zinc/37/31/67/533373167.db2.gz IXUYPCNYZJBNOG-OALUTQOASA-N 0 3 292.382 3.523 20 30 CHEDHN Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000020134001 171022183 /nfs/dbraw/zinc/02/21/83/171022183.db2.gz PRGMFGBXYSOFBK-AWEZNQCLSA-N 0 3 250.345 3.718 20 30 CHEDHN CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000035256357 172085919 /nfs/dbraw/zinc/08/59/19/172085919.db2.gz OLPRLUNOLBOQLG-AWEZNQCLSA-N 0 3 280.371 3.808 20 30 CHEDHN C[C@@H](CCC1CCCCC1)NCc1nc(C#N)cs1 ZINC000352831316 227304846 /nfs/dbraw/zinc/30/48/46/227304846.db2.gz GEOMXMUPEMLDNU-LBPRGKRZSA-N 0 3 277.437 3.853 20 30 CHEDHN N#C[C@@H]1CC[C@H](NC2(c3ccc(Cl)cc3)CC2)C1 ZINC000336170914 228203119 /nfs/dbraw/zinc/20/31/19/228203119.db2.gz LGJXSUBMXASZDJ-RISCZKNCSA-N 0 3 260.768 3.611 20 30 CHEDHN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC1CCC(C)(C#N)CC1 ZINC000336219281 228215739 /nfs/dbraw/zinc/21/57/39/228215739.db2.gz KNNGZLKGZMFKHI-LCJQRQNWSA-N 0 3 288.366 3.710 20 30 CHEDHN CC[C@H](NCCOc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447546733 260039345 /nfs/dbraw/zinc/03/93/45/260039345.db2.gz YLARYHGJRYPFEB-SFHVURJKSA-N 0 3 298.361 3.817 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000179916059 260079826 /nfs/dbraw/zinc/07/98/26/260079826.db2.gz FPKZHWQVROOCHW-GOSISDBHSA-N 0 3 280.346 3.865 20 30 CHEDHN C=C(C)[C@@H](N[C@@H](C)COCC)c1ccc(F)c(F)c1 ZINC000186454148 260082943 /nfs/dbraw/zinc/08/29/43/260082943.db2.gz DGSLNGIZXRBFGA-XHDPSFHLSA-N 0 3 269.335 3.597 20 30 CHEDHN C[C@@H]1CC(NCc2ccc(C#N)cc2F)C[C@@H](C)C1 ZINC000084975397 260171691 /nfs/dbraw/zinc/17/16/91/260171691.db2.gz XUILVQOFPHTPSZ-RYUDHWBXSA-N 0 3 260.356 3.612 20 30 CHEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000404249645 260174715 /nfs/dbraw/zinc/17/47/15/260174715.db2.gz INOQHNBMHQTBMO-CYBMUJFWSA-N 0 3 260.356 3.709 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Br)s1 ZINC000309839334 260193782 /nfs/dbraw/zinc/19/37/82/260193782.db2.gz CJDDFKAHRFDPLT-UTLUCORTSA-N 0 3 299.237 3.853 20 30 CHEDHN CN(CCCC#N)C1c2ccccc2-c2ccccc21 ZINC000081596527 260336051 /nfs/dbraw/zinc/33/60/51/260336051.db2.gz CGTMWNQWZKUZKJ-UHFFFAOYSA-N 0 3 262.356 3.992 20 30 CHEDHN COc1ccc(C#N)cc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000130425466 260395455 /nfs/dbraw/zinc/39/54/55/260395455.db2.gz YOMPBGXUAFQHDP-CJNGLKHVSA-N 0 3 272.392 3.577 20 30 CHEDHN C=CCCCN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000448033031 260640692 /nfs/dbraw/zinc/64/06/92/260640692.db2.gz XTABRWWLBICHKI-NSHDSACASA-N 0 3 277.799 3.844 20 30 CHEDHN CC(C)(C#N)CCCN1CCC[C@H]1c1ccncc1 ZINC000119873104 260660191 /nfs/dbraw/zinc/66/01/91/260660191.db2.gz SUNGBHHUXCLVPP-HNNXBMFYSA-N 0 3 257.381 3.548 20 30 CHEDHN CC(C#N)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000428629666 260883155 /nfs/dbraw/zinc/88/31/55/260883155.db2.gz VQNZZWRPDYSZJW-FZKQIMNGSA-N 0 3 290.366 3.617 20 30 CHEDHN COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000157928971 261155761 /nfs/dbraw/zinc/15/57/61/261155761.db2.gz MMQLOCWXKPYTIE-KRWDZBQOSA-N 0 3 292.382 3.556 20 30 CHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1cccs1 ZINC000182557653 261452572 /nfs/dbraw/zinc/45/25/72/261452572.db2.gz UNYCQSQUZWKYPT-JTQLQIEISA-N 0 3 260.337 3.610 20 30 CHEDHN CCc1nc([C@@H](C)NCCCC(C)(C)C#N)cs1 ZINC000184677522 262025574 /nfs/dbraw/zinc/02/55/74/262025574.db2.gz URFXNEVSVGKUKJ-LLVKDONJSA-N 0 3 265.426 3.686 20 30 CHEDHN CC(C)c1nc([C@@H](C)NCCCCC#N)cs1 ZINC000184726179 262028205 /nfs/dbraw/zinc/02/82/05/262028205.db2.gz VPZOYXRWJXBPEN-LLVKDONJSA-N 0 3 251.399 3.611 20 30 CHEDHN CCCOCc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185785125 262070819 /nfs/dbraw/zinc/07/08/19/262070819.db2.gz GWDPPMKCGFFQDD-YJBOKZPZSA-N 0 3 286.419 3.785 20 30 CHEDHN C=CC[C@@H](CC)NCc1ccc(OC)c(OC)c1Cl ZINC000393811555 262195457 /nfs/dbraw/zinc/19/54/57/262195457.db2.gz WKZVUMIPEXMGMQ-GFCCVEGCSA-N 0 3 283.799 3.802 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(C(F)F)cc2)C1 ZINC000193292882 262219493 /nfs/dbraw/zinc/21/94/93/262219493.db2.gz KFTCSVSLTJATOK-TZMCWYRMSA-N 0 3 264.319 3.796 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC000193311188 262220584 /nfs/dbraw/zinc/22/05/84/262220584.db2.gz URCHXXQNJGXJCK-ZWNOBZJWSA-N 0 3 266.747 3.651 20 30 CHEDHN C=CCOc1ccccc1CNC[C@H]1CCCC1(F)F ZINC000390642877 262234303 /nfs/dbraw/zinc/23/43/03/262234303.db2.gz LKNOLKPVBHXELR-CQSZACIVSA-N 0 3 281.346 3.776 20 30 CHEDHN C=CCCC[C@@H](C)N[C@H](CO)c1cccc(Cl)c1F ZINC000499941151 262246839 /nfs/dbraw/zinc/24/68/39/262246839.db2.gz CGUKFNMFBQPXLP-BXUZGUMPSA-N 0 3 285.790 3.847 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000364671631 262256675 /nfs/dbraw/zinc/25/66/75/262256675.db2.gz HYGBPHMDENOVDT-CVEARBPZSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000364671631 262256676 /nfs/dbraw/zinc/25/66/76/262256676.db2.gz HYGBPHMDENOVDT-CVEARBPZSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000364671631 262256677 /nfs/dbraw/zinc/25/66/77/262256677.db2.gz HYGBPHMDENOVDT-CVEARBPZSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CC[C@H](C)NCc1cccc(Br)c1OC ZINC000187248016 262393575 /nfs/dbraw/zinc/39/35/75/262393575.db2.gz QNCKKKLDILFSBB-JTQLQIEISA-N 0 3 284.197 3.512 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC[C@H]1c1cccnc1 ZINC000336828215 262398293 /nfs/dbraw/zinc/39/82/93/262398293.db2.gz XIQHNWOSHXWJJS-INIZCTEOSA-N 0 3 271.408 3.939 20 30 CHEDHN CC[C@@H](NCCC(C)(C)C#N)c1ccc(OC)cc1 ZINC000272034231 263001305 /nfs/dbraw/zinc/00/13/05/263001305.db2.gz PUCDHQQGYPCFED-OAHLLOKOSA-N 0 3 260.381 3.676 20 30 CHEDHN COc1cc(C)c([C@H](C)NCCC(C)(C)C#N)cc1OC ZINC000272046543 263001585 /nfs/dbraw/zinc/00/15/85/263001585.db2.gz SEHRLAGCLASJQC-ZDUSSCGKSA-N 0 3 290.407 3.603 20 30 CHEDHN CC1(C#N)CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000272517491 263005787 /nfs/dbraw/zinc/00/57/87/263005787.db2.gz KKTKMCIGKNNXHR-UHFFFAOYSA-N 0 3 291.398 3.874 20 30 CHEDHN C[C@@H]1COc2ccccc2CN1CCCC(C)(C)C#N ZINC000272885315 263009644 /nfs/dbraw/zinc/00/96/44/263009644.db2.gz CYMPWHALQNYYAI-CQSZACIVSA-N 0 3 272.392 3.599 20 30 CHEDHN C[C@@H]1COc2ccccc2CN1CC(C)(C)CCC#N ZINC000272935632 263010242 /nfs/dbraw/zinc/01/02/42/263010242.db2.gz LDCPLOJGXVYTQE-CQSZACIVSA-N 0 3 272.392 3.599 20 30 CHEDHN N#CCCCNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000273046333 263011476 /nfs/dbraw/zinc/01/14/76/263011476.db2.gz JMSOLEGXFRMFDR-UHFFFAOYSA-N 0 3 276.689 3.752 20 30 CHEDHN C[C@H]1C[C@@H](NCCCC#N)c2cccc(Br)c21 ZINC000273314792 263015196 /nfs/dbraw/zinc/01/51/96/263015196.db2.gz XTPJYCHGHCHZOZ-GXFFZTMASA-N 0 3 293.208 3.891 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(OC(C)(C)C)cc1 ZINC000274325264 263023134 /nfs/dbraw/zinc/02/31/34/263023134.db2.gz YJJDXTKKFVVGCS-ZDUSSCGKSA-N 0 3 260.381 3.818 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)F)cc1 ZINC000274416586 263023903 /nfs/dbraw/zinc/02/39/03/263023903.db2.gz HZZRQXAAHRWNIG-GMXVVIOVSA-N 0 3 280.318 3.631 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(Cl)c1 ZINC000274417912 263023918 /nfs/dbraw/zinc/02/39/18/263023918.db2.gz IJFIQKOWNBRVOL-JBLDHEPKSA-N 0 3 266.747 3.822 20 30 CHEDHN CC(C)(C#N)CCN1CCC(c2ccsc2)CC1 ZINC000275046884 263032306 /nfs/dbraw/zinc/03/23/06/263032306.db2.gz ZTFCQPDWTFBOTE-UHFFFAOYSA-N 0 3 262.422 3.867 20 30 CHEDHN CCN(CCC(C)(C)C#N)[C@@H](C)Cc1ccsc1 ZINC000275177494 263032777 /nfs/dbraw/zinc/03/27/77/263032777.db2.gz WGCGALBQHBBLKW-ZDUSSCGKSA-N 0 3 264.438 3.941 20 30 CHEDHN CCN(Cc1ccc(Cl)s1)[C@H](C)CCC#N ZINC000276290753 263035637 /nfs/dbraw/zinc/03/56/37/263035637.db2.gz HTEIANBAFGFIQN-SNVBAGLBSA-N 0 3 256.802 3.916 20 30 CHEDHN CC(C)(C#N)CCCCN1CCc2ccc(F)cc2C1 ZINC000277580384 263042187 /nfs/dbraw/zinc/04/21/87/263042187.db2.gz CFFKCAKOQVBGOA-UHFFFAOYSA-N 0 3 274.383 3.904 20 30 CHEDHN C=CCOc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1 ZINC000340106043 263071008 /nfs/dbraw/zinc/07/10/08/263071008.db2.gz PJBFBGSKXFRGNW-IBGZPJMESA-N 0 3 294.398 3.887 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000282185530 263074945 /nfs/dbraw/zinc/07/49/45/263074945.db2.gz GAGDCAISCFQXEY-GMXVVIOVSA-N 0 3 298.308 3.928 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000282352817 263076249 /nfs/dbraw/zinc/07/62/49/263076249.db2.gz PKQMAUXZQOSQBI-MJVIPROJSA-N 0 3 293.208 3.792 20 30 CHEDHN CC(C)N(CCCC#N)Cc1cccc(Br)c1 ZINC000353479306 263084133 /nfs/dbraw/zinc/08/41/33/263084133.db2.gz BOHXDCKMSJWUHM-UHFFFAOYSA-N 0 3 295.224 3.963 20 30 CHEDHN CC[C@](C)(C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000284969461 263088747 /nfs/dbraw/zinc/08/87/47/263088747.db2.gz BEBLARSOFCTXJB-GOSISDBHSA-N 0 3 299.418 3.551 20 30 CHEDHN C=CCC[C@H](CC)N[C@H](c1cnn(C)c1)c1ccccc1 ZINC000366673818 263114979 /nfs/dbraw/zinc/11/49/79/263114979.db2.gz FDNFPDWMCGNBOQ-ROUUACIJSA-N 0 3 283.419 3.844 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000293061269 263137669 /nfs/dbraw/zinc/13/76/69/263137669.db2.gz LDTNTPZCVMPWEE-IUODEOHRSA-N 0 3 290.357 3.836 20 30 CHEDHN CCn1cc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000340456137 263157950 /nfs/dbraw/zinc/15/79/50/263157950.db2.gz UZKGDPRCBOORRY-YJBOKZPZSA-N 0 3 296.418 3.989 20 30 CHEDHN C[C@@H]1C[C@@H]1[C@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000294768385 263167388 /nfs/dbraw/zinc/16/73/88/263167388.db2.gz YYNWTQAKNOWCRS-UHOFOFEASA-N 0 3 292.810 3.557 20 30 CHEDHN C[C@H](CCC#N)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000298605481 263223009 /nfs/dbraw/zinc/22/30/09/263223009.db2.gz SRBHQXZNDINMKW-WKPIXPDZSA-N 0 3 296.773 3.591 20 30 CHEDHN C[C@H](CCC#N)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000298605469 263223036 /nfs/dbraw/zinc/22/30/36/263223036.db2.gz SRBHQXZNDINMKW-KMUNFCNLSA-N 0 3 296.773 3.591 20 30 CHEDHN N#CC1(c2ccccc2)CCC(NCc2ccco2)CC1 ZINC000299316313 263238661 /nfs/dbraw/zinc/23/86/61/263238661.db2.gz DGHKYYICIMWATJ-UHFFFAOYSA-N 0 3 280.371 3.773 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000187668507 263266572 /nfs/dbraw/zinc/26/65/72/263266572.db2.gz LDGPGDIHIYBXLW-BEFAXECRSA-N 0 3 291.398 3.806 20 30 CHEDHN C=C(C)COCCN[C@@H](CCC)c1ccsc1 ZINC000187796148 263268692 /nfs/dbraw/zinc/26/86/92/263268692.db2.gz URYPERMTPYUZFO-AWEZNQCLSA-N 0 3 253.411 3.772 20 30 CHEDHN C=CCCOCCN[C@H](CCC)c1ccsc1 ZINC000187807467 263268757 /nfs/dbraw/zinc/26/87/57/263268757.db2.gz XNQSXXRPABUOKQ-CQSZACIVSA-N 0 3 253.411 3.772 20 30 CHEDHN Cc1ccc2nccc(NCC(C)(C)CCC#N)c2c1 ZINC000340889904 263311968 /nfs/dbraw/zinc/31/19/68/263311968.db2.gz GZZPAMJVCNRUFC-UHFFFAOYSA-N 0 3 267.376 3.707 20 30 CHEDHN COCc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425365091 264210881 /nfs/dbraw/zinc/21/08/81/264210881.db2.gz IRYYGBMOLDJVQF-HNNXBMFYSA-N 0 3 294.398 3.898 20 30 CHEDHN CCS[C@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N ZINC000189482778 264302743 /nfs/dbraw/zinc/30/27/43/264302743.db2.gz PMAYGJBIQUPHMR-CVEARBPZSA-N 0 3 292.423 3.851 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cncc(C)c1 ZINC000189810694 264327302 /nfs/dbraw/zinc/32/73/02/264327302.db2.gz PPJOSWKZANAWDR-UHFFFAOYSA-N 0 3 266.388 3.621 20 30 CHEDHN C[C@H](NCC(C)(C)CCC#N)c1ccc(C#N)cc1F ZINC000348241713 265147933 /nfs/dbraw/zinc/14/79/33/265147933.db2.gz GOGUDRZAXYWXTQ-LBPRGKRZSA-N 0 3 273.355 3.678 20 30 CHEDHN N#Cc1csc(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000093492225 265181721 /nfs/dbraw/zinc/18/17/21/265181721.db2.gz JWPAOGUOWJYHOH-MRXNPFEDSA-N 0 3 268.385 3.861 20 30 CHEDHN CC1(C)CCCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000094325512 265234964 /nfs/dbraw/zinc/23/49/64/265234964.db2.gz CSGSHKVMTSRMDJ-HNNXBMFYSA-N 0 3 260.356 3.756 20 30 CHEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCC[C@H]1c1ccccc1 ZINC000520377420 265790876 /nfs/dbraw/zinc/79/08/76/265790876.db2.gz JDFXOHYCGWMPFZ-NJAFHUGGSA-N 0 3 281.403 3.603 20 30 CHEDHN CC1(C)Cc2cc(CN3CCC(CCC#N)CC3)ccc2O1 ZINC000514605371 266016719 /nfs/dbraw/zinc/01/67/19/266016719.db2.gz POEUWFOFNPOSAP-UHFFFAOYSA-N 0 3 298.430 3.916 20 30 CHEDHN C=C(CN[C@H](C)c1cnccc1C)c1ccccc1 ZINC000357777003 266359708 /nfs/dbraw/zinc/35/97/08/266359708.db2.gz GNUUNTLOSZHDIT-OAHLLOKOSA-N 0 3 252.361 3.754 20 30 CHEDHN C[C@@H](N[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367800386 267118920 /nfs/dbraw/zinc/11/89/20/267118920.db2.gz JBDWPZXPQPNRMP-AUUYWEPGSA-N 0 3 292.382 3.665 20 30 CHEDHN Cc1nc2c(s1)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)CCC2 ZINC000368631638 267192294 /nfs/dbraw/zinc/19/22/94/267192294.db2.gz JYEONBGPRSDGEQ-YRGRVCCFSA-N 0 3 275.421 3.501 20 30 CHEDHN C=CCC[C@H](NCc1cn(C)nc1C)c1ccccc1 ZINC000119225632 267311604 /nfs/dbraw/zinc/31/16/04/267311604.db2.gz YGKNBGDVDGHEBK-KRWDZBQOSA-N 0 3 269.392 3.526 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000119328201 267322487 /nfs/dbraw/zinc/32/24/87/267322487.db2.gz IDFXMHYJXUFRCE-RYUDHWBXSA-N 0 3 273.355 3.545 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000119328446 267322687 /nfs/dbraw/zinc/32/26/87/267322687.db2.gz IDFXMHYJXUFRCE-NEPJUHHUSA-N 0 3 273.355 3.545 20 30 CHEDHN N#CC1(CNCCCCCOc2ccccc2)CCC1 ZINC000418140037 267362230 /nfs/dbraw/zinc/36/22/30/267362230.db2.gz IMACBJHMCMHOOH-UHFFFAOYSA-N 0 3 272.392 3.519 20 30 CHEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCC1 ZINC000418144734 267366118 /nfs/dbraw/zinc/36/61/18/267366118.db2.gz VCIJJLMERPWRAS-GFCCVEGCSA-N 0 3 296.336 3.920 20 30 CHEDHN N#CC1(CN[C@H]2CC[C@H](Cc3ccccc3)C2)CCC1 ZINC000418144980 267366303 /nfs/dbraw/zinc/36/63/03/267366303.db2.gz WDTSUODHMQSRMN-SJORKVTESA-N 0 3 268.404 3.681 20 30 CHEDHN N#CCC[C@H](N[C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000377121704 268049742 /nfs/dbraw/zinc/04/97/42/268049742.db2.gz XKPUHPSURSFXNA-DLBZAZTESA-N 0 3 284.403 3.580 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(Br)c2)C1 ZINC000185812869 327846096 /nfs/dbraw/zinc/84/60/96/327846096.db2.gz LSQRCTDHSULHPM-SMDDNHRTSA-N 0 3 293.208 3.621 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2OCC2CC2)C1 ZINC000185837165 327847307 /nfs/dbraw/zinc/84/73/07/327847307.db2.gz GRSSGHBXEKXXSD-RDJZCZTQSA-N 0 3 284.403 3.647 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000192772338 327877730 /nfs/dbraw/zinc/87/77/30/327877730.db2.gz JANFNAXRCOYAKZ-HPBDAGMYSA-N 0 3 284.403 3.579 20 30 CHEDHN CC[C@H](CNCc1cccc(C#N)c1)Oc1cccc(C)c1 ZINC000531206207 327889258 /nfs/dbraw/zinc/88/92/58/327889258.db2.gz RJDQGYOTXMCCAA-GOSISDBHSA-N 0 3 294.398 3.814 20 30 CHEDHN Cc1cccc2c1CC[C@@H]2NCc1cc(C#N)cs1 ZINC000531356119 327901158 /nfs/dbraw/zinc/90/11/58/327901158.db2.gz RSWBYFCEVXLURL-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN C=CCCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000338542879 327983712 /nfs/dbraw/zinc/98/37/12/327983712.db2.gz SBSCXEGHAPSEFL-QGZVFWFLSA-N 0 3 252.361 3.645 20 30 CHEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)CCC1(F)F ZINC000411744934 328098740 /nfs/dbraw/zinc/09/87/40/328098740.db2.gz HDVZICJXAISTKS-CYBMUJFWSA-N 0 3 270.367 3.828 20 30 CHEDHN Cc1cc(C)cc([C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000266483814 328169541 /nfs/dbraw/zinc/16/95/41/328169541.db2.gz UHJVUKBHJFTQJF-HNAYVOBHSA-N 0 3 294.398 3.559 20 30 CHEDHN Cc1cccc(C)c1OCCCN1CCC(C)(C#N)CC1 ZINC000272651121 328200328 /nfs/dbraw/zinc/20/03/28/328200328.db2.gz ZHSLZJKEACSMLZ-UHFFFAOYSA-N 0 3 286.419 3.698 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(N2CCCCC2)cc1 ZINC000273179244 328204304 /nfs/dbraw/zinc/20/43/04/328204304.db2.gz DNFXYWIJAZUMLV-OAHLLOKOSA-N 0 3 271.408 3.631 20 30 CHEDHN CN(CCSCCC(C)(C)C#N)Cc1ccccc1 ZINC000278614658 328228402 /nfs/dbraw/zinc/22/84/02/328228402.db2.gz JEMQVTCPACASNF-UHFFFAOYSA-N 0 3 276.449 3.791 20 30 CHEDHN Cc1cccc(NC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000278636584 328229012 /nfs/dbraw/zinc/22/90/12/328229012.db2.gz OQCGROQJVMKHDO-CRAIPNDOSA-N 0 3 283.419 3.564 20 30 CHEDHN Cc1cnc(C(C)(C)NCCCCC(C)(C)C#N)s1 ZINC000278697281 328229904 /nfs/dbraw/zinc/22/99/04/328229904.db2.gz JMJRCEISCFNDHS-UHFFFAOYSA-N 0 3 279.453 3.996 20 30 CHEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCCCC#N ZINC000278854903 328231191 /nfs/dbraw/zinc/23/11/91/328231191.db2.gz FYDLFKQBCYULBH-HNNXBMFYSA-N 0 3 280.799 3.653 20 30 CHEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cnn(C)c1 ZINC000340430919 328276726 /nfs/dbraw/zinc/27/67/26/328276726.db2.gz AHJXASMVCQSYSS-WMLDXEAASA-N 0 3 282.391 3.506 20 30 CHEDHN CC(C)[C@@H](NCCOCCC#N)c1ccc(Cl)cc1F ZINC000294363940 328280635 /nfs/dbraw/zinc/28/06/35/328280635.db2.gz AVMHYHFJPCKMFD-OAHLLOKOSA-N 0 3 298.789 3.696 20 30 CHEDHN CC(C)(C)[C@@H](NCCOCCC#N)c1ccc(F)cc1F ZINC000294592040 328281966 /nfs/dbraw/zinc/28/19/66/328281966.db2.gz NCRWIXDLURPQRI-HNNXBMFYSA-N 0 3 296.361 3.572 20 30 CHEDHN CC(C)Oc1cccc(CN2CCC(CCC#N)CC2)c1 ZINC000563884913 328549717 /nfs/dbraw/zinc/54/97/17/328549717.db2.gz BDZKQQJGSMYXTG-UHFFFAOYSA-N 0 3 286.419 3.990 20 30 CHEDHN N#CCCC1CCN(c2ccnc3ccccc32)CC1 ZINC000335379261 328580592 /nfs/dbraw/zinc/58/05/92/328580592.db2.gz LLFLNZOYUSYDQD-UHFFFAOYSA-N 0 3 265.360 3.755 20 30 CHEDHN C=CCCC[C@@H](C)NCc1cc(F)ccc1OC ZINC000398178146 326872810 /nfs/dbraw/zinc/87/28/10/326872810.db2.gz NDDNITCYCVGNHP-GFCCVEGCSA-N 0 3 251.345 3.669 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)CC(C)(C)C)c1ccco1 ZINC000552058283 326874411 /nfs/dbraw/zinc/87/44/11/326874411.db2.gz AGJRWNKLBZCANX-ZIAGYGMSSA-N 0 3 265.397 3.674 20 30 CHEDHN C=CCCCCCN[C@H](c1ccccc1)c1cncnc1 ZINC000584063513 326912890 /nfs/dbraw/zinc/91/28/90/326912890.db2.gz TTWOGIYQAALPTM-GOSISDBHSA-N 0 3 281.403 3.902 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(SC)c(F)c1 ZINC000090451093 326922315 /nfs/dbraw/zinc/92/23/15/326922315.db2.gz AYZAMCVGVNIJRG-GFCCVEGCSA-N 0 3 283.412 3.791 20 30 CHEDHN C=CCC[C@@H](NC[C@H]1CCCCN1C1CC1)c1ccco1 ZINC000556878361 326976822 /nfs/dbraw/zinc/97/68/22/326976822.db2.gz MOIHNJSQFQVWFS-IAGOWNOFSA-N 0 3 288.435 3.893 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000557966182 327037933 /nfs/dbraw/zinc/03/79/33/327037933.db2.gz LXMLLUVKZUYKEO-CQSZACIVSA-N 0 3 260.356 3.555 20 30 CHEDHN C=CCCCN[C@H](COC)c1cccc(Cl)c1 ZINC000558185287 327077645 /nfs/dbraw/zinc/07/76/45/327077645.db2.gz ZDLLFAXFWDEHDJ-CQSZACIVSA-N 0 3 253.773 3.583 20 30 CHEDHN C=CCOCCN[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000559147295 327143219 /nfs/dbraw/zinc/14/32/19/327143219.db2.gz QOPLWQCFSCCOKA-HNNXBMFYSA-N 0 3 283.362 3.844 20 30 CHEDHN C=CCC(C)(C)CNCc1conc1Cc1ccccc1 ZINC000559308714 327157320 /nfs/dbraw/zinc/15/73/20/327157320.db2.gz UZXMMAFNJVHAEV-UHFFFAOYSA-N 0 3 284.403 3.957 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OC3CCCCC3)nc2)C1 ZINC000518473113 327165958 /nfs/dbraw/zinc/16/59/58/327165958.db2.gz NVWRYRORBLIYFD-GDBMZVCRSA-N 0 3 299.418 3.575 20 30 CHEDHN CCCCN(C(=O)C(C)C#N)[C@H](C)c1ccccc1 ZINC000531061224 327236549 /nfs/dbraw/zinc/23/65/49/327236549.db2.gz OTFYRTMHYJZPPY-UONOGXRCSA-N 0 3 258.365 3.536 20 30 CHEDHN CC1(C)CN(CC#Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000559432830 327245010 /nfs/dbraw/zinc/24/50/10/327245010.db2.gz XSXSOURZYZYIAG-IRXDYDNUSA-N 0 3 253.389 3.549 20 30 CHEDHN N#CC1(CN[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000560146000 327287044 /nfs/dbraw/zinc/28/70/44/327287044.db2.gz JUCZFOOFGWISTE-DZGCQCFKSA-N 0 3 274.795 3.869 20 30 CHEDHN C=CCOCCN[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000574294555 327311122 /nfs/dbraw/zinc/31/11/22/327311122.db2.gz PGMFYTPUCYJVJR-ZDUSSCGKSA-N 0 3 289.375 3.685 20 30 CHEDHN C=CCOc1ccc(CN2CCS[C@H](CC)C2)cc1 ZINC000560559702 327325079 /nfs/dbraw/zinc/32/50/79/327325079.db2.gz UHMDHOUOTURKAQ-MRXNPFEDSA-N 0 3 277.433 3.579 20 30 CHEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CCCC1 ZINC000449592792 327384450 /nfs/dbraw/zinc/38/44/50/327384450.db2.gz ZAAVYDGTNDVTKX-HZPDHXFCSA-N 0 3 292.467 3.502 20 30 CHEDHN CC#CCCN(C)Cc1ccccc1C(F)(F)F ZINC000155048638 327389546 /nfs/dbraw/zinc/38/95/46/327389546.db2.gz GINSHZFCMGENBD-UHFFFAOYSA-N 0 3 255.283 3.551 20 30 CHEDHN CC[C@@H](CC#N)NCCCc1ccccc1Cl ZINC000569707041 327538697 /nfs/dbraw/zinc/53/86/97/327538697.db2.gz XDFHPQOEZJSZOP-ZDUSSCGKSA-N 0 3 250.773 3.554 20 30 CHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(C#N)cc1 ZINC000335871759 328614966 /nfs/dbraw/zinc/61/49/66/328614966.db2.gz PNEANISOLLLRIT-YJYMSZOUSA-N 0 3 287.366 3.768 20 30 CHEDHN C=CCOc1ccccc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000536655780 328676415 /nfs/dbraw/zinc/67/64/15/328676415.db2.gz LMXSRFNGBKNOIC-ZIAGYGMSSA-N 0 3 277.433 3.577 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000378140596 329041140 /nfs/dbraw/zinc/04/11/40/329041140.db2.gz NUWWNLXUARSJNV-RDTXWAMCSA-N 0 3 296.414 3.742 20 30 CHEDHN C=C(C)CCNCc1csc(Br)c1 ZINC000386794123 329108470 /nfs/dbraw/zinc/10/84/70/329108470.db2.gz APHPEMINNYMUHJ-UHFFFAOYSA-N 0 3 260.200 3.566 20 30 CHEDHN C[C@@H](CCN(CCC#N)CC1CC1)c1ccccc1 ZINC000193880823 329062290 /nfs/dbraw/zinc/06/22/90/329062290.db2.gz PIMJLGNTFNUVMM-HNNXBMFYSA-N 0 3 256.393 3.806 20 30 CHEDHN CCN(Cc1cccnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000179464337 329208787 /nfs/dbraw/zinc/20/87/87/329208787.db2.gz FPRCTXDPELFHHU-OAHLLOKOSA-N 0 3 279.387 3.845 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)CCc1ccccc1)c1ccco1 ZINC000583016255 329303004 /nfs/dbraw/zinc/30/30/04/329303004.db2.gz PQEOVDDORSFFQI-ZWKOTPCHSA-N 0 3 299.414 3.870 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H](CC(F)F)c2ccccc2)C1 ZINC000421378555 329817326 /nfs/dbraw/zinc/81/73/26/329817326.db2.gz VKGZMCMDTNIVJX-XBFCOCLRSA-N 0 3 264.319 3.665 20 30 CHEDHN Cc1ccccc1O[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC000421364487 329823340 /nfs/dbraw/zinc/82/33/40/329823340.db2.gz ORFNBSVVMQLKBV-CQSZACIVSA-N 0 3 298.361 3.563 20 30 CHEDHN CSc1ccc(CN2CCC(CCC#N)CC2)s1 ZINC000572122133 329946276 /nfs/dbraw/zinc/94/62/76/329946276.db2.gz VAEXVYOTNHSKPA-UHFFFAOYSA-N 0 3 280.462 3.986 20 30 CHEDHN C#CC[C@H](N[C@@H](C)c1cccc(CO)c1)c1ccccc1 ZINC000271874347 330082627 /nfs/dbraw/zinc/08/26/27/330082627.db2.gz HADOGIXJZNBSJF-KXBFYZLASA-N 0 3 279.383 3.594 20 30 CHEDHN C#CC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000273474208 330093067 /nfs/dbraw/zinc/09/30/67/330093067.db2.gz KHPHDLKQXOXBQW-KBXCAEBGSA-N 0 3 295.382 3.816 20 30 CHEDHN C#CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000273474208 330093068 /nfs/dbraw/zinc/09/30/68/330093068.db2.gz KHPHDLKQXOXBQW-KBXCAEBGSA-N 0 3 295.382 3.816 20 30 CHEDHN C#CC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000273474214 330093182 /nfs/dbraw/zinc/09/31/82/330093182.db2.gz KHPHDLKQXOXBQW-RDTXWAMCSA-N 0 3 295.382 3.816 20 30 CHEDHN C#CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000273474214 330093184 /nfs/dbraw/zinc/09/31/84/330093184.db2.gz KHPHDLKQXOXBQW-RDTXWAMCSA-N 0 3 295.382 3.816 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000572446649 330093340 /nfs/dbraw/zinc/09/33/40/330093340.db2.gz ALCXHVIXASIEQJ-CVEARBPZSA-N 0 3 297.427 3.831 20 30 CHEDHN C=C(C)CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000274760714 330107576 /nfs/dbraw/zinc/10/75/76/330107576.db2.gz DKDDZTSCCCFWJF-CQSZACIVSA-N 0 3 299.418 3.902 20 30 CHEDHN C=CCC[C@@H](NCC(C)(C)C[C@H](C)O)c1ccco1 ZINC000276443511 330113674 /nfs/dbraw/zinc/11/36/74/330113674.db2.gz KONAXIYZVDZNIO-UONOGXRCSA-N 0 3 265.397 3.674 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000276842208 330114700 /nfs/dbraw/zinc/11/47/00/330114700.db2.gz CDUUNFKZPZSEBR-ZDEQEGDKSA-N 0 3 264.417 3.570 20 30 CHEDHN C#CC(C)(C)N(C)Cc1ccc(OCc2ccccn2)cc1 ZINC000279207189 330122250 /nfs/dbraw/zinc/12/22/50/330122250.db2.gz GRGORWVDBVDBPH-UHFFFAOYSA-N 0 3 294.398 3.504 20 30 CHEDHN CC(C)C[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000396778141 330225950 /nfs/dbraw/zinc/22/59/50/330225950.db2.gz KNAOSXMNQAETCV-OAHLLOKOSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)ccn1 ZINC000527532428 330262578 /nfs/dbraw/zinc/26/25/78/330262578.db2.gz FTUWLIKBLIFWHF-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN CC[C@@H](N[C@@H]1C[C@]1(C)OC(C)C)c1ccc(C#N)cc1 ZINC000528003772 330300365 /nfs/dbraw/zinc/30/03/65/330300365.db2.gz CJJIDPQMKURBNT-ZACQAIPSSA-N 0 3 272.392 3.555 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000424187230 330319999 /nfs/dbraw/zinc/31/99/99/330319999.db2.gz ANNIRTIZRZIRSE-TVQRCGJNSA-N 0 3 269.175 3.775 20 30 CHEDHN C=CCOc1ccc(CN[C@H]2CC23CC3)cc1Cl ZINC000424185506 330320792 /nfs/dbraw/zinc/32/07/92/330320792.db2.gz PTARYQAAZGIINR-AWEZNQCLSA-N 0 3 263.768 3.547 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cnc(-c3ccccc3)s2)C1 ZINC000424188867 330321963 /nfs/dbraw/zinc/32/19/63/330321963.db2.gz CPJKIQRHUUIKIL-OCCSQVGLSA-N 0 3 283.400 3.592 20 30 CHEDHN N#Cc1ccc(CNCCc2cccc(Cl)c2)c(F)c1 ZINC000532990069 330323273 /nfs/dbraw/zinc/32/32/73/330323273.db2.gz OZRVPCRZDCGWLM-UHFFFAOYSA-N 0 3 288.753 3.683 20 30 CHEDHN CC(C)C[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000533005068 330324969 /nfs/dbraw/zinc/32/49/69/330324969.db2.gz VXVGDTQBTUGXJQ-KRWDZBQOSA-N 0 3 259.368 3.688 20 30 CHEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Br ZINC000424209051 330328126 /nfs/dbraw/zinc/32/81/26/330328126.db2.gz YXCWVOLKLLQMPV-WCQYABFASA-N 0 3 293.208 3.539 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(OC)cc1Cl ZINC000424299976 330337019 /nfs/dbraw/zinc/33/70/19/330337019.db2.gz WJUNQMBJPDIERN-MKBNYLNASA-N 0 3 295.810 3.590 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000424316200 330339513 /nfs/dbraw/zinc/33/95/13/330339513.db2.gz ATIPUEOMVCDWMW-LNSITVRQSA-N 0 3 290.794 3.836 20 30 CHEDHN COc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)c(F)c1 ZINC000424317835 330339672 /nfs/dbraw/zinc/33/96/72/330339672.db2.gz CIQYHCQUEPDZPB-PPHDSNJXSA-N 0 3 288.366 3.567 20 30 CHEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000424326591 330341275 /nfs/dbraw/zinc/34/12/75/330341275.db2.gz MEEMUUYYKZHAON-IPJQOSJUSA-N 0 3 272.367 3.731 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCSc3ccc(F)cc32)C1 ZINC000424328014 330341618 /nfs/dbraw/zinc/34/16/18/330341618.db2.gz NPNOZHRFZBCGFX-SUHUHFCYSA-N 0 3 276.380 3.644 20 30 CHEDHN Cc1nc(C(C)C)sc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424333520 330342971 /nfs/dbraw/zinc/34/29/71/330342971.db2.gz ULIOPXYDJQDNKI-WCFLWFBJSA-N 0 3 277.437 3.918 20 30 CHEDHN Cc1cccc(OCCN(C)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000533241748 330354470 /nfs/dbraw/zinc/35/44/70/330354470.db2.gz LQVMLVIBVIVWMK-INIZCTEOSA-N 0 3 294.398 3.939 20 30 CHEDHN Fc1ccc(C#CCN2CC[C@H](c3ccccc3)C2)cc1 ZINC000533326137 330357447 /nfs/dbraw/zinc/35/74/47/330357447.db2.gz MNSPDCLELJUCNI-SFHVURJKSA-N 0 3 279.358 3.667 20 30 CHEDHN C[C@H](c1ccco1)N(CCOc1ccccc1C#N)C1CC1 ZINC000119223032 330372090 /nfs/dbraw/zinc/37/20/90/330372090.db2.gz GPTVEVPQTBTHJQ-CQSZACIVSA-N 0 3 296.370 3.756 20 30 CHEDHN COc1ccc([C@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000537028063 330387109 /nfs/dbraw/zinc/38/71/09/330387109.db2.gz DUQKOUHQQCRVBX-AWEZNQCLSA-N 0 3 283.346 3.537 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000537275293 330430879 /nfs/dbraw/zinc/43/08/79/330430879.db2.gz KQKCIUBPXHBJIJ-QZTJIDSGSA-N 0 3 280.371 3.967 20 30 CHEDHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccc(C#N)cc1F ZINC000429425468 330546074 /nfs/dbraw/zinc/54/60/74/330546074.db2.gz FCDGMMXHBRRJKB-IAQYHMDHSA-N 0 3 258.340 3.681 20 30 CHEDHN N#CCC1(CN[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000430743920 330572369 /nfs/dbraw/zinc/57/23/69/330572369.db2.gz MCTWFVXUESELPN-CYBMUJFWSA-N 0 3 276.380 3.646 20 30 CHEDHN N#C[C@H]1CC[C@H](NCCOc2ccc3ccccc3c2)C1 ZINC000442709388 330780119 /nfs/dbraw/zinc/78/01/19/330780119.db2.gz AFPODMREAMXLNQ-YOEHRIQHSA-N 0 3 280.371 3.500 20 30 CHEDHN C=C(C)COCCNCc1ccc(C(F)(F)F)cc1C ZINC000442997948 330792554 /nfs/dbraw/zinc/79/25/54/330792554.db2.gz CPXJPXWAVROOOD-UHFFFAOYSA-N 0 3 287.325 3.696 20 30 CHEDHN C=C(CNCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000443965145 330807994 /nfs/dbraw/zinc/80/79/94/330807994.db2.gz MCRGCTRAAAPQDW-UHFFFAOYSA-N 0 3 262.356 3.670 20 30 CHEDHN CC1(C)CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000158903704 330838385 /nfs/dbraw/zinc/83/83/85/330838385.db2.gz YNZLGLQNXSRXBD-AWEZNQCLSA-N 0 3 260.356 3.756 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(F)c(C#N)c1 ZINC000445890551 330841181 /nfs/dbraw/zinc/84/11/81/330841181.db2.gz OIFFPJDQHASJJN-ZDUSSCGKSA-N 0 3 288.288 3.764 20 30 CHEDHN C=C(CNCc1ccnn1-c1ccccc1)c1ccccc1 ZINC000447929503 330880239 /nfs/dbraw/zinc/88/02/39/330880239.db2.gz IAVYGCNCFPPTIJ-UHFFFAOYSA-N 0 3 289.382 3.675 20 30 CHEDHN Cc1cnc([C@@H](NC2CCC(C)(C#N)CC2)C2CC2)s1 ZINC000449171343 330903432 /nfs/dbraw/zinc/90/34/32/330903432.db2.gz TUMABYQHBWVUAZ-BBBYJDLNSA-N 0 3 289.448 3.965 20 30 CHEDHN COc1cccc([C@H]2C[C@H](NCc3ccc(C#N)s3)C2)c1 ZINC000449617086 330940193 /nfs/dbraw/zinc/94/01/93/330940193.db2.gz GBDDXMKJVMGDAS-HDJSIYSDSA-N 0 3 298.411 3.664 20 30 CHEDHN C=C(CC)CNCc1ccccc1OCC(F)(F)F ZINC000449730057 330946166 /nfs/dbraw/zinc/94/61/66/330946166.db2.gz CNXMJYLQOSQBRC-UHFFFAOYSA-N 0 3 273.298 3.684 20 30 CHEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)CC(C)C ZINC000450983373 331010046 /nfs/dbraw/zinc/01/00/46/331010046.db2.gz QEBGKCRXATWMSS-AWEZNQCLSA-N 0 3 265.397 3.585 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCC1=CCCCC1)CC2 ZINC000453241896 331106139 /nfs/dbraw/zinc/10/61/39/331106139.db2.gz DTCUNUHZOKKKRD-KRWDZBQOSA-N 0 3 252.361 3.636 20 30 CHEDHN C[C@@H](NCC(C)(C)c1ccccn1)c1ccc(C#N)cc1F ZINC000453283837 331110932 /nfs/dbraw/zinc/11/09/32/331110932.db2.gz GXLLYVCWFIPYDE-CYBMUJFWSA-N 0 3 297.377 3.721 20 30 CHEDHN C=CC(C)(C)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000453306017 331113932 /nfs/dbraw/zinc/11/39/32/331113932.db2.gz IQTLCVXPORWXSQ-CQSZACIVSA-N 0 3 261.413 3.833 20 30 CHEDHN Cc1cccnc1CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000453306448 331114001 /nfs/dbraw/zinc/11/40/01/331114001.db2.gz JNQIEYNESOFKNG-AWEZNQCLSA-N 0 3 297.377 3.684 20 30 CHEDHN C=C(C)CCN[C@H](COC)c1cccc(Cl)c1F ZINC000453316300 331115543 /nfs/dbraw/zinc/11/55/43/331115543.db2.gz KAOSACGJLZNLRW-CYBMUJFWSA-N 0 3 271.763 3.722 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453323618 331116829 /nfs/dbraw/zinc/11/68/29/331116829.db2.gz RYZKSQGKHWMQQJ-NSHDSACASA-N 0 3 277.799 3.844 20 30 CHEDHN C=C(CC)CN[C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000453351214 331120669 /nfs/dbraw/zinc/12/06/69/331120669.db2.gz IDFBSHOZULAPTR-IBGZPJMESA-N 0 3 296.414 3.930 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cc(F)ccc1F ZINC000453353141 331121002 /nfs/dbraw/zinc/12/10/02/331121002.db2.gz MQXZVFZMILLBKB-OAGGEKHMSA-N 0 3 281.346 3.739 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000453355295 331121247 /nfs/dbraw/zinc/12/12/47/331121247.db2.gz LDGVDUQRNFDCDS-MCIONIFRSA-N 0 3 295.835 3.810 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1Cl ZINC000453365162 331123147 /nfs/dbraw/zinc/12/31/47/331123147.db2.gz SANITOLWIVTDFS-GLQYFDAESA-N 0 3 265.784 3.724 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(F)cc1Cl ZINC000453373734 331124524 /nfs/dbraw/zinc/12/45/24/331124524.db2.gz WQVRLDDKQMOOQJ-VQISRLSMSA-N 0 3 283.774 3.863 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](CC)c1cc(Cl)ccc1OC ZINC000453376400 331124917 /nfs/dbraw/zinc/12/49/17/331124917.db2.gz XBNJABSWDRUFPF-HIFRSBDPSA-N 0 3 297.826 3.716 20 30 CHEDHN CC[C@@H](NCCOCC1CCCC1)c1ccc(C#N)cc1 ZINC000453378856 331125404 /nfs/dbraw/zinc/12/54/04/331125404.db2.gz AIENFIVPZXJSEP-GOSISDBHSA-N 0 3 286.419 3.806 20 30 CHEDHN CC[C@H](NCCOC(C)(C)CC)c1ccc(C#N)cc1 ZINC000453407155 331129509 /nfs/dbraw/zinc/12/95/09/331129509.db2.gz LRELTYKXMPBWRI-INIZCTEOSA-N 0 3 274.408 3.804 20 30 CHEDHN C[C@H](CC(C)(C)C)NC(=O)C(C#N)CCc1ccccc1 ZINC000457184618 331214361 /nfs/dbraw/zinc/21/43/61/331214361.db2.gz BIPKGXWFJBXSIQ-ZBFHGGJFSA-N 0 3 286.419 3.700 20 30 CHEDHN Cc1ccc(CNCC(C)(C)CC#N)cc1Br ZINC000459684211 331294203 /nfs/dbraw/zinc/29/42/03/331294203.db2.gz BSMOGZUIXAQRCG-UHFFFAOYSA-N 0 3 295.224 3.787 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(-c2ccccc2)o1 ZINC000459687717 331294569 /nfs/dbraw/zinc/29/45/69/331294569.db2.gz HBBUIJVUPPCXQX-UHFFFAOYSA-N 0 3 268.360 3.976 20 30 CHEDHN CN(CC1(C#N)CCC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459714354 331295424 /nfs/dbraw/zinc/29/54/24/331295424.db2.gz VACSEJRTIXAQOG-DLBZAZTESA-N 0 3 268.404 3.948 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459717338 331295486 /nfs/dbraw/zinc/29/54/86/331295486.db2.gz WWIIZHLAFQHUJV-REJLFOLJSA-N 0 3 295.448 3.511 20 30 CHEDHN Cc1ccc(CNCC(C)(C)CC#N)cc1Cl ZINC000459736222 331296811 /nfs/dbraw/zinc/29/68/11/331296811.db2.gz UDMOUSIILWOYEB-UHFFFAOYSA-N 0 3 250.773 3.678 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000459738881 331297214 /nfs/dbraw/zinc/29/72/14/331297214.db2.gz YGDVDONZUDDUNQ-UHFFFAOYSA-N 0 3 295.308 3.607 20 30 CHEDHN N#Cc1c(F)cccc1CNC1(C2CCC2)CCC1 ZINC000459746035 331297881 /nfs/dbraw/zinc/29/78/81/331297881.db2.gz BFZAWJDIXWEKLV-UHFFFAOYSA-N 0 3 258.340 3.510 20 30 CHEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000166723365 331307655 /nfs/dbraw/zinc/30/76/55/331307655.db2.gz KEVLJJIGZIHQKB-AGIUHOORSA-N 0 3 260.356 3.564 20 30 CHEDHN C=CCOc1ccc(CN(CC)C[C@@H](C)OC)cc1Cl ZINC000462833852 331332016 /nfs/dbraw/zinc/33/20/16/331332016.db2.gz QQOMAKNEVSYKMU-CYBMUJFWSA-N 0 3 297.826 3.762 20 30 CHEDHN N#Cc1cccc(CCNCc2sccc2Cl)c1 ZINC000466420867 331396166 /nfs/dbraw/zinc/39/61/66/331396166.db2.gz HSWNAXPUJLQPGL-UHFFFAOYSA-N 0 3 276.792 3.605 20 30 CHEDHN C=CCCCCNCc1nc2cc(Cl)ccc2n1C ZINC000472044069 331526987 /nfs/dbraw/zinc/52/69/87/331526987.db2.gz RYTZBSXNMJBZHT-UHFFFAOYSA-N 0 3 277.799 3.673 20 30 CHEDHN C=CCOc1ccccc1CNC[C@H](C)C(F)(F)F ZINC000479588585 331739227 /nfs/dbraw/zinc/73/92/27/331739227.db2.gz JQNLCGCGMAZJFB-NSHDSACASA-N 0 3 273.298 3.539 20 30 CHEDHN C=C(C)[C@H](N[C@H](C)[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000480664016 331782618 /nfs/dbraw/zinc/78/26/18/331782618.db2.gz WPCOZDPTLUGHAP-RLCCDNCMSA-N 0 3 281.346 3.739 20 30 CHEDHN N#CC1(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000481204778 331800956 /nfs/dbraw/zinc/80/09/56/331800956.db2.gz UVPYZBWLCHVSKP-SJORKVTESA-N 0 3 268.404 3.681 20 30 CHEDHN CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC000484022716 331891561 /nfs/dbraw/zinc/89/15/61/331891561.db2.gz XURVAUOWGQHIMV-CYBMUJFWSA-N 0 3 288.288 3.764 20 30 CHEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1cccc(Cl)c1 ZINC000489404731 332050500 /nfs/dbraw/zinc/05/05/00/332050500.db2.gz MVCMPOUKDXSPAU-OAHLLOKOSA-N 0 3 292.810 3.709 20 30 CHEDHN CN(Cc1ccc(Cl)cc1C#N)C1(C)CCCC1 ZINC000489875949 332071406 /nfs/dbraw/zinc/07/14/06/332071406.db2.gz SNVIBVMGILIWJZ-UHFFFAOYSA-N 0 3 262.784 3.976 20 30 CHEDHN C=C(C)CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490015005 332076711 /nfs/dbraw/zinc/07/67/11/332076711.db2.gz RQZFCNFJBXDHKZ-ZDUSSCGKSA-N 0 3 276.449 3.777 20 30 CHEDHN C[C@H](N[C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000512668198 332979070 /nfs/dbraw/zinc/97/90/70/332979070.db2.gz TWLBLVDTAIXECU-WCQYABFASA-N 0 3 260.356 3.927 20 30 CHEDHN C=CCCCC(=O)Nc1cccc(CN(CC)CC)c1 ZINC000175256574 333018617 /nfs/dbraw/zinc/01/86/17/333018617.db2.gz HQGZTEQJWCDJDE-UHFFFAOYSA-N 0 3 274.408 3.823 20 30 CHEDHN C=CCCN[C@H](C)c1ccc(Br)cc1OC ZINC000309912909 333051360 /nfs/dbraw/zinc/05/13/60/333051360.db2.gz NTRBMNQFFRYEHG-SNVBAGLBSA-N 0 3 284.197 3.684 20 30 CHEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000178053690 333067222 /nfs/dbraw/zinc/06/72/22/333067222.db2.gz UKBCLBUAACNUNW-JKSUJKDBSA-N 0 3 279.811 3.804 20 30 CHEDHN N#Cc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000311968125 333075156 /nfs/dbraw/zinc/07/51/56/333075156.db2.gz AOAMDDLSTSLKEI-ZIAGYGMSSA-N 0 3 274.795 3.834 20 30 CHEDHN CC[C@H](CC#N)NCCCCCn1c(C)nc2ccccc21 ZINC000516876102 333085179 /nfs/dbraw/zinc/08/51/79/333085179.db2.gz NAHBDGXXTNITON-MRXNPFEDSA-N 0 3 298.434 3.797 20 30 CHEDHN N#CCCC1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000517232733 333095509 /nfs/dbraw/zinc/09/55/09/333095509.db2.gz HYQLKRLIEWOEQM-UHFFFAOYSA-N 0 3 294.345 3.804 20 30 CHEDHN C[C@H]1CCCC[C@@H]1N(C)Cc1cccc(C#N)c1F ZINC000218075165 333126650 /nfs/dbraw/zinc/12/66/50/333126650.db2.gz IVWQHIDWNLIEND-WFASDCNBSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000185406206 333140105 /nfs/dbraw/zinc/14/01/05/333140105.db2.gz QOWRWVUTPYWNPG-NVXWUHKLSA-N 0 3 298.430 3.600 20 30 CHEDHN C[C@@H](CC#N)N(C)CC1CCC(C(F)(F)F)CC1 ZINC000185509641 333142340 /nfs/dbraw/zinc/14/23/40/333142340.db2.gz GZHZZTWNCZNIEQ-UNXYVOJBSA-N 0 3 262.319 3.589 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)NCc1nc2cc(C)ccc2n1C ZINC000187575460 333172619 /nfs/dbraw/zinc/17/26/19/333172619.db2.gz HSSXILRHOYXXLL-KGLIPLIRSA-N 0 3 271.408 3.572 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2nccs2)C1 ZINC000187669591 333173553 /nfs/dbraw/zinc/17/35/53/333173553.db2.gz QHXLMGOATICDMG-BBRMVZONSA-N 0 3 297.427 3.955 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000189340594 333190652 /nfs/dbraw/zinc/19/06/52/333190652.db2.gz DOFADRIRZWNRLV-CQSZACIVSA-N 0 3 250.345 3.751 20 30 CHEDHN CC(C)[C@@H](CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000190414127 333206593 /nfs/dbraw/zinc/20/65/93/333206593.db2.gz ABMDZIILKFUGDU-MRXNPFEDSA-N 0 3 282.387 3.756 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000223627738 333210140 /nfs/dbraw/zinc/21/01/40/333210140.db2.gz PMHNQDQLCOOHRP-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN CCS[C@@H]1CC[C@@H](N(C)CC#Cc2ccccc2)C1 ZINC000192049135 333228657 /nfs/dbraw/zinc/22/86/57/333228657.db2.gz IMEUOYUWSWALDT-IAGOWNOFSA-N 0 3 273.445 3.644 20 30 CHEDHN CC[C@@H](NCC#Cc1ccccc1)c1ccc(OC)cc1 ZINC000192147882 333230939 /nfs/dbraw/zinc/23/09/39/333230939.db2.gz BVTFYYAFOVKILK-LJQANCHMSA-N 0 3 279.383 3.788 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1cccs1 ZINC000192176774 333231778 /nfs/dbraw/zinc/23/17/78/333231778.db2.gz NCUOICFTAZPLOI-CQSZACIVSA-N 0 3 274.364 4.000 20 30 CHEDHN C=CCSCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000194091313 333265113 /nfs/dbraw/zinc/26/51/13/333265113.db2.gz PDARGWQWUYXAJG-CQSZACIVSA-N 0 3 285.840 3.536 20 30 CHEDHN CN(Cc1ccccc1C#N)[C@H]1CCc2ccccc2C1 ZINC000522268124 333276917 /nfs/dbraw/zinc/27/69/17/333276917.db2.gz ZSDZHPYKFUSCMK-IBGZPJMESA-N 0 3 276.383 3.548 20 30 CHEDHN C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)cc2F)C1 ZINC000227596535 333286477 /nfs/dbraw/zinc/28/64/77/333286477.db2.gz FCVNIJCGHFCUMY-TZMCWYRMSA-N 0 3 260.356 3.613 20 30 CHEDHN C=CCCOCCNCc1ccc(C(C)(C)C)cc1 ZINC000229879710 333310804 /nfs/dbraw/zinc/31/08/04/333310804.db2.gz KYJCFWOIVSKWGX-UHFFFAOYSA-N 0 3 261.409 3.666 20 30 CHEDHN CC(C)(C)[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000230142238 333314812 /nfs/dbraw/zinc/31/48/12/333314812.db2.gz HDLQDJPQPQUTOR-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN C=CCSCCNCc1sccc1Br ZINC000231357931 333324848 /nfs/dbraw/zinc/32/48/48/333324848.db2.gz KZVRFNJTFLFVFA-UHFFFAOYSA-N 0 3 292.267 3.519 20 30 CHEDHN C=CCSCCNCc1ccc(C)c(Cl)c1 ZINC000235777686 333372205 /nfs/dbraw/zinc/37/22/05/333372205.db2.gz OMYDAJGEXKEPRI-UHFFFAOYSA-N 0 3 255.814 3.657 20 30 CHEDHN C[C@@H](NCc1ccnc2ccccc12)c1ccc(C#N)cc1 ZINC000315905135 333384402 /nfs/dbraw/zinc/38/44/02/333384402.db2.gz UBMNQCKDOYIUEW-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN C[C@H](NCc1ccnc2ccccc12)c1ccc(C#N)cc1 ZINC000315905133 333384430 /nfs/dbraw/zinc/38/44/30/333384430.db2.gz UBMNQCKDOYIUEW-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(C#N)cc1F ZINC000524757181 333387182 /nfs/dbraw/zinc/38/71/82/333387182.db2.gz JSZJAAJQMZHZIO-IFIJOSMWSA-N 0 3 272.367 3.850 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000575985168 335138207 /nfs/dbraw/zinc/13/82/07/335138207.db2.gz RVETZGIEBNKSOB-IVMMDQJWSA-N 0 3 276.811 3.800 20 30 CHEDHN CC#CCN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000525119545 333399238 /nfs/dbraw/zinc/39/92/38/333399238.db2.gz NENRYJHBCJPYAF-NSHDSACASA-N 0 3 255.283 3.722 20 30 CHEDHN C=CCN[C@H](COc1ccccc1F)c1ccccc1 ZINC000538169057 333577598 /nfs/dbraw/zinc/57/75/98/333577598.db2.gz BXUCPUWZNUQXCL-MRXNPFEDSA-N 0 3 271.335 3.721 20 30 CHEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000538194765 333578448 /nfs/dbraw/zinc/57/84/48/333578448.db2.gz LKUTZFSQHJDDRB-MNOVXSKESA-N 0 3 288.218 3.829 20 30 CHEDHN CC(C)(CNCc1ccc(C#N)cc1F)c1cccs1 ZINC000127635481 333633442 /nfs/dbraw/zinc/63/34/42/333633442.db2.gz HTSJWTLSKIFQDX-UHFFFAOYSA-N 0 3 288.391 3.826 20 30 CHEDHN C=CC[C@H](C)NCc1cc(OC)ccc1Br ZINC000128156018 333643427 /nfs/dbraw/zinc/64/34/27/333643427.db2.gz WDEXYWRXGALCGW-JTQLQIEISA-N 0 3 284.197 3.512 20 30 CHEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(Cl)ccc1OCC ZINC000539296476 333664551 /nfs/dbraw/zinc/66/45/51/333664551.db2.gz BCUNBFIAIJBZGE-STQMWFEESA-N 0 3 297.826 3.574 20 30 CHEDHN CCCCO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000539512154 333675686 /nfs/dbraw/zinc/67/56/86/333675686.db2.gz MXVAXNYUJOBRLH-CABCVRRESA-N 0 3 292.448 3.693 20 30 CHEDHN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1F ZINC000174431715 335154624 /nfs/dbraw/zinc/15/46/24/335154624.db2.gz HZIQKSCSURKDFD-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN Cc1cccc(O[C@H](C)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000540593666 333736643 /nfs/dbraw/zinc/73/66/43/333736643.db2.gz NBIXXCOCJHCUJM-HZPDHXFCSA-N 0 3 294.398 3.985 20 30 CHEDHN C[C@H](NCc1ccccc1C#N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000541688149 333786920 /nfs/dbraw/zinc/78/69/20/333786920.db2.gz SQNULMHLABQLBK-BIENJYKASA-N 0 3 292.382 3.601 20 30 CHEDHN C=CCCC[C@H](C)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000543545085 333879950 /nfs/dbraw/zinc/87/99/50/333879950.db2.gz HDJVGMWYJOPYBI-GJZGRUSLSA-N 0 3 284.407 3.663 20 30 CHEDHN C=CC[C@@H](CC)NCc1csc(-c2ccccn2)n1 ZINC000341428130 335169106 /nfs/dbraw/zinc/16/91/06/335169106.db2.gz BRMNONYKBGHZQS-GFCCVEGCSA-N 0 3 273.405 3.649 20 30 CHEDHN C=CCCc1nc(-c2ccccc2CN2CCCCC2)no1 ZINC000546412107 334031388 /nfs/dbraw/zinc/03/13/88/334031388.db2.gz FRAIUJWCVXMFOA-UHFFFAOYSA-N 0 3 297.402 3.841 20 30 CHEDHN C=CCSCCNCc1ccc(-c2ccccc2)o1 ZINC000236688153 334065097 /nfs/dbraw/zinc/06/50/97/334065097.db2.gz WXKQBGGNMWLXRW-UHFFFAOYSA-N 0 3 273.401 3.955 20 30 CHEDHN N#Cc1ccc(CNCCc2ccc(Cl)cc2Cl)o1 ZINC000135121753 334116455 /nfs/dbraw/zinc/11/64/55/334116455.db2.gz LQJHFBWKRWWGIF-UHFFFAOYSA-N 0 3 295.169 3.790 20 30 CHEDHN C[C@H]1SCCN(Cc2ccccc2C(C)(C)C#N)[C@@H]1C ZINC000135239498 334121436 /nfs/dbraw/zinc/12/14/36/334121436.db2.gz ZDNUWOGATWEWFE-ZIAGYGMSSA-N 0 3 288.460 3.814 20 30 CHEDHN C[C@H]1SCCN(Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000135239522 334121455 /nfs/dbraw/zinc/12/14/55/334121455.db2.gz ZDNUWOGATWEWFE-UONOGXRCSA-N 0 3 288.460 3.814 20 30 CHEDHN N#Cc1ccc(CNCCSc2ccccc2)s1 ZINC000135671905 334135923 /nfs/dbraw/zinc/13/59/23/334135923.db2.gz GFLRVNKRZZMILI-UHFFFAOYSA-N 0 3 274.414 3.502 20 30 CHEDHN CC[C@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000079054666 334146745 /nfs/dbraw/zinc/14/67/45/334146745.db2.gz FVYFQWKKEXSTQF-ZDUSSCGKSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCOCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000549929662 334209395 /nfs/dbraw/zinc/20/93/95/334209395.db2.gz KPKRQYRAKKJCEK-DAXOMENPSA-N 0 3 279.811 3.829 20 30 CHEDHN C=CCC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000551240296 334242493 /nfs/dbraw/zinc/24/24/93/334242493.db2.gz ITZALFQYFIHJST-LBPRGKRZSA-N 0 3 260.356 3.950 20 30 CHEDHN C=CCC[C@H](NC[C@](C)(O)[C@@H](C)CC)c1ccco1 ZINC000552043763 334280520 /nfs/dbraw/zinc/28/05/20/334280520.db2.gz BDSDASUEANMPTP-DZKIICNBSA-N 0 3 265.397 3.674 20 30 CHEDHN CC1(C)CN(Cc2ccc(C#N)s2)[C@@H]2CCC[C@@H]21 ZINC000552139688 334294295 /nfs/dbraw/zinc/29/42/95/334294295.db2.gz RVXHQUJQCCDFNG-UONOGXRCSA-N 0 3 260.406 3.630 20 30 CHEDHN C=CCC[C@H](N[C@H]1C[C@@H](OC)C1(C)C)c1ccco1 ZINC000552268542 334310402 /nfs/dbraw/zinc/31/04/02/334310402.db2.gz OZDABFYKPUUHCL-AEGPPILISA-N 0 3 263.381 3.690 20 30 CHEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1F ZINC000248906160 334321520 /nfs/dbraw/zinc/32/15/20/334321520.db2.gz UVRWYOKYAXENCF-TUAOUCFPSA-N 0 3 264.319 3.698 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000249273263 334330648 /nfs/dbraw/zinc/33/06/48/334330648.db2.gz LDGPGDIHIYBXLW-DNVCBOLYSA-N 0 3 291.398 3.806 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cc(C)ccc1OC(F)F ZINC000090450734 334361266 /nfs/dbraw/zinc/36/12/66/334361266.db2.gz KNWOMIXQDQPNMS-CYBMUJFWSA-N 0 3 299.361 3.840 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1csc(CC)n1 ZINC000553612300 334393444 /nfs/dbraw/zinc/39/34/44/334393444.db2.gz WRIAOOZSLDAZSJ-GFCCVEGCSA-N 0 3 252.427 3.930 20 30 CHEDHN C=CCN1CCC(Nc2nccc3ccc(C)cc32)CC1 ZINC000564893004 334526443 /nfs/dbraw/zinc/52/64/43/334526443.db2.gz QJCBFFOVGPXZQJ-UHFFFAOYSA-N 0 3 281.403 3.606 20 30 CHEDHN COc1cccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000568776632 334840588 /nfs/dbraw/zinc/84/05/88/334840588.db2.gz WOQZDFNXCRYADC-YJYMSZOUSA-N 0 3 292.382 3.905 20 30 CHEDHN C=C(CC)CN1CCC(N(C)c2ccccc2)CC1 ZINC000573154359 334913259 /nfs/dbraw/zinc/91/32/59/334913259.db2.gz WJNGQPVEFTWYNI-UHFFFAOYSA-N 0 3 258.409 3.553 20 30 CHEDHN COc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000576674932 335233416 /nfs/dbraw/zinc/23/34/16/335233416.db2.gz ZODOHERLIHWERS-BFUOFWGJSA-N 0 3 292.382 3.905 20 30 CHEDHN CC#CCNC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000577114967 335302712 /nfs/dbraw/zinc/30/27/12/335302712.db2.gz KOZHZBJZJSXPSB-UHFFFAOYSA-N 0 3 255.283 3.553 20 30 CHEDHN C=CCC[C@@H](N[C@@H](CO)Cc1cccc(C)c1)c1ccco1 ZINC000577382873 335345877 /nfs/dbraw/zinc/34/58/77/335345877.db2.gz QRWRKNIRUBUXQK-QZTJIDSGSA-N 0 3 299.414 3.789 20 30 CHEDHN N#Cc1ccc(CNCCc2cc3ccccc3o2)s1 ZINC000176973738 335350696 /nfs/dbraw/zinc/35/06/96/335350696.db2.gz PXAOVCUDWVQIOY-UHFFFAOYSA-N 0 3 282.368 3.698 20 30 CHEDHN CC(C)c1nc(CCNCc2cc(C#N)cs2)cs1 ZINC000177694577 335379420 /nfs/dbraw/zinc/37/94/20/335379420.db2.gz UZWVYLPYRHBTFH-UHFFFAOYSA-N 0 3 291.445 3.532 20 30 CHEDHN CC(C)[C@@H](CNCc1cc(C#N)cs1)Nc1ccccc1 ZINC000177697923 335379841 /nfs/dbraw/zinc/37/98/41/335379841.db2.gz XMPYSCJCBKQEKV-QGZVFWFLSA-N 0 3 299.443 3.846 20 30 CHEDHN COc1cc(CN[C@H](c2cccs2)C2CC2)ccc1C#N ZINC000579651458 335835316 /nfs/dbraw/zinc/83/53/16/335835316.db2.gz GZCYLHMERZMPRM-KRWDZBQOSA-N 0 3 298.411 3.869 20 30 CHEDHN CC(C)[C@H](NCCCC#N)c1ccccc1Cl ZINC000183703569 335902306 /nfs/dbraw/zinc/90/23/06/335902306.db2.gz PEDUXKABWYBNEK-AWEZNQCLSA-N 0 3 250.773 3.930 20 30 CHEDHN C=CCOc1ccccc1CNCC(CC)(CC)OC ZINC000380752069 336025897 /nfs/dbraw/zinc/02/58/97/336025897.db2.gz VYHYJZCEWDYIIU-UHFFFAOYSA-N 0 3 277.408 3.546 20 30 CHEDHN CC(C)(C#N)CCN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000383122354 336104496 /nfs/dbraw/zinc/10/44/96/336104496.db2.gz ZMDGTYJOYHAJGG-UHFFFAOYSA-N 0 3 299.462 3.523 20 30 CHEDHN C=CC(C)(C)CN[C@H](c1ccccc1)c1ccccn1 ZINC000384855757 336133093 /nfs/dbraw/zinc/13/30/93/336133093.db2.gz MUKGGWBQUORTIE-QGZVFWFLSA-N 0 3 266.388 3.973 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000581985300 336184907 /nfs/dbraw/zinc/18/49/07/336184907.db2.gz ARTCXUNQMMJDKN-OAGGEKHMSA-N 0 3 277.795 3.651 20 30 CHEDHN C=CCCCN[C@H](C)c1cc(Br)ncc1F ZINC000279835123 518701652 /nfs/dbraw/zinc/70/16/52/518701652.db2.gz CKGGCPFBJQXJRO-SECBINFHSA-N 0 3 287.176 3.600 20 30 CHEDHN CCC(=O)CCCN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000290119931 521071425 /nfs/dbraw/zinc/07/14/25/521071425.db2.gz UDYYJGGVNRMPCI-CQSZACIVSA-N 0 3 272.392 3.700 20 30 CHEDHN COc1cc(CN[C@H](C)c2sccc2C)ccc1C#N ZINC000353650495 522487520 /nfs/dbraw/zinc/48/75/20/522487520.db2.gz RCHUYQOEYIKMAC-GFCCVEGCSA-N 0 3 286.400 3.788 20 30 CHEDHN CCc1ccc([C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000276591981 524032797 /nfs/dbraw/zinc/03/27/97/524032797.db2.gz JTQZRCVOZAOSBW-KUHUBIRLSA-N 0 3 294.398 3.505 20 30 CHEDHN C[C@H](c1cccs1)N(C)Cc1cccc(C#N)c1 ZINC000042227083 526152774 /nfs/dbraw/zinc/15/27/74/526152774.db2.gz LHVMLXAAKPGSGV-GFCCVEGCSA-N 0 3 256.374 3.813 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CCCO2 ZINC000151383236 526210447 /nfs/dbraw/zinc/21/04/47/526210447.db2.gz JWZVATCDCNMHSH-GOSISDBHSA-N 0 3 292.382 3.870 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3ccc(F)cc32)s1 ZINC000279798040 526626824 /nfs/dbraw/zinc/62/68/24/526626824.db2.gz NCPCZZCMRCAUKR-INIZCTEOSA-N 0 3 286.375 3.926 20 30 CHEDHN C=C1CCN(CC[C@@H](C)OCc2ccccc2)CC1 ZINC000354884418 526903003 /nfs/dbraw/zinc/90/30/03/526903003.db2.gz SHLYEELSBPBPLS-MRXNPFEDSA-N 0 3 259.393 3.634 20 30 CHEDHN C=CCCCN(C)Cc1cnc(-c2ccncc2)s1 ZINC000353701130 527192015 /nfs/dbraw/zinc/19/20/15/527192015.db2.gz ZOJSBBLMNCCUJM-UHFFFAOYSA-N 0 3 273.405 3.603 20 30 CHEDHN C=CCCOCCN[C@@H]1CCCc2c(Cl)cccc21 ZINC000349782584 527368785 /nfs/dbraw/zinc/36/87/85/527368785.db2.gz ZFQGHLPFNIQXDQ-MRXNPFEDSA-N 0 3 279.811 3.900 20 30 CHEDHN C=CCC[C@H](NCCCOC(F)F)c1ccco1 ZINC000353597490 527483810 /nfs/dbraw/zinc/48/38/10/527483810.db2.gz SUKRVOBEIWBFQZ-NSHDSACASA-N 0 3 259.296 3.506 20 30 CHEDHN CC1(C2CC2)CCN(Cc2cccc(C#N)c2)CC1 ZINC000352176490 527905771 /nfs/dbraw/zinc/90/57/71/527905771.db2.gz PLBKJYXXUGJCTN-UHFFFAOYSA-N 0 3 254.377 3.570 20 30 CHEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)cs2)C1(CC)CC ZINC000344693282 528142902 /nfs/dbraw/zinc/14/29/02/528142902.db2.gz IRWHNIOZYILTKG-GJZGRUSLSA-N 0 3 292.448 3.693 20 30 CHEDHN CC(C)COc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000192728436 528173146 /nfs/dbraw/zinc/17/31/46/528173146.db2.gz IMBMXCQKGUUJBM-DOTOQJQBSA-N 0 3 286.419 3.893 20 30 CHEDHN CCC(CC)CN(CCC#N)CC1(SC)CC1 ZINC000347784897 528750171 /nfs/dbraw/zinc/75/01/71/528750171.db2.gz MGIUXRMZSMHCOY-UHFFFAOYSA-N 0 3 254.443 3.534 20 30 CHEDHN CC(C)N(CCCC#N)Cc1ccc(Br)cc1 ZINC000353433717 528880527 /nfs/dbraw/zinc/88/05/27/528880527.db2.gz HOADGHAMIJGWHK-UHFFFAOYSA-N 0 3 295.224 3.963 20 30 CHEDHN CC[C@@H](NCc1ccc2cc[nH]c2n1)c1ccc(C#N)cc1 ZINC000353612220 529185135 /nfs/dbraw/zinc/18/51/35/529185135.db2.gz RNRNVRIYXPLZPT-QGZVFWFLSA-N 0 3 290.370 3.675 20 30 CHEDHN C=CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022463124 567850511 /nfs/dbraw/zinc/85/05/11/567850511.db2.gz QWGCFVBATALVAQ-UHFFFAOYSA-N 0 3 292.426 3.580 20 30 CHEDHN CCC(CC)(CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001344982953 1117805877 /nfs/dbraw/zinc/80/58/77/1117805877.db2.gz GOTHROBEVVLHEU-LLVKDONJSA-N 0 3 280.318 3.752 20 30 CHEDHN Cc1nc2ccc(Nc3c(C)cccc3C#N)cc2[nH]1 ZINC001213075125 1125482062 /nfs/dbraw/zinc/48/20/62/1125482062.db2.gz FFNULBNPLIMARX-UHFFFAOYSA-N 0 3 262.316 3.795 20 30 CHEDHN Cc1nc2ccc(Nc3ccc(C#N)c(C)c3)cc2[nH]1 ZINC001213075124 1125483314 /nfs/dbraw/zinc/48/33/14/1125483314.db2.gz FDWTWCMDSAURHR-UHFFFAOYSA-N 0 3 262.316 3.795 20 30 CHEDHN Cc1cc(CN2CCC[C@@H](C#N)CC2)cc(C)c1F ZINC001143382247 1118517470 /nfs/dbraw/zinc/51/74/70/1118517470.db2.gz XTHSBIJIYYFUBI-CQSZACIVSA-N 0 3 260.356 3.568 20 30 CHEDHN CCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000048811192 1125487973 /nfs/dbraw/zinc/48/79/73/1125487973.db2.gz BHVDBHVOSZKLTC-UHFFFAOYSA-N 0 3 280.371 3.589 20 30 CHEDHN Cc1ccc([C@@H]2CCC[C@@H]2NCC2(C#N)CC2)cc1 ZINC000584875998 1120475518 /nfs/dbraw/zinc/47/55/18/1120475518.db2.gz LUYGCTZADQVQRM-HOTGVXAUSA-N 0 3 254.377 3.525 20 30 CHEDHN C=CCN(Cc1cc(OC(C)C)ccn1)C(C)(C)C ZINC000661757390 1120809931 /nfs/dbraw/zinc/80/99/31/1120809931.db2.gz HSLWIRCMIYWHJV-UHFFFAOYSA-N 0 3 262.397 3.655 20 30 CHEDHN C=CCC1(C[NH2+]Cc2ccc([O-])c(F)c2)CCCC1 ZINC001205788760 1122933719 /nfs/dbraw/zinc/93/37/19/1122933719.db2.gz GCJQNWZLXYVEGA-UHFFFAOYSA-N 0 3 263.356 3.757 20 30 CHEDHN C[C@@H](CC#N)NCC1CCC(c2ccccc2)CC1 ZINC000067407559 1123179994 /nfs/dbraw/zinc/17/99/94/1123179994.db2.gz SHTJKFQISYMEKQ-UQPPLGOBSA-N 0 3 256.393 3.852 20 30 CHEDHN C=CC(C)(C)CC(=O)Nc1ccc(C)cc1CN(C)C ZINC000878846839 1125181745 /nfs/dbraw/zinc/18/17/45/1125181745.db2.gz MSVLPVBSYMRVNG-UHFFFAOYSA-N 0 3 274.408 3.597 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(OCC)cc1OCC ZINC001138979304 1131568595 /nfs/dbraw/zinc/56/85/95/1131568595.db2.gz BIEDFUXAFSIJLW-UHFFFAOYSA-N 0 3 277.408 3.882 20 30 CHEDHN C=CCN(Cc1cc(C(F)(F)F)ccn1)C(C)(C)C ZINC001140109487 1131664137 /nfs/dbraw/zinc/66/41/37/1131664137.db2.gz NBHQVACTAWJWGK-UHFFFAOYSA-N 0 3 272.314 3.887 20 30 CHEDHN C[C@@H]1C[C@H](C)CN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140602176 1131823999 /nfs/dbraw/zinc/82/39/99/1131823999.db2.gz FYPQSSUHPJRDIR-TXEJJXNPSA-N 0 3 262.784 3.690 20 30 CHEDHN C[C@@H]1C[C@H](C)CN(Cc2cccc(C#N)c2Cl)C1 ZINC001140809939 1131932425 /nfs/dbraw/zinc/93/24/25/1131932425.db2.gz NSWCMZHMCIXFIO-TXEJJXNPSA-N 0 3 262.784 3.690 20 30 CHEDHN CCCN(CCC#N)[C@@H](C)CCc1ccc(C)cc1 ZINC001171673092 1132075369 /nfs/dbraw/zinc/07/53/69/1132075369.db2.gz FBCYJBRVQPLLGU-INIZCTEOSA-N 0 3 258.409 3.942 20 30 CHEDHN C=CCOCCCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000348361837 1125648780 /nfs/dbraw/zinc/64/87/80/1125648780.db2.gz HTCVWHWCOABVGZ-IBGZPJMESA-N 0 3 296.414 3.662 20 30 CHEDHN C#CC[C@@H]1CCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000886358362 1125672653 /nfs/dbraw/zinc/67/26/53/1125672653.db2.gz TYCVIIQRPDYOQT-LSDHHAIUSA-N 0 3 280.371 3.748 20 30 CHEDHN CC(C)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000037501711 1125709978 /nfs/dbraw/zinc/70/99/78/1125709978.db2.gz URJFELJLLOCUHO-UHFFFAOYSA-N 0 3 264.372 3.971 20 30 CHEDHN C=CCC1(O)CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000886761262 1125714004 /nfs/dbraw/zinc/71/40/04/1125714004.db2.gz AFCFDKNHPGMDEH-ZDUSSCGKSA-N 0 3 279.811 3.804 20 30 CHEDHN C=CCC1(O)CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000886761594 1125714464 /nfs/dbraw/zinc/71/44/64/1125714464.db2.gz HKSGLTZGGNATBI-CYBMUJFWSA-N 0 3 279.811 3.804 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000192146531 1125757770 /nfs/dbraw/zinc/75/77/70/1125757770.db2.gz BZJVBZRAYRMNDB-GFCCVEGCSA-N 0 3 254.308 3.548 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCCc3cc(F)ccc32)c1 ZINC000122336381 1125786897 /nfs/dbraw/zinc/78/68/97/1125786897.db2.gz VJKVVFXQOWZOOV-SFHVURJKSA-N 0 3 280.346 3.865 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2cccc(F)c2)cc1C#N ZINC000087822629 1129194524 /nfs/dbraw/zinc/19/45/24/1129194524.db2.gz FRFFLGOWMJCUMY-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN CCC(CC)(CN[C@H](C)c1cc(C#N)ccn1)C(F)(F)F ZINC000903080019 1130109888 /nfs/dbraw/zinc/10/98/88/1130109888.db2.gz HOZDKPPBQIKRJN-LLVKDONJSA-N 0 3 299.340 3.973 20 30 CHEDHN CC[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000338395750 1126739191 /nfs/dbraw/zinc/73/91/91/1126739191.db2.gz WVAIHELKCLROCB-OAHLLOKOSA-N 0 3 267.376 3.575 20 30 CHEDHN C=CCN(Cc1ccc(OC(F)F)c(OCC)c1)C1CC1 ZINC000338427039 1126740260 /nfs/dbraw/zinc/74/02/60/1126740260.db2.gz YVWTZBMTEQSOTB-UHFFFAOYSA-N 0 3 297.345 3.837 20 30 CHEDHN C[C@H](C1CC1)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000159675952 1126750225 /nfs/dbraw/zinc/75/02/25/1126750225.db2.gz OWCJIBTUGWKIFM-CQSZACIVSA-N 0 3 280.371 3.952 20 30 CHEDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(C#N)c1 ZINC000174429986 1126770054 /nfs/dbraw/zinc/77/00/54/1126770054.db2.gz FEFJQUYGYOBDHM-CYBMUJFWSA-N 0 3 297.377 3.614 20 30 CHEDHN CC[C@H](NCc1cccs1)c1cccc(C#N)c1 ZINC000902724687 1126776788 /nfs/dbraw/zinc/77/67/88/1126776788.db2.gz GLHPNCWROIXGBG-HNNXBMFYSA-N 0 3 256.374 3.861 20 30 CHEDHN CC(Cl)(Cl)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000777295625 1126784356 /nfs/dbraw/zinc/78/43/56/1126784356.db2.gz NIEOEOZKOCNFGH-SNVBAGLBSA-N 0 3 293.153 3.605 20 30 CHEDHN COc1ccc2c(c1Cl)[C@H](NCCCC#N)CCC2 ZINC000903148995 1126796000 /nfs/dbraw/zinc/79/60/00/1126796000.db2.gz YYMAYTCLVMDHOD-GFCCVEGCSA-N 0 3 278.783 3.619 20 30 CHEDHN C#C[C@H](N[C@H]1CC[C@@H]1C1CC1)c1ccc(Cl)cc1 ZINC000811517609 1130615226 /nfs/dbraw/zinc/61/52/26/1130615226.db2.gz XLUFSVMEODUHTB-PMPSAXMXSA-N 0 3 259.780 3.793 20 30 CHEDHN CN(CCCC(C)(C)C#N)Cc1cc(F)c(F)c(F)c1 ZINC000180489168 1126844887 /nfs/dbraw/zinc/84/48/87/1126844887.db2.gz PUYPGXXLWKVEIN-UHFFFAOYSA-N 0 3 284.325 3.866 20 30 CHEDHN C=CC[C@H](CCC)Oc1cccc2c1CCN(C)C2 ZINC001234423418 1130642085 /nfs/dbraw/zinc/64/20/85/1130642085.db2.gz KEHONJIBKSWNGB-OAHLLOKOSA-N 0 3 259.393 3.798 20 30 CHEDHN C=CC[C@@H](C)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000180947581 1126850074 /nfs/dbraw/zinc/85/00/74/1126850074.db2.gz IXACQYVXUOZLRP-GHMZBOCLSA-N 0 3 250.411 3.637 20 30 CHEDHN CCC[C@H](NCCCC#N)c1ccc(F)cc1F ZINC000181680953 1126859625 /nfs/dbraw/zinc/85/96/25/1126859625.db2.gz KQIAFLWDQYDBNZ-AWEZNQCLSA-N 0 3 252.308 3.699 20 30 CHEDHN COc1ccccc1[C@@H](CC(C)C)NCCCC#N ZINC000181716425 1126860129 /nfs/dbraw/zinc/86/01/29/1126860129.db2.gz ILLMUJYBASQSAF-OAHLLOKOSA-N 0 3 260.381 3.676 20 30 CHEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1cccnc1 ZINC000182885160 1126879429 /nfs/dbraw/zinc/87/94/29/1126879429.db2.gz CPXGURIDOXLNLU-AWEZNQCLSA-N 0 3 279.387 3.734 20 30 CHEDHN C=CCN(CCCn1ccnc1)Cc1ccc(Cl)s1 ZINC000182662775 1126875387 /nfs/dbraw/zinc/87/53/87/1126875387.db2.gz PHZUJALQOFXHDM-UHFFFAOYSA-N 0 3 295.839 3.676 20 30 CHEDHN C=CCN(Cc1cc(OC)ccn1)CC1CCCCC1 ZINC000485048621 1126881814 /nfs/dbraw/zinc/88/18/14/1126881814.db2.gz RZXYLGFPBICUQH-UHFFFAOYSA-N 0 3 274.408 3.659 20 30 CHEDHN Cc1cc(C)c(/C=C/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000905083818 1126889554 /nfs/dbraw/zinc/88/95/54/1126889554.db2.gz FTAGJZQHIDWBMS-FNOIDGLDSA-N 0 3 293.370 3.600 20 30 CHEDHN C=CCCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000193145280 1126966564 /nfs/dbraw/zinc/96/65/64/1126966564.db2.gz MEIHYQIEQDDVII-UHFFFAOYSA-N 0 3 279.811 3.590 20 30 CHEDHN N#Cc1ccc(CN2CCC(c3ccc(O)cc3)CC2)s1 ZINC000271053251 1127066858 /nfs/dbraw/zinc/06/68/58/1127066858.db2.gz XQFFDSPJIZNFPA-UHFFFAOYSA-N 0 3 298.411 3.705 20 30 CHEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000912352601 1127096744 /nfs/dbraw/zinc/09/67/44/1127096744.db2.gz NZBFSEPBRPTESI-DOMZBBRYSA-N 0 3 294.826 3.543 20 30 CHEDHN COc1ccc2ccccc2c1CN[C@H]1CC[C@H](C#N)C1 ZINC000349803961 1127161990 /nfs/dbraw/zinc/16/19/90/1127161990.db2.gz RTWOFBZIPBNBDT-ZFWWWQNUSA-N 0 3 280.371 3.630 20 30 CHEDHN C=C(Cl)CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000717976910 1127170452 /nfs/dbraw/zinc/17/04/52/1127170452.db2.gz XWTJJYANSVYSPO-LSDHHAIUSA-N 0 3 279.811 3.712 20 30 CHEDHN COCCN(Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000351590537 1127196230 /nfs/dbraw/zinc/19/62/30/1127196230.db2.gz WLJPKGNHDFZFSU-INIZCTEOSA-N 0 3 294.398 3.768 20 30 CHEDHN C[C@H](CCC#N)N(C)Cc1ccc(Br)cc1 ZINC000351611319 1127198026 /nfs/dbraw/zinc/19/80/26/1127198026.db2.gz ZLSDIHOONZEVJW-LLVKDONJSA-N 0 3 281.197 3.573 20 30 CHEDHN CC(C)OCc1ccccc1CNCc1cccc(C#N)c1 ZINC000078357845 1127209163 /nfs/dbraw/zinc/20/91/63/1127209163.db2.gz UXYXCBAJJUXBBF-UHFFFAOYSA-N 0 3 294.398 3.773 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000589502499 1127223366 /nfs/dbraw/zinc/22/33/66/1127223366.db2.gz YEJRJAWMHRGVPT-GHMZBOCLSA-N 0 3 282.309 3.665 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)c1ccccc1)c1ccco1 ZINC000285829859 1127243899 /nfs/dbraw/zinc/24/38/99/1127243899.db2.gz WVCJUKFERZYJMY-JKSUJKDBSA-N 0 3 271.360 3.610 20 30 CHEDHN CCS[C@@H]1CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000352893287 1127249111 /nfs/dbraw/zinc/24/91/11/1127249111.db2.gz NIARTIOTYGYITO-OAHLLOKOSA-N 0 3 292.423 3.805 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)c1cccc(F)c1)c1ccco1 ZINC000286048621 1127256148 /nfs/dbraw/zinc/25/61/48/1127256148.db2.gz KYLJIXXGEXMFKY-HOTGVXAUSA-N 0 3 289.350 3.749 20 30 CHEDHN C=CCC[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccco1 ZINC000286152256 1127261306 /nfs/dbraw/zinc/26/13/06/1127261306.db2.gz OXOWSPQCWNBROD-HUUCEWRRSA-N 0 3 291.391 3.562 20 30 CHEDHN CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000590778420 1127271123 /nfs/dbraw/zinc/27/11/23/1127271123.db2.gz AXRLWIQOPBDHAB-ROUUACIJSA-N 0 3 277.371 3.681 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC=C(c2cccnc2)C1 ZINC000590741871 1127271287 /nfs/dbraw/zinc/27/12/87/1127271287.db2.gz SLHBYDPFTXHHKP-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000590778421 1127271358 /nfs/dbraw/zinc/27/13/58/1127271358.db2.gz AXRLWIQOPBDHAB-ZWKOTPCHSA-N 0 3 277.371 3.681 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccncc1 ZINC000590778608 1127271955 /nfs/dbraw/zinc/27/19/55/1127271955.db2.gz DNEUWUYXIIWBLY-MRXNPFEDSA-N 0 3 285.778 3.848 20 30 CHEDHN CC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000353700235 1127272823 /nfs/dbraw/zinc/27/28/23/1127272823.db2.gz CHEJFHVECYXZPT-INIZCTEOSA-N 0 3 260.356 3.709 20 30 CHEDHN N#CCc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000573682070 1127322998 /nfs/dbraw/zinc/32/29/98/1127322998.db2.gz NGMGJCSJGDSFJB-LJQANCHMSA-N 0 3 291.398 3.779 20 30 CHEDHN CC1(C)C[C@@H](c2ccccc2)N(Cc2ccnc(C#N)c2)C1 ZINC000591855655 1127324808 /nfs/dbraw/zinc/32/48/08/1127324808.db2.gz RNUQNFTZPHDMQC-SFHVURJKSA-N 0 3 291.398 3.926 20 30 CHEDHN C[C@@H](CCC#N)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000593067078 1127368363 /nfs/dbraw/zinc/36/83/63/1127368363.db2.gz RTKMVGIVSLJWAB-STQMWFEESA-N 0 3 276.811 3.994 20 30 CHEDHN CC(C)(C)[C@H]1C[C@@H](NCC2(C#N)CCCC2)CS1 ZINC000593655016 1127392820 /nfs/dbraw/zinc/39/28/20/1127392820.db2.gz VHVJJSNIJPOKLD-CHWSQXEVSA-N 0 3 266.454 3.580 20 30 CHEDHN CC[C@H](CNCC1(C#N)CCCC1)c1ccccc1 ZINC000593652638 1127393167 /nfs/dbraw/zinc/39/31/67/1127393167.db2.gz FIROUVBNUVJAHU-OAHLLOKOSA-N 0 3 256.393 3.854 20 30 CHEDHN C[C@@H](CCc1ccsc1)NCC1(C#N)CCCC1 ZINC000593653189 1127393315 /nfs/dbraw/zinc/39/33/15/1127393315.db2.gz FCAFEGAYEKSDRI-ZDUSSCGKSA-N 0 3 262.422 3.743 20 30 CHEDHN C[C@@H](CNCC1(C#N)CCCC1)c1cc(F)cc(F)c1 ZINC000593654723 1127394480 /nfs/dbraw/zinc/39/44/80/1127394480.db2.gz LGWRZICYEYUEIM-LBPRGKRZSA-N 0 3 278.346 3.742 20 30 CHEDHN C[C@]1(Cc2ccccc2F)CCCN1Cc1ccc(C#N)o1 ZINC000592525361 1127396365 /nfs/dbraw/zinc/39/63/65/1127396365.db2.gz KQRMJPDUZAVDED-GOSISDBHSA-N 0 3 298.361 3.888 20 30 CHEDHN CC[C@H](CC#N)NCCCc1ccc(C(F)(F)F)cc1 ZINC000594009026 1127407539 /nfs/dbraw/zinc/40/75/39/1127407539.db2.gz YWFCSGFPZWLDDB-CQSZACIVSA-N 0 3 284.325 3.920 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)CC2(CCCCC2)O1 ZINC000594058003 1127408161 /nfs/dbraw/zinc/40/81/61/1127408161.db2.gz OFTUYYFLLUKAPB-MRXNPFEDSA-N 0 3 298.430 3.676 20 30 CHEDHN CC(C)(C#N)c1ccc(CNCc2ccsc2)cc1 ZINC000594495413 1127418186 /nfs/dbraw/zinc/41/81/86/1127418186.db2.gz RYHFRVLXUWETPW-UHFFFAOYSA-N 0 3 270.401 3.839 20 30 CHEDHN CC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1F ZINC000594508790 1127419781 /nfs/dbraw/zinc/41/97/81/1127419781.db2.gz WGFQOKCYORUVSG-HEHGZKQESA-N 0 3 260.356 3.949 20 30 CHEDHN N#CC1(c2ccc(CNCc3cccs3)cc2)CC1 ZINC000594917852 1127435465 /nfs/dbraw/zinc/43/54/65/1127435465.db2.gz KVHLAHDQLHRDES-UHFFFAOYSA-N 0 3 268.385 3.593 20 30 CHEDHN COCc1csc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000594939512 1127438700 /nfs/dbraw/zinc/43/87/00/1127438700.db2.gz RKCVPJBEVSOPLN-QGZVFWFLSA-N 0 3 298.411 3.543 20 30 CHEDHN CC(C)[C@H](NCCCC#N)c1cc(F)ccc1F ZINC000358984869 1127442444 /nfs/dbraw/zinc/44/24/44/1127442444.db2.gz LMXOIFNQBPVOKJ-AWEZNQCLSA-N 0 3 252.308 3.555 20 30 CHEDHN C=CCCSCCN[C@H](C)c1ccncc1Cl ZINC000595061077 1127447338 /nfs/dbraw/zinc/44/73/38/1127447338.db2.gz YEUWYLIWTGDGDV-LLVKDONJSA-N 0 3 270.829 3.695 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(OC3CC3)c2F)C1 ZINC000595069673 1127448201 /nfs/dbraw/zinc/44/82/01/1127448201.db2.gz QFPXODAFTYGUIM-GXTWGEPZSA-N 0 3 288.366 3.539 20 30 CHEDHN C[C@@H](Cc1cccs1)NCC1(C#N)CCCCC1 ZINC000595091303 1127453957 /nfs/dbraw/zinc/45/39/57/1127453957.db2.gz PGNBPMIQUXKACJ-ZDUSSCGKSA-N 0 3 262.422 3.743 20 30 CHEDHN C[C@H]1CC[C@]2(CCN(Cc3ccccc3C#N)C2)C1 ZINC000359290685 1127456387 /nfs/dbraw/zinc/45/63/87/1127456387.db2.gz LSDYETJIFUVHDI-YOEHRIQHSA-N 0 3 254.377 3.570 20 30 CHEDHN CCN(CCC#N)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595331836 1127458742 /nfs/dbraw/zinc/45/87/42/1127458742.db2.gz DZSYVXAEJUURFF-NVXWUHKLSA-N 0 3 256.393 3.806 20 30 CHEDHN N#Cc1ccc(CCN2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000595342200 1127459139 /nfs/dbraw/zinc/45/91/39/1127459139.db2.gz LPJSCKYYEOKGLE-GOSISDBHSA-N 0 3 280.346 3.687 20 30 CHEDHN CC(C)O[C@H](CN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595622818 1127468488 /nfs/dbraw/zinc/46/84/88/1127468488.db2.gz DOSMCFAMIOCMTB-SJLPKXTDSA-N 0 3 286.419 3.778 20 30 CHEDHN CC(C)c1ccc2c(c1)CN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000595656750 1127471805 /nfs/dbraw/zinc/47/18/05/1127471805.db2.gz DVNGJBOKZUSWKS-RDTXWAMCSA-N 0 3 268.404 3.860 20 30 CHEDHN N#CCSCCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595675948 1127472062 /nfs/dbraw/zinc/47/20/62/1127472062.db2.gz ODAMYHSOEOMHOD-HNNXBMFYSA-N 0 3 290.432 3.844 20 30 CHEDHN C[C@H](NCCCCC(C)(C)C#N)c1cscn1 ZINC000595669663 1127472243 /nfs/dbraw/zinc/47/22/43/1127472243.db2.gz YKNZCWACTQCPFM-NSHDSACASA-N 0 3 251.399 3.514 20 30 CHEDHN COc1ccc([C@@H]2CCCN2CCC(C)(C)C#N)cc1F ZINC000595754198 1127475118 /nfs/dbraw/zinc/47/51/18/1127475118.db2.gz WQJCJBAJCAKMMS-HNNXBMFYSA-N 0 3 290.382 3.911 20 30 CHEDHN C=CCC1(NCc2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000595780018 1127476678 /nfs/dbraw/zinc/47/66/78/1127476678.db2.gz FQMUOIGHXPJSPJ-UHFFFAOYSA-N 0 3 278.327 3.712 20 30 CHEDHN CC(C)CC1(NCc2ccc(C#N)cc2Cl)CC1 ZINC000595832573 1127479219 /nfs/dbraw/zinc/47/92/19/1127479219.db2.gz XHXQVAXNXNZSAG-UHFFFAOYSA-N 0 3 262.784 3.880 20 30 CHEDHN CC1(C)CC[C@@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000360128986 1127490924 /nfs/dbraw/zinc/49/09/24/1127490924.db2.gz BDEXRMFDWUVWAU-SFHVURJKSA-N 0 3 296.414 3.605 20 30 CHEDHN CC1(C)CN(CCc2ccc(C#N)cc2)[C@H]1c1cccnc1 ZINC000596589057 1127509299 /nfs/dbraw/zinc/50/92/99/1127509299.db2.gz IBHPNBLNQIMGMC-SFHVURJKSA-N 0 3 291.398 3.579 20 30 CHEDHN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 ZINC000597120766 1127528695 /nfs/dbraw/zinc/52/86/95/1127528695.db2.gz JVJIPWBYVPKLNO-AWEZNQCLSA-N 0 3 296.336 3.920 20 30 CHEDHN CC[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@H](C)C#N ZINC000597081527 1127527044 /nfs/dbraw/zinc/52/70/44/1127527044.db2.gz BTLDZIMKCOHRKS-BXUZGUMPSA-N 0 3 284.325 3.776 20 30 CHEDHN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@H](C)C#N ZINC000597081528 1127527362 /nfs/dbraw/zinc/52/73/62/1127527362.db2.gz BTLDZIMKCOHRKS-FZMZJTMJSA-N 0 3 284.325 3.776 20 30 CHEDHN CC[C@@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCC1 ZINC000597153972 1127530723 /nfs/dbraw/zinc/53/07/23/1127530723.db2.gz MINQQDSKSXOFTM-HNNXBMFYSA-N 0 3 276.811 3.945 20 30 CHEDHN C/C(=C\c1ccccc1)CN1CCC[C@@H](CC#N)C1 ZINC000597173352 1127531534 /nfs/dbraw/zinc/53/15/34/1127531534.db2.gz JFAJXSVRNNQQOP-VMEIHUARSA-N 0 3 254.377 3.716 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccc3occc3c2)C1 ZINC000597175592 1127532428 /nfs/dbraw/zinc/53/24/28/1127532428.db2.gz BRYRXNJZZBJVAG-CYBMUJFWSA-N 0 3 254.333 3.558 20 30 CHEDHN COc1cc(CN2CCC[C@H](CC#N)C2)cc2ccccc21 ZINC000597177541 1127532450 /nfs/dbraw/zinc/53/24/50/1127532450.db2.gz OQYLVZDMHXBORO-OAHLLOKOSA-N 0 3 294.398 3.974 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccc3occc3c2)C1 ZINC000597175593 1127532903 /nfs/dbraw/zinc/53/29/03/1127532903.db2.gz BRYRXNJZZBJVAG-ZDUSSCGKSA-N 0 3 254.333 3.558 20 30 CHEDHN C=CCCCCCN(C)Cc1cn(C)nc1C(F)F ZINC000361190683 1127546189 /nfs/dbraw/zinc/54/61/89/1127546189.db2.gz ZPRHOJOISQBORF-UHFFFAOYSA-N 0 3 271.355 3.536 20 30 CHEDHN C[C@@H](CCC#N)CN(C)[C@@H](C)c1cc(F)ccc1F ZINC000602437491 1127578680 /nfs/dbraw/zinc/57/86/80/1127578680.db2.gz AHHLNHHFBCNTJI-RYUDHWBXSA-N 0 3 266.335 3.897 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1N ZINC000602445518 1127580670 /nfs/dbraw/zinc/58/06/70/1127580670.db2.gz WQZWGLBPDDBYFH-UHFFFAOYSA-N 0 3 297.377 3.692 20 30 CHEDHN C[C@H](CCC#N)CNCc1csc(-c2ccccc2)n1 ZINC000602531296 1127591639 /nfs/dbraw/zinc/59/16/39/1127591639.db2.gz BWFQESKUTDBYFQ-CYBMUJFWSA-N 0 3 285.416 3.840 20 30 CHEDHN C[C@H](CCC#N)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000602681290 1127606188 /nfs/dbraw/zinc/60/61/88/1127606188.db2.gz NLZOQQKEAOFXQO-HIFRSBDPSA-N 0 3 258.365 3.746 20 30 CHEDHN N#CCC1(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000602824058 1127616159 /nfs/dbraw/zinc/61/61/59/1127616159.db2.gz LRBRSGBFSHPGMS-LBPRGKRZSA-N 0 3 286.341 3.735 20 30 CHEDHN Cc1cccc(C2=CCN(CC3(CC#N)CC3)CC2)c1 ZINC000602797812 1127614501 /nfs/dbraw/zinc/61/45/01/1127614501.db2.gz LXBUKPWHXUFDHD-UHFFFAOYSA-N 0 3 266.388 3.778 20 30 CHEDHN C#Cc1ccc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)cc1 ZINC000295074629 1127618967 /nfs/dbraw/zinc/61/89/67/1127618967.db2.gz POSLUKLMQGPFND-RDTXWAMCSA-N 0 3 277.367 3.670 20 30 CHEDHN C[C@H](NCc1cccc2c1CCC2)c1cccc(C#N)c1 ZINC000593601994 1127633948 /nfs/dbraw/zinc/63/39/48/1127633948.db2.gz NFMWPVAJCIELGS-AWEZNQCLSA-N 0 3 276.383 3.898 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1cnn(CC)c1)c1ccc(C#N)cc1 ZINC000295896269 1127656477 /nfs/dbraw/zinc/65/64/77/1127656477.db2.gz IEIOLVZZHDUHPL-SUMWQHHRSA-N 0 3 282.391 3.577 20 30 CHEDHN CN(CCCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000296533247 1127675107 /nfs/dbraw/zinc/67/51/07/1127675107.db2.gz NKCSEBWRUPVLML-UHFFFAOYSA-N 0 3 292.382 3.653 20 30 CHEDHN N#CCCCCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635180 1127684128 /nfs/dbraw/zinc/68/41/28/1127684128.db2.gz NUZUASNFCCCYGD-UHFFFAOYSA-N 0 3 282.309 3.757 20 30 CHEDHN N#CCc1cccc2c1CCN(CCCc1ccsc1)C2 ZINC000599677122 1127686434 /nfs/dbraw/zinc/68/64/34/1127686434.db2.gz HPFNEOUISAOPCJ-UHFFFAOYSA-N 0 3 296.439 3.805 20 30 CHEDHN C=C(Br)CNCC[C@H](C)c1ccccc1 ZINC000061910556 1127727121 /nfs/dbraw/zinc/72/71/21/1127727121.db2.gz VTSPUOTVEQYUNC-NSHDSACASA-N 0 3 268.198 3.678 20 30 CHEDHN N#CCCCN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000367138501 1127751467 /nfs/dbraw/zinc/75/14/67/1127751467.db2.gz PXFBOTYXMRZDPI-MRXNPFEDSA-N 0 3 278.346 3.852 20 30 CHEDHN C[C@H](CN1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC000594028665 1127771734 /nfs/dbraw/zinc/77/17/34/1127771734.db2.gz STHQTXNQBVXYQK-CQSZACIVSA-N 0 3 262.356 3.678 20 30 CHEDHN C=CCCCCCN(C)CC(=O)N(C1CC1)C1CCCC1 ZINC000606902730 1127780947 /nfs/dbraw/zinc/78/09/47/1127780947.db2.gz YHTNSTHOLNCYIV-UHFFFAOYSA-N 0 3 292.467 3.598 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](OCC2CC2)C1 ZINC000372297995 1127794396 /nfs/dbraw/zinc/79/43/96/1127794396.db2.gz XBRLEYXONFVMRW-KSSFIOAISA-N 0 3 284.403 3.510 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]2C2CC2)c(Cl)c1 ZINC000615224350 1127857460 /nfs/dbraw/zinc/85/74/60/1127857460.db2.gz LISWVLRKWZOLFQ-HNNXBMFYSA-N 0 3 260.768 3.586 20 30 CHEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1cccnc1 ZINC000411435651 1127859914 /nfs/dbraw/zinc/85/99/14/1127859914.db2.gz DRIDPOFXGXSCQT-CQSZACIVSA-N 0 3 257.381 3.596 20 30 CHEDHN Cc1noc(C)c1C(C)(C)NCCC1(C#N)CCCCC1 ZINC000411734166 1127871475 /nfs/dbraw/zinc/87/14/75/1127871475.db2.gz XFKDKUUYKLYYKX-UHFFFAOYSA-N 0 3 289.423 3.980 20 30 CHEDHN C[C@H](CN(C)Cc1ccccc1C#N)c1ccccc1 ZINC000608976583 1127896576 /nfs/dbraw/zinc/89/65/76/1127896576.db2.gz AFRURIDCBNQVNK-OAHLLOKOSA-N 0 3 264.372 3.794 20 30 CHEDHN C=CCCCCN(C)Cc1cc(C)c(Br)cn1 ZINC001232907166 1127900936 /nfs/dbraw/zinc/90/09/36/1127900936.db2.gz LBUVDRVXPVMAHD-UHFFFAOYSA-N 0 3 297.240 3.941 20 30 CHEDHN Cc1cncc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000442671453 1127906319 /nfs/dbraw/zinc/90/63/19/1127906319.db2.gz LNALZZVOGUWJOU-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN CC(C)(C#N)CCCN1CC[C@](F)(c2ccccc2)C1 ZINC000374531179 1127902946 /nfs/dbraw/zinc/90/29/46/1127902946.db2.gz PUFPMALVWNLGGI-QGZVFWFLSA-N 0 3 274.383 3.887 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000539507969 1127927085 /nfs/dbraw/zinc/92/70/85/1127927085.db2.gz QZXXVTCMONLUBL-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN COc1cc(CN(C)Cc2cc(C)cc(C)c2)ccc1C#N ZINC000443062204 1127928213 /nfs/dbraw/zinc/92/82/13/1127928213.db2.gz AWHWQMWZWIWQLD-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN CN(CCOc1ccccc1Cl)CCC(C)(C)C#N ZINC000539587806 1127932112 /nfs/dbraw/zinc/93/21/12/1127932112.db2.gz SBINJYSNYLVMIP-UHFFFAOYSA-N 0 3 280.799 3.590 20 30 CHEDHN COc1ccc(C2(N[C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000539624330 1127933234 /nfs/dbraw/zinc/93/32/34/1127933234.db2.gz MYTWFKCCQZTHLO-CQSZACIVSA-N 0 3 292.382 3.907 20 30 CHEDHN CC(C)C[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000539821428 1127942967 /nfs/dbraw/zinc/94/29/67/1127942967.db2.gz IPHRCJAIUFJMDW-CYBMUJFWSA-N 0 3 262.422 3.878 20 30 CHEDHN CCCCC[C@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000539899494 1127952198 /nfs/dbraw/zinc/95/21/98/1127952198.db2.gz UQBXARAYJIJQBV-INIZCTEOSA-N 0 3 296.418 3.751 20 30 CHEDHN C=CC[C@H](CC)N[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000467412911 1127967939 /nfs/dbraw/zinc/96/79/39/1127967939.db2.gz KRIJSMXDFGKPTN-HOCLYGCPSA-N 0 3 298.434 3.889 20 30 CHEDHN C=C(CC)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000540242225 1127971162 /nfs/dbraw/zinc/97/11/62/1127971162.db2.gz TUAGNPOKMNXIMX-UHFFFAOYSA-N 0 3 260.337 3.525 20 30 CHEDHN CCN(Cc1ccc(C)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000122351309 1127971939 /nfs/dbraw/zinc/97/19/39/1127971939.db2.gz NLTBIXPLIKLERJ-HNNXBMFYSA-N 0 3 279.387 3.845 20 30 CHEDHN C=C(C)COc1cc(CN2CC[C@@H]2C(C)C)ccc1OC ZINC000540505265 1127981414 /nfs/dbraw/zinc/98/14/14/1127981414.db2.gz WWRSUCJPZNJTIG-MRXNPFEDSA-N 0 3 289.419 3.880 20 30 CHEDHN CC[C@H]1CN(c2ccccc2)CCN1CCC(C)(C)C#N ZINC000545187383 1128003996 /nfs/dbraw/zinc/00/39/96/1128003996.db2.gz NHLQRVQZCZYBOO-INIZCTEOSA-N 0 3 285.435 3.527 20 30 CHEDHN CSc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000540992976 1128004569 /nfs/dbraw/zinc/00/45/69/1128004569.db2.gz DUVJLVMFJVQAGN-UHFFFAOYSA-N 0 3 260.406 3.534 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)CC1(C)C ZINC000545421392 1128014397 /nfs/dbraw/zinc/01/43/97/1128014397.db2.gz XQXPNTXPNXYGMP-GFCCVEGCSA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCOc2ccc(F)cc21 ZINC000925382620 1128031246 /nfs/dbraw/zinc/03/12/46/1128031246.db2.gz LUZUKKCJRQGAIS-BXUZGUMPSA-N 0 3 276.355 3.567 20 30 CHEDHN COc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1C ZINC000542276858 1128060532 /nfs/dbraw/zinc/06/05/32/1128060532.db2.gz BUCKSOLQMCNDJN-UHFFFAOYSA-N 0 3 294.398 3.702 20 30 CHEDHN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C[C@H](O)CC#N ZINC000929730900 1128061849 /nfs/dbraw/zinc/06/18/49/1128061849.db2.gz FXOCOXAHXPCCBI-DNVCBOLYSA-N 0 3 294.398 3.621 20 30 CHEDHN Cc1ccsc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271910591 1128077466 /nfs/dbraw/zinc/07/74/66/1128077466.db2.gz ALJXRIFHVKTSSI-LLVKDONJSA-N 0 3 274.364 3.918 20 30 CHEDHN Cc1cccc2c1OCC[C@H]2N[C@H](C)CC(C)(C)C#N ZINC000924884358 1128116136 /nfs/dbraw/zinc/11/61/36/1128116136.db2.gz CAYIUVAZTGDEKF-UKRRQHHQSA-N 0 3 272.392 3.737 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccsc2)cc1 ZINC000800889748 1128127367 /nfs/dbraw/zinc/12/73/67/1128127367.db2.gz WNONSFDJKAXZTL-STQMWFEESA-N 0 3 286.400 3.890 20 30 CHEDHN N#CCCN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000443071310 1128127927 /nfs/dbraw/zinc/12/79/27/1128127927.db2.gz PVDGKMSSKPNYBP-OCCSQVGLSA-N 0 3 282.309 3.845 20 30 CHEDHN Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)CC(C)(C)C#N ZINC000925368134 1128128965 /nfs/dbraw/zinc/12/89/65/1128128965.db2.gz XBKKSAHEYAYNBH-IUODEOHRSA-N 0 3 272.392 3.655 20 30 CHEDHN COc1ccc(CN[C@@H]2CCc3cccc(C)c32)cc1C#N ZINC000925582492 1128132927 /nfs/dbraw/zinc/13/29/27/1128132927.db2.gz FYPRRLALWZNVDZ-QGZVFWFLSA-N 0 3 292.382 3.652 20 30 CHEDHN COc1cccc(C2(N[C@H](C)CC(C)(C)C#N)CC2)c1 ZINC000925897551 1128145900 /nfs/dbraw/zinc/14/59/00/1128145900.db2.gz PQHXYCARYIHBOO-CYBMUJFWSA-N 0 3 272.392 3.602 20 30 CHEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926190284 1128159940 /nfs/dbraw/zinc/15/99/40/1128159940.db2.gz QJGBVEJLZHLXIF-CHWSQXEVSA-N 0 3 290.455 3.926 20 30 CHEDHN COC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000926312307 1128166647 /nfs/dbraw/zinc/16/66/47/1128166647.db2.gz KQDWRVYHHQDHJU-DOMZBBRYSA-N 0 3 294.826 3.945 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccnc(C(F)(F)F)c1 ZINC000926508676 1128177274 /nfs/dbraw/zinc/17/72/74/1128177274.db2.gz ANFWAIGUFADPDF-JTQLQIEISA-N 0 3 285.313 3.518 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(-c2ccccc2)no1 ZINC000926530683 1128179444 /nfs/dbraw/zinc/17/94/44/1128179444.db2.gz JJCIKWYSHUSJFH-UNEWFSDZSA-N 0 3 298.386 3.726 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)COC3)cc1C#N ZINC000926963760 1128206420 /nfs/dbraw/zinc/20/64/20/1128206420.db2.gz FMMYDJOSMHUXLF-AWEZNQCLSA-N 0 3 292.382 3.748 20 30 CHEDHN CC[C@H](NCc1cccc2c1OCC2)c1ccc(C#N)cc1 ZINC000927089887 1128216645 /nfs/dbraw/zinc/21/66/45/1128216645.db2.gz GVMQDWOJRLUPLT-SFHVURJKSA-N 0 3 292.382 3.734 20 30 CHEDHN C=CCCCC[C@H](C)NCc1cc(C2CC2)n(C)n1 ZINC000927108633 1128218629 /nfs/dbraw/zinc/21/86/29/1128218629.db2.gz RVJUJLGEXSDKHK-ZDUSSCGKSA-N 0 3 261.413 3.522 20 30 CHEDHN C[C@@H](Cc1cccc(F)c1)NC1(CC#N)CCCC1 ZINC001168476299 1128226639 /nfs/dbraw/zinc/22/66/39/1128226639.db2.gz SRYDVLSVGHVSEM-ZDUSSCGKSA-N 0 3 260.356 3.573 20 30 CHEDHN CCc1cc(CN2CCC[C@@H](C(F)F)C2)ccc1C#N ZINC001238770302 1131242702 /nfs/dbraw/zinc/24/27/02/1131242702.db2.gz ALDIYTOXVVZTHK-OAHLLOKOSA-N 0 3 278.346 3.598 20 30 CHEDHN C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000053422414 1128235317 /nfs/dbraw/zinc/23/53/17/1128235317.db2.gz JFLXFJQXMVIUJN-ZDUSSCGKSA-N 0 3 268.335 3.890 20 30 CHEDHN CC(C)CCN(CCC#N)CC1CCC(C#N)CC1 ZINC000929781832 1128287041 /nfs/dbraw/zinc/28/70/41/1128287041.db2.gz WDLHZYSQKACECD-UHFFFAOYSA-N 0 3 261.413 3.578 20 30 CHEDHN Cc1cc(CN[C@@H](CCCC#N)c2ccccc2)c(C)nn1 ZINC000930570112 1128326201 /nfs/dbraw/zinc/32/62/01/1128326201.db2.gz PVEFVPJBHHBRCN-SFHVURJKSA-N 0 3 294.402 3.618 20 30 CHEDHN COc1cccc(C2(N[C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000272310463 1128327078 /nfs/dbraw/zinc/32/70/78/1128327078.db2.gz TUCHCMIEUGXUDN-CQSZACIVSA-N 0 3 292.382 3.907 20 30 CHEDHN C[C@H](NCc1cncc(C#N)c1)c1cccc(C2CC2)c1 ZINC000930594840 1128327395 /nfs/dbraw/zinc/32/73/95/1128327395.db2.gz RIDKPVWOKWONHP-ZDUSSCGKSA-N 0 3 277.371 3.681 20 30 CHEDHN Cc1cccc(C)c1[C@H]1CCCN1Cc1cncc(C#N)c1 ZINC000930923329 1128340274 /nfs/dbraw/zinc/34/02/74/1128340274.db2.gz NUUJTVQPGNRSJS-GOSISDBHSA-N 0 3 291.398 3.907 20 30 CHEDHN Cc1cccc(C)c1[C@@H]1CCCN1Cc1cncc(C#N)c1 ZINC000930923330 1128340631 /nfs/dbraw/zinc/34/06/31/1128340631.db2.gz NUUJTVQPGNRSJS-SFHVURJKSA-N 0 3 291.398 3.907 20 30 CHEDHN C=CCN(C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H](C)COC ZINC000930931320 1128340892 /nfs/dbraw/zinc/34/08/92/1128340892.db2.gz UVHLTNPFUMBRBE-FVQBIDKESA-N 0 3 295.373 3.558 20 30 CHEDHN C[C@@H]1CCN(Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000931746695 1128379947 /nfs/dbraw/zinc/37/99/47/1128379947.db2.gz KOVUIJDXUXDZBY-RDTXWAMCSA-N 0 3 277.371 3.536 20 30 CHEDHN CC1(C)CN(CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000328866116 1128434857 /nfs/dbraw/zinc/43/48/57/1128434857.db2.gz NSLLIKWLMCXSCP-HZPDHXFCSA-N 0 3 297.402 3.657 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CC=CCC1 ZINC000778168302 1128434876 /nfs/dbraw/zinc/43/48/76/1128434876.db2.gz AWOYXIDIMVAUKT-CYBMUJFWSA-N 0 3 275.779 3.550 20 30 CHEDHN C[C@@H](CCC#N)N1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933820377 1128444555 /nfs/dbraw/zinc/44/45/55/1128444555.db2.gz VCIDVLMBOILXRS-AWEZNQCLSA-N 0 3 279.387 3.949 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000497147404 1128454819 /nfs/dbraw/zinc/45/48/19/1128454819.db2.gz NWEHQWPFAIFHJX-UHFFFAOYSA-N 0 3 262.353 3.726 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1nc(Br)ccc1F ZINC000925433589 1128478175 /nfs/dbraw/zinc/47/81/75/1128478175.db2.gz ZFCLGHCQOYLOMY-IUCAKERBSA-N 0 3 287.176 3.598 20 30 CHEDHN C[C@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cn2)C1 ZINC000567103405 1128558420 /nfs/dbraw/zinc/55/84/20/1128558420.db2.gz ZPJIPODZAXIZTO-IBGZPJMESA-N 0 3 291.398 3.507 20 30 CHEDHN N#CCCN[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000565652682 1128530491 /nfs/dbraw/zinc/53/04/91/1128530491.db2.gz AAOQXOJTFWLLOH-DZGCQCFKSA-N 0 3 262.784 3.869 20 30 CHEDHN C[C@H](CC(C)(C)c1ccccc1)NCC1(C#N)CC1 ZINC000567546902 1128567107 /nfs/dbraw/zinc/56/71/07/1128567107.db2.gz GQOQCIAVTJAUGP-CQSZACIVSA-N 0 3 256.393 3.636 20 30 CHEDHN N#Cc1cccc(C2(NC/C=C/c3ccc(F)cc3)CC2)c1 ZINC000556408972 1128587145 /nfs/dbraw/zinc/58/71/45/1128587145.db2.gz LYZIAJCXFPKXPO-DUXPYHPUSA-N 0 3 292.357 3.989 20 30 CHEDHN CC[C@H]1CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568810506 1128592601 /nfs/dbraw/zinc/59/26/01/1128592601.db2.gz QSOQUZNHYNWLIX-ZDUSSCGKSA-N 0 3 282.309 3.951 20 30 CHEDHN N#Cc1cccc(CN(Cc2ccccc2)C2CC2)c1 ZINC000043643199 1128606353 /nfs/dbraw/zinc/60/63/53/1128606353.db2.gz IKMKTOYWDAEBCI-UHFFFAOYSA-N 0 3 262.356 3.723 20 30 CHEDHN C=CCC[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccco1 ZINC000556865779 1128630652 /nfs/dbraw/zinc/63/06/52/1128630652.db2.gz IIQMIRIQZCLREB-HUUCEWRRSA-N 0 3 299.370 3.717 20 30 CHEDHN CCC[C@@H](NCC1(CC#N)CC1)c1cc(C)ccn1 ZINC000601280959 1128707812 /nfs/dbraw/zinc/70/78/12/1128707812.db2.gz VHSAJGROVOCRIF-CQSZACIVSA-N 0 3 257.381 3.515 20 30 CHEDHN CC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000601306782 1128709281 /nfs/dbraw/zinc/70/92/81/1128709281.db2.gz RFIFVVFHVMIGQH-FRRDWIJNSA-N 0 3 268.282 3.550 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Br)s1 ZINC000336726943 1117780678 /nfs/dbraw/zinc/78/06/78/1117780678.db2.gz BVXZXIXNSGFGMF-SECBINFHSA-N 0 3 299.237 3.855 20 30 CHEDHN FCCCCCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000671241614 1117783766 /nfs/dbraw/zinc/78/37/66/1117783766.db2.gz XFAZHNIBRBFZHT-RKDXNWHRSA-N 0 3 295.242 3.799 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc(F)c2)c1 ZINC000073012549 1117866839 /nfs/dbraw/zinc/86/68/39/1117866839.db2.gz LXCYUEDYCRDGDP-KRWDZBQOSA-N 0 3 298.361 3.796 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000615455464 1128749963 /nfs/dbraw/zinc/74/99/63/1128749963.db2.gz ORUXQBBVXOBGKY-UHFFFAOYSA-N 0 3 285.309 3.802 20 30 CHEDHN Cc1ccc(Cl)c(CN2CCC(S)CC2)c1 ZINC001238562137 1118003965 /nfs/dbraw/zinc/00/39/65/1118003965.db2.gz AMLHGKIAJJCXNE-UHFFFAOYSA-N 0 3 255.814 3.543 20 30 CHEDHN Cc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1F ZINC000237701483 1128752520 /nfs/dbraw/zinc/75/25/20/1128752520.db2.gz UGPNBEKAAMDMOP-AWEZNQCLSA-N 0 3 298.361 3.715 20 30 CHEDHN C=CCCCN[C@H](COCC(C)C)c1ccco1 ZINC000184211461 1118052667 /nfs/dbraw/zinc/05/26/67/1118052667.db2.gz WUIYFCQKGDUTCF-CQSZACIVSA-N 0 3 251.370 3.549 20 30 CHEDHN C=CCCCCCCN(CC(=O)OC)C1CCCC1 ZINC001209441265 1118059708 /nfs/dbraw/zinc/05/97/08/1118059708.db2.gz WRBHDLJAGDFEQS-UHFFFAOYSA-N 0 3 267.413 3.541 20 30 CHEDHN C=CCCCCCCCCN1CCC[C@H]1C(C)=O ZINC001209446307 1118062868 /nfs/dbraw/zinc/06/28/68/1118062868.db2.gz VOPNBASQCKOCKE-INIZCTEOSA-N 0 3 251.414 3.957 20 30 CHEDHN N#CCCNCCCCc1cccc(C(F)(F)F)c1 ZINC000355125242 1118097134 /nfs/dbraw/zinc/09/71/34/1118097134.db2.gz CYMPNOJGZGMFHS-UHFFFAOYSA-N 0 3 270.298 3.531 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc([C@@H](C)O)cc1 ZINC000921584783 1118203318 /nfs/dbraw/zinc/20/33/18/1118203318.db2.gz YDKAAOGUJNXIGV-OAHLLOKOSA-N 0 3 294.398 3.518 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2csc(C#N)c2)s1 ZINC000921584087 1118203372 /nfs/dbraw/zinc/20/33/72/1118203372.db2.gz BKICFHOQAMWTNC-SNVBAGLBSA-N 0 3 262.403 3.841 20 30 CHEDHN Cc1ccc(-c2nc(CNCCCCC#N)cs2)cc1 ZINC000172118702 1118207062 /nfs/dbraw/zinc/20/70/62/1118207062.db2.gz ZOIXNJLGUCARDE-UHFFFAOYSA-N 0 3 285.416 3.902 20 30 CHEDHN C=CCN(CCOCC1CCCC1)CCc1ccco1 ZINC001168579392 1118269070 /nfs/dbraw/zinc/26/90/70/1118269070.db2.gz IUVAZKYGKWSFMH-UHFFFAOYSA-N 0 3 277.408 3.517 20 30 CHEDHN N#CCCN[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000449285776 1118270519 /nfs/dbraw/zinc/27/05/19/1118270519.db2.gz FVMHSODBIVTBJP-ZFWWWQNUSA-N 0 3 262.784 3.554 20 30 CHEDHN C=CCCCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000683704722 1118296877 /nfs/dbraw/zinc/29/68/77/1118296877.db2.gz FALQCUXAQGYOSF-UHFFFAOYSA-N 0 3 255.365 3.523 20 30 CHEDHN C[C@@H]1CC(=O)C=C(Nc2ccccc2CN2CCCCC2)C1 ZINC001210774454 1118380815 /nfs/dbraw/zinc/38/08/15/1118380815.db2.gz BQOMSBWDYNYUHR-HNNXBMFYSA-N 0 3 298.430 3.967 20 30 CHEDHN CC(C)(NCc1cc(C#N)cs1)c1ccccc1 ZINC000310758563 1118410410 /nfs/dbraw/zinc/41/04/10/1118410410.db2.gz KOLRSWWTGOPODG-UHFFFAOYSA-N 0 3 256.374 3.645 20 30 CHEDHN CC(C)[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000071029248 1118422604 /nfs/dbraw/zinc/42/26/04/1118422604.db2.gz CHHIARJGYBLOEP-HNNXBMFYSA-N 0 3 256.393 3.816 20 30 CHEDHN Cc1ccc2c(c1)CC[C@@H]2NCc1cc(C#N)cs1 ZINC000334251857 1118547504 /nfs/dbraw/zinc/54/75/04/1118547504.db2.gz KVIBGZZPVORZDW-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN CN1CCC[C@@H](NCc2cc(C#N)cs2)c2ccccc21 ZINC000334579711 1118555924 /nfs/dbraw/zinc/55/59/24/1118555924.db2.gz MRHDCIZWTKFDPI-MRXNPFEDSA-N 0 3 297.427 3.681 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000656457829 1118556098 /nfs/dbraw/zinc/55/60/98/1118556098.db2.gz RRACXTAQZJZHSN-NVXWUHKLSA-N 0 3 298.434 3.684 20 30 CHEDHN Cc1cncc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000334921020 1118562048 /nfs/dbraw/zinc/56/20/48/1118562048.db2.gz IIGDLTHESSBMCM-IFXJQAMLSA-N 0 3 291.398 3.990 20 30 CHEDHN Cc1cccc2c1CC[C@@H]2NCc1ccc(C#N)s1 ZINC000335080555 1118567818 /nfs/dbraw/zinc/56/78/18/1118567818.db2.gz FXOSXILBGXETDA-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN C[C@H]1CCC[C@H](C)N1CCNc1c(F)cc(C#N)cc1F ZINC000341131242 1118603215 /nfs/dbraw/zinc/60/32/15/1118603215.db2.gz UCESVWYBEPAACU-RYUDHWBXSA-N 0 3 293.361 3.511 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@]1(C)CCOc2ccccc21 ZINC000933372139 1118670465 /nfs/dbraw/zinc/67/04/65/1118670465.db2.gz VOCOEBDUDIAMRY-LJQANCHMSA-N 0 3 292.382 3.654 20 30 CHEDHN CCCCCCCN(C)Cc1ccc([S@](C)=O)cc1 ZINC000178437500 1118866942 /nfs/dbraw/zinc/86/69/42/1118866942.db2.gz SQLMKWLDHCZQLP-IBGZPJMESA-N 0 3 281.465 3.826 20 30 CHEDHN Cc1ccccc1[C@@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610991439 1118916646 /nfs/dbraw/zinc/91/66/46/1118916646.db2.gz JKVQHSZUXZDUEF-SFHVURJKSA-N 0 3 277.371 3.599 20 30 CHEDHN N#Cc1cc(CN(Cc2ccccc2)CC2CCC2)ccn1 ZINC000610991510 1118916764 /nfs/dbraw/zinc/91/67/64/1118916764.db2.gz MEATUPVUVVJSGJ-UHFFFAOYSA-N 0 3 291.398 3.756 20 30 CHEDHN CC[C@@H](c1ccccc1)N(CC)Cc1ccnc(C#N)c1 ZINC000610991942 1118917557 /nfs/dbraw/zinc/91/75/57/1118917557.db2.gz XAFJGIHABBPURT-SFHVURJKSA-N 0 3 279.387 3.926 20 30 CHEDHN C[C@H]1CN(Cc2ccnc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000610994404 1118919088 /nfs/dbraw/zinc/91/90/88/1118919088.db2.gz YXVIQDGVYYEYJL-HNAYVOBHSA-N 0 3 291.398 3.579 20 30 CHEDHN CCSCC[C@@H](C)N(C)Cc1csc(C#N)c1 ZINC000892200332 1119021494 /nfs/dbraw/zinc/02/14/94/1119021494.db2.gz FIHMSPDPJDKMLJ-LLVKDONJSA-N 0 3 268.451 3.583 20 30 CHEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000158145650 1119064499 /nfs/dbraw/zinc/06/44/99/1119064499.db2.gz XZYXMTUALULWKC-MWLCHTKSSA-N 0 3 282.434 3.584 20 30 CHEDHN C[C@@H](c1ccco1)N(C)CCCOc1ccc(C#N)cc1 ZINC000069066540 1128822767 /nfs/dbraw/zinc/82/27/67/1128822767.db2.gz GTIKFDRQQGYSFP-AWEZNQCLSA-N 0 3 284.359 3.613 20 30 CHEDHN C[C@@H](C#N)CN[C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000133037064 1119127937 /nfs/dbraw/zinc/12/79/37/1119127937.db2.gz KJEJPNDMEWWGBQ-PXNSSMCTSA-N 0 3 292.426 3.980 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)NCc1nccn1C(C)C ZINC000657496023 1119131321 /nfs/dbraw/zinc/13/13/21/1119131321.db2.gz NDEJETLWKRGWKJ-QGZVFWFLSA-N 0 3 283.419 3.741 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001140600316 1119234805 /nfs/dbraw/zinc/23/48/05/1119234805.db2.gz HENOWFUYHQJMEY-ZIAGYGMSSA-N 0 3 274.795 3.834 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccccc3)o2)C1 ZINC000349793494 1119238611 /nfs/dbraw/zinc/23/86/11/1119238611.db2.gz WCNFQTLHYVRZHI-DZGCQCFKSA-N 0 3 266.344 3.728 20 30 CHEDHN C=CCCC[C@@H](C)N(C)CC(=O)Nc1c(C)cccc1C ZINC000091508232 1119257084 /nfs/dbraw/zinc/25/70/84/1119257084.db2.gz BACUZBHFEALUNP-MRXNPFEDSA-N 0 3 288.435 3.919 20 30 CHEDHN C=CCCC[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C ZINC000091508230 1119257146 /nfs/dbraw/zinc/25/71/46/1119257146.db2.gz BACUZBHFEALUNP-INIZCTEOSA-N 0 3 288.435 3.919 20 30 CHEDHN CCc1ccc(CNCc2cccc(OCC#N)c2)s1 ZINC000226192799 1119303164 /nfs/dbraw/zinc/30/31/64/1119303164.db2.gz RTXXATPJWWTZOU-UHFFFAOYSA-N 0 3 286.400 3.503 20 30 CHEDHN C=CC[C@H]1N(Cc2nc(C)c(C)[nH]2)CCCC1(C)C ZINC000628253084 1128836394 /nfs/dbraw/zinc/83/63/94/1128836394.db2.gz SSLRBUNODDAXFF-CQSZACIVSA-N 0 3 261.413 3.593 20 30 CHEDHN C=C(C)[C@@H](NCCSC)c1ccc(F)c(F)c1 ZINC000187779721 1119310381 /nfs/dbraw/zinc/31/03/81/1119310381.db2.gz YOVAAKQVVVAYDN-CYBMUJFWSA-N 0 3 257.349 3.535 20 30 CHEDHN N#CC1(CN2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000343323668 1119384649 /nfs/dbraw/zinc/38/46/49/1119384649.db2.gz VCROFEBAXZJNHC-MRXNPFEDSA-N 0 3 254.377 3.560 20 30 CHEDHN CCS[C@@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC000179095222 1119548149 /nfs/dbraw/zinc/54/81/49/1119548149.db2.gz HCKRUBZJZXKFAI-HZPDHXFCSA-N 0 3 274.433 3.712 20 30 CHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000658334916 1119725485 /nfs/dbraw/zinc/72/54/85/1119725485.db2.gz FQDGRAGIWQDGJV-NWDGAFQWSA-N 0 3 291.391 3.752 20 30 CHEDHN C=CCC(CC=C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000177197655 1119777743 /nfs/dbraw/zinc/77/77/43/1119777743.db2.gz NYLRZKSVCFRAMH-CYBMUJFWSA-N 0 3 280.327 3.772 20 30 CHEDHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)o1 ZINC000613255192 1119892703 /nfs/dbraw/zinc/89/27/03/1119892703.db2.gz XNHKVDZPENSBBB-CXTNEJHOSA-N 0 3 258.365 3.575 20 30 CHEDHN Cc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)CCCO2 ZINC000414163721 1119922789 /nfs/dbraw/zinc/92/27/89/1119922789.db2.gz JDVLTXWXUAFRAW-HNNXBMFYSA-N 0 3 272.392 3.738 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000414167362 1119923969 /nfs/dbraw/zinc/92/39/69/1119923969.db2.gz PBVJWURTDCEZKK-CQSZACIVSA-N 0 3 276.355 3.569 20 30 CHEDHN C[C@@H]1CCCN(Cc2cccc(C#N)c2Cl)CC1 ZINC001140808019 1119957309 /nfs/dbraw/zinc/95/73/09/1119957309.db2.gz JRWWGSNBKMTALP-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN Cc1cncc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000613512262 1119958026 /nfs/dbraw/zinc/95/80/26/1119958026.db2.gz BZZKYACCUARDIB-KGLIPLIRSA-N 0 3 265.360 3.674 20 30 CHEDHN C[C@H](NCC(C)(C)OCC1CC1)c1ccc(C#N)cc1F ZINC000414274288 1119962439 /nfs/dbraw/zinc/96/24/39/1119962439.db2.gz ROLXRPMOJVYTOK-LBPRGKRZSA-N 0 3 290.382 3.553 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1nccn1CC ZINC000414299291 1119972053 /nfs/dbraw/zinc/97/20/53/1119972053.db2.gz KNCYENIHJLDKIN-DOTOQJQBSA-N 0 3 283.419 3.741 20 30 CHEDHN C[C@@]1(C#N)CCCN(CC2CCC(C(F)(F)F)CC2)C1 ZINC000613540370 1120020346 /nfs/dbraw/zinc/02/03/46/1120020346.db2.gz OVDFHGKITJGXLI-RUXDESIVSA-N 0 3 288.357 3.981 20 30 CHEDHN C=C(CNCc1c(C)nn(C(C)C)c1C)c1ccccc1 ZINC000892712121 1120110530 /nfs/dbraw/zinc/11/05/30/1120110530.db2.gz OVQBPADOJOXHTE-UHFFFAOYSA-N 0 3 283.419 3.884 20 30 CHEDHN CN(CCCC(=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000296185451 1120116096 /nfs/dbraw/zinc/11/60/96/1120116096.db2.gz BGLRJSNTOSPLMG-UHFFFAOYSA-N 0 3 292.382 3.653 20 30 CHEDHN CCN(CC)[C@@H](CNc1ccc(C#N)cc1)c1ccco1 ZINC000301091802 1120130336 /nfs/dbraw/zinc/13/03/36/1120130336.db2.gz LBZXEDJTRZIXGL-INIZCTEOSA-N 0 3 283.375 3.646 20 30 CHEDHN COc1cccc2c1CC[C@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000153712341 1120165548 /nfs/dbraw/zinc/16/55/48/1120165548.db2.gz JSHLEYDSTLBZCL-SCLBCKFNSA-N 0 3 292.382 3.905 20 30 CHEDHN N#Cc1ccccc1OCCN1CCC[C@H]1c1cccs1 ZINC000060464751 1120198871 /nfs/dbraw/zinc/19/88/71/1120198871.db2.gz NIWWVBAYZDYLBX-HNNXBMFYSA-N 0 3 298.411 3.836 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000618194398 1128900926 /nfs/dbraw/zinc/90/09/26/1128900926.db2.gz DPNKORPIMMVETJ-AWEZNQCLSA-N 0 3 275.355 3.589 20 30 CHEDHN CCC#C[C@H](C)N(C)Cc1ccc(OC(F)F)cc1 ZINC000677047340 1120239421 /nfs/dbraw/zinc/23/94/21/1120239421.db2.gz WLOWYDRXMUUJNO-LBPRGKRZSA-N 0 3 267.319 3.522 20 30 CHEDHN C#CC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921934939 1120289743 /nfs/dbraw/zinc/28/97/43/1120289743.db2.gz ICVTZTKHCNIROA-LJQANCHMSA-N 0 3 291.394 3.866 20 30 CHEDHN C=C(Cl)CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000309545072 1120321985 /nfs/dbraw/zinc/32/19/85/1120321985.db2.gz GTTSAZXPMDGKSA-SECBINFHSA-N 0 3 260.164 3.757 20 30 CHEDHN N#Cc1ccc(F)c(CN2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000011470483 1120452922 /nfs/dbraw/zinc/45/29/22/1120452922.db2.gz XDAFLBJQNXQJCS-PBHICJAKSA-N 0 3 272.367 3.852 20 30 CHEDHN CC[C@H](N[C@H](CO)c1ccccc1C)c1ccc(C#N)cc1 ZINC000618571607 1128920478 /nfs/dbraw/zinc/92/04/78/1128920478.db2.gz XLMZSOSTAFLRFO-RBUKOAKNSA-N 0 3 294.398 3.641 20 30 CHEDHN C=CCCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000132564979 1120515556 /nfs/dbraw/zinc/51/55/56/1120515556.db2.gz XNPIDKRDPWFAGA-QGZVFWFLSA-N 0 3 280.371 3.532 20 30 CHEDHN CC(C)c1c[nH]c(CNC(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000922604251 1120562239 /nfs/dbraw/zinc/56/22/39/1120562239.db2.gz RBVHGVLLVPASOT-UHFFFAOYSA-N 0 3 296.418 3.516 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000046777294 1120562608 /nfs/dbraw/zinc/56/26/08/1120562608.db2.gz VJBFKVWURPOSBI-UHFFFAOYSA-N 0 3 285.334 3.695 20 30 CHEDHN C[C@H](N[C@H]1CCCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000284212028 1120640995 /nfs/dbraw/zinc/64/09/95/1120640995.db2.gz SSJGNSTWOZIJTO-DJJJIMSYSA-N 0 3 292.382 3.992 20 30 CHEDHN C=CC[C@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000766018204 1120655518 /nfs/dbraw/zinc/65/55/18/1120655518.db2.gz GJZAVRKZCNFXEH-KSSFIOAISA-N 0 3 294.398 3.985 20 30 CHEDHN C[C@H]1C[C@H](C)CN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162859581 1120694680 /nfs/dbraw/zinc/69/46/80/1120694680.db2.gz BNULCULVRNUGGA-RYUDHWBXSA-N 0 3 262.784 3.690 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(F)c(Br)c1 ZINC000273265565 1120773098 /nfs/dbraw/zinc/77/30/98/1120773098.db2.gz NTMWOOMLWWJYPL-SECBINFHSA-N 0 3 285.160 3.543 20 30 CHEDHN CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1F ZINC000595068923 1120772498 /nfs/dbraw/zinc/77/24/98/1120772498.db2.gz WCRYQCSKTBYWRH-WWGRRREGSA-N 0 3 260.356 3.805 20 30 CHEDHN C=CCCN1CCc2nc(-c3ccccc3)sc2C1 ZINC000661543244 1120777116 /nfs/dbraw/zinc/77/71/16/1120777116.db2.gz DMMHXBXITJRZAD-UHFFFAOYSA-N 0 3 270.401 3.744 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2cc(F)ccc21 ZINC000618805242 1128939967 /nfs/dbraw/zinc/93/99/67/1128939967.db2.gz NJRAFMSPRJYDEN-MOPGFXCFSA-N 0 3 292.357 3.962 20 30 CHEDHN C=CCC1(NCc2nc(-c3cccs3)no2)CCCC1 ZINC000661850093 1120824885 /nfs/dbraw/zinc/82/48/85/1120824885.db2.gz JYNCLTSPGWVAGD-UHFFFAOYSA-N 0 3 289.404 3.777 20 30 CHEDHN Cc1c2ccccc2n(C)c1CNCc1cccc(C#N)c1 ZINC000389095392 1120842801 /nfs/dbraw/zinc/84/28/01/1120842801.db2.gz KIYNCLNAQIWKEH-UHFFFAOYSA-N 0 3 289.382 3.648 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@H](c1nc(C)no1)C(C)C ZINC000168084899 1120915009 /nfs/dbraw/zinc/91/50/09/1120915009.db2.gz CNFJEGAMEJVMPR-KGLIPLIRSA-N 0 3 265.401 3.800 20 30 CHEDHN Clc1cnccc1NN=C(CC1CC1)c1ccccc1 ZINC000756837986 1120926337 /nfs/dbraw/zinc/92/63/37/1120926337.db2.gz FWNJPCRAOIMLSG-UHFFFAOYSA-N 0 3 285.778 3.773 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccccc1OC(F)F ZINC000313491871 1120966313 /nfs/dbraw/zinc/96/63/13/1120966313.db2.gz BJLSRIRZFUBIAA-LLVKDONJSA-N 0 3 255.308 3.905 20 30 CHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000543545082 1121038806 /nfs/dbraw/zinc/03/88/06/1121038806.db2.gz HDJVGMWYJOPYBI-CABCVRRESA-N 0 3 284.407 3.663 20 30 CHEDHN COc1ccc([C@H](C)N(C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000191865534 1128958468 /nfs/dbraw/zinc/95/84/68/1128958468.db2.gz VJJDKLVHXZQILK-ZDUSSCGKSA-N 0 3 298.361 3.899 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ccc(Br)cc2)C1 ZINC001174890463 1121070050 /nfs/dbraw/zinc/07/00/50/1121070050.db2.gz GPKHJDYZDIJYHP-LBPRGKRZSA-N 0 3 280.209 3.847 20 30 CHEDHN CCN(CC)Cc1cccc(NC2(C#N)CCC2)c1F ZINC001162315973 1121117625 /nfs/dbraw/zinc/11/76/25/1121117625.db2.gz ULWIIEKRAYFAAO-UHFFFAOYSA-N 0 3 275.371 3.526 20 30 CHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Oc1ccccc1 ZINC000512647271 1121507191 /nfs/dbraw/zinc/50/71/91/1121507191.db2.gz HEBAUSKIJQLCKQ-ZIAGYGMSSA-N 0 3 298.361 3.815 20 30 CHEDHN C#Cc1cccc(Nc2cccc3c2OCC[C@H]3N(C)C)c1 ZINC001175977984 1121510538 /nfs/dbraw/zinc/51/05/38/1121510538.db2.gz IEFMJXCCHDDTJO-GOSISDBHSA-N 0 3 292.382 3.797 20 30 CHEDHN C=C(C)CCN(Cc1cc(OC)ccc1OC)C1CC1 ZINC000509814653 1121617918 /nfs/dbraw/zinc/61/79/18/1121617918.db2.gz LOSBBTBWCZLYAV-UHFFFAOYSA-N 0 3 275.392 3.634 20 30 CHEDHN N#CC1(c2ccccc2)CCC(NCc2cscn2)CC1 ZINC000611255169 1121632154 /nfs/dbraw/zinc/63/21/54/1121632154.db2.gz USYUFQOHSWIFNL-UHFFFAOYSA-N 0 3 297.427 3.637 20 30 CHEDHN CC(C)(CCC#N)CN1CC[C@H]1c1cccc(F)c1 ZINC000611274553 1121633942 /nfs/dbraw/zinc/63/39/42/1121633942.db2.gz RAUDOIAGALNDPX-HNNXBMFYSA-N 0 3 260.356 3.902 20 30 CHEDHN C[C@@H](NCc1cc2ccccc2[nH]1)c1cccc(C#N)c1 ZINC000611438329 1121647978 /nfs/dbraw/zinc/64/79/78/1121647978.db2.gz VWCFZOGFKRKBJP-CYBMUJFWSA-N 0 3 275.355 3.890 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000397632489 1121690523 /nfs/dbraw/zinc/69/05/23/1121690523.db2.gz VYHHDODQVFOAPF-GFCCVEGCSA-N 0 3 298.308 3.711 20 30 CHEDHN C=CC[C@@H]1CCN1CCOc1ccc(Cl)c(F)c1 ZINC001176813529 1121695421 /nfs/dbraw/zinc/69/54/21/1121695421.db2.gz CXRAITIOSHBICX-LLVKDONJSA-N 0 3 269.747 3.508 20 30 CHEDHN COc1ccc(CN(C)Cc2ccc(C#N)cc2C)cc1C ZINC000614397282 1121705928 /nfs/dbraw/zinc/70/59/28/1121705928.db2.gz IHCHRXVXEJGMJK-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN CN1c2ccccc2C(C)(C)C1=CC=NNC1CCCC1 ZINC000727652984 1121730822 /nfs/dbraw/zinc/73/08/22/1121730822.db2.gz ZGZCCIFEFPQXBQ-NCZPOJDWSA-N 0 3 283.419 3.816 20 30 CHEDHN C#CC1(NCc2ccc(F)c(Br)c2)CCCC1 ZINC001179437179 1121877850 /nfs/dbraw/zinc/87/78/50/1121877850.db2.gz BUFPEIIITCRJNP-UHFFFAOYSA-N 0 3 296.183 3.624 20 30 CHEDHN C#CC[C@@H](NCc1ccc(N(C)CC)cc1)c1ccccc1 ZINC000773813640 1121871022 /nfs/dbraw/zinc/87/10/22/1121871022.db2.gz VNRCIBTWOMOWSP-HXUWFJFHSA-N 0 3 292.426 3.997 20 30 CHEDHN CO[C@]1(C)CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000280291452 1121884215 /nfs/dbraw/zinc/88/42/15/1121884215.db2.gz FDSLCAXDBQSKNC-QGZVFWFLSA-N 0 3 291.822 3.583 20 30 CHEDHN C=C1CCN(Cc2cc(C)c(C3OCCO3)cc2C)CC1 ZINC001180007483 1121936744 /nfs/dbraw/zinc/93/67/44/1121936744.db2.gz XNHNPGWZDOZZDW-UHFFFAOYSA-N 0 3 287.403 3.501 20 30 CHEDHN C#CCN(Cc1cccc(C)c1F)C1CCCCC1 ZINC001180030470 1121940249 /nfs/dbraw/zinc/94/02/49/1121940249.db2.gz MQOMNLIWXDONPF-UHFFFAOYSA-N 0 3 259.368 3.902 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1 ZINC000733323171 1121975617 /nfs/dbraw/zinc/97/56/17/1121975617.db2.gz MEFPSDWUYJOCKY-AWEZNQCLSA-N 0 3 283.346 3.689 20 30 CHEDHN C=CC[N@@H+](CCc1ccco1)Cc1ccc(C)cc1[O-] ZINC001180331643 1121981554 /nfs/dbraw/zinc/98/15/54/1121981554.db2.gz IOZYKKFXCVNWPZ-UHFFFAOYSA-N 0 3 271.360 3.524 20 30 CHEDHN C=CC[N@H+](CCc1ccco1)Cc1ccc(C)cc1[O-] ZINC001180331643 1121981563 /nfs/dbraw/zinc/98/15/63/1121981563.db2.gz IOZYKKFXCVNWPZ-UHFFFAOYSA-N 0 3 271.360 3.524 20 30 CHEDHN N#CC1(CN(CCc2ccc(F)cc2)C2CCCC2)CC1 ZINC000501527738 1121983799 /nfs/dbraw/zinc/98/37/99/1121983799.db2.gz LTWFOEFKQWVWQB-UHFFFAOYSA-N 0 3 286.394 3.917 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618802375 1121993981 /nfs/dbraw/zinc/99/39/81/1121993981.db2.gz JFEDBKBNUKTKGX-FZKQIMNGSA-N 0 3 277.371 3.600 20 30 CHEDHN C=CCOc1ccc(CNCc2cc(C)nc(C)c2)cc1 ZINC000421370922 1122104260 /nfs/dbraw/zinc/10/42/60/1122104260.db2.gz DIKGPULJOGJOEY-UHFFFAOYSA-N 0 3 282.387 3.553 20 30 CHEDHN CC(C)(C)C(C)(C)CNCc1cccc(F)c1C#N ZINC001182021531 1122107946 /nfs/dbraw/zinc/10/79/46/1122107946.db2.gz WWYQIPGYRLIMDM-UHFFFAOYSA-N 0 3 262.372 3.859 20 30 CHEDHN CCc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000035018858 1122147839 /nfs/dbraw/zinc/14/78/39/1122147839.db2.gz FVZXJKVWDBNPCA-AWEZNQCLSA-N 0 3 264.372 3.971 20 30 CHEDHN Cc1ccc([C@@H](C)N(C)Cc2cc(C#N)n(C)c2)c(C)c1 ZINC000361508690 1122327952 /nfs/dbraw/zinc/32/79/52/1122327952.db2.gz ONKBXCAOXHOCMK-OAHLLOKOSA-N 0 3 281.403 3.707 20 30 CHEDHN CCCCCCCCC[C@H](C)n1cc(CN)cnc1=N ZINC001258230923 1129049132 /nfs/dbraw/zinc/04/91/32/1129049132.db2.gz FFOCQKRZDUYOCB-AWEZNQCLSA-N 0 3 278.444 3.523 20 30 CHEDHN CC[C@H](CC(F)F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000838791348 1122432780 /nfs/dbraw/zinc/43/27/80/1122432780.db2.gz SIPZNGYJMXIVIZ-ZJUUUORDSA-N 0 3 292.285 3.685 20 30 CHEDHN COc1ccc2c(c1)[C@H](NCc1ccc(CC#N)cc1)CC2 ZINC000514940188 1122465196 /nfs/dbraw/zinc/46/51/96/1122465196.db2.gz YSMAOSRWYDUYDG-LJQANCHMSA-N 0 3 292.382 3.538 20 30 CHEDHN CCc1cccc(F)c1CN1CCC(CCC#N)CC1 ZINC000514938939 1122465966 /nfs/dbraw/zinc/46/59/66/1122465966.db2.gz QJHOPHKZEWFRNH-UHFFFAOYSA-N 0 3 274.383 3.904 20 30 CHEDHN C(#CC1CCN(Cc2ccco2)CC1)c1ccccc1 ZINC001203284661 1122506063 /nfs/dbraw/zinc/50/60/63/1122506063.db2.gz KKKRULJAMJOYIU-UHFFFAOYSA-N 0 3 265.356 3.543 20 30 CHEDHN C=CCN(Cc1cc(CO)ccc1F)CC1CCCCC1 ZINC001190984236 1122562901 /nfs/dbraw/zinc/56/29/01/1122562901.db2.gz IXDTUXJCPFCUCO-UHFFFAOYSA-N 0 3 291.410 3.886 20 30 CHEDHN C#CCN(CC)CCOc1ccc(Oc2ccccc2)cc1 ZINC001191391763 1122595131 /nfs/dbraw/zinc/59/51/31/1122595131.db2.gz ZOHVMZMWFKYDMQ-UHFFFAOYSA-N 0 3 295.382 3.813 20 30 CHEDHN CC(C)[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000437400671 1122632383 /nfs/dbraw/zinc/63/23/83/1122632383.db2.gz OHCMRBBTRCAGIL-CQSZACIVSA-N 0 3 294.345 3.780 20 30 CHEDHN Cc1ccc([C@@H](O)CN[C@@H](CCC#N)c2ccccc2)cc1 ZINC000775553845 1122662889 /nfs/dbraw/zinc/66/28/89/1122662889.db2.gz RCIMKMILXRKZLG-OALUTQOASA-N 0 3 294.398 3.663 20 30 CHEDHN C=CCCCCCN(C)Cc1cc(C#N)ccc1OC ZINC000438077903 1122676072 /nfs/dbraw/zinc/67/60/72/1122676072.db2.gz SHOLILCGCQXHQJ-UHFFFAOYSA-N 0 3 272.392 3.745 20 30 CHEDHN CCCCCCCCN1CCCCC[C@H]1C(=O)OC ZINC001193273738 1122682880 /nfs/dbraw/zinc/68/28/80/1122682880.db2.gz WFDKKLPAJRWOQF-HNNXBMFYSA-N 0 3 269.429 3.765 20 30 CHEDHN CCCN(Cc1ccc(C)o1)Cc1ccc(C#N)cc1 ZINC000120721428 1122715986 /nfs/dbraw/zinc/71/59/86/1122715986.db2.gz XWJNRITWWYEGBU-UHFFFAOYSA-N 0 3 268.360 3.872 20 30 CHEDHN C=CC[C@@H]1N([C@@H](C)C(=O)OCCCC)CCCC1(C)C ZINC001193921128 1122729694 /nfs/dbraw/zinc/72/96/94/1122729694.db2.gz UPHIKGULFHDRBY-GJZGRUSLSA-N 0 3 281.440 3.785 20 30 CHEDHN Fc1ccc(C#CCN2CCCc3ccccc3CC2)cc1 ZINC001194401918 1122772711 /nfs/dbraw/zinc/77/27/11/1122772711.db2.gz XJMSSQHPKNJYTR-UHFFFAOYSA-N 0 3 293.385 3.668 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc2c(c1)COC(C)(C)O2 ZINC000426567536 1122823975 /nfs/dbraw/zinc/82/39/75/1122823975.db2.gz WKJCRBUNOGVKMS-MRXNPFEDSA-N 0 3 287.403 3.872 20 30 CHEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C1CC(C)(C)C1 ZINC001195002996 1122831552 /nfs/dbraw/zinc/83/15/52/1122831552.db2.gz ZHYJOPPNNPHMBK-UHFFFAOYSA-N 0 3 294.345 3.780 20 30 CHEDHN C=CCN(CC=C)Cc1cc(Br)cc(C)c1O ZINC000775638267 1122842499 /nfs/dbraw/zinc/84/24/99/1122842499.db2.gz GOBLHWFZDKGLDY-UHFFFAOYSA-N 0 3 296.208 3.637 20 30 CHEDHN C=CC[NH+](CC=C)Cc1cc(Br)cc(C)c1[O-] ZINC000775638267 1122842502 /nfs/dbraw/zinc/84/25/02/1122842502.db2.gz GOBLHWFZDKGLDY-UHFFFAOYSA-N 0 3 296.208 3.637 20 30 CHEDHN C=C(Br)CNC1CC(c2ccc(C)cc2)C1 ZINC000164021112 1122847300 /nfs/dbraw/zinc/84/73/00/1122847300.db2.gz LRJUJHPTLBLWCI-UHFFFAOYSA-N 0 3 280.209 3.739 20 30 CHEDHN C=CCN(Cc1cc(C(=O)OC)sc1C)C(C)(C)C ZINC001196198274 1122910729 /nfs/dbraw/zinc/91/07/29/1122910729.db2.gz ISXOXXATGJRANW-UHFFFAOYSA-N 0 3 281.421 3.630 20 30 CHEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000426778892 1122914849 /nfs/dbraw/zinc/91/48/49/1122914849.db2.gz BPPHMBUSEXTEEO-ZYHUDNBSSA-N 0 3 288.218 3.971 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cc(Br)cs2)C1 ZINC001196440746 1122921134 /nfs/dbraw/zinc/92/11/34/1122921134.db2.gz GWTFLTYKZTZVOT-SNVBAGLBSA-N 0 3 286.238 3.909 20 30 CHEDHN C#CCN(CCOC1CCC1)[C@@H]1CCCc2ccccc21 ZINC001198105388 1122981385 /nfs/dbraw/zinc/98/13/85/1122981385.db2.gz XHGWRJSKORBONP-LJQANCHMSA-N 0 3 283.415 3.568 20 30 CHEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(C)c(F)c1 ZINC001198406263 1122990521 /nfs/dbraw/zinc/99/05/21/1122990521.db2.gz HRXXDXAPIOHARD-OAHLLOKOSA-N 0 3 290.382 3.503 20 30 CHEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(C)c(F)c1 ZINC001198406260 1122990868 /nfs/dbraw/zinc/99/08/68/1122990868.db2.gz HRXXDXAPIOHARD-HNNXBMFYSA-N 0 3 290.382 3.503 20 30 CHEDHN CC(C)CCN(CCC#N)CCCCC(F)(F)F ZINC000154865287 1129092422 /nfs/dbraw/zinc/09/24/22/1129092422.db2.gz JHRAOMYDDRAAFP-UHFFFAOYSA-N 0 3 264.335 3.981 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCO[C@H](C(C)(C)C)CC1 ZINC001198800027 1123010851 /nfs/dbraw/zinc/01/08/51/1123010851.db2.gz HDVCFYFWEHSZBO-PBHICJAKSA-N 0 3 286.419 3.756 20 30 CHEDHN C=CCNCc1cc(-c2ccccc2C)ccc1OC ZINC001199059969 1123019368 /nfs/dbraw/zinc/01/93/68/1123019368.db2.gz KUGJAEBHEJNVCL-UHFFFAOYSA-N 0 3 267.372 3.946 20 30 CHEDHN C=CCCCN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000441026126 1123051546 /nfs/dbraw/zinc/05/15/46/1123051546.db2.gz HDIAWBUKZXSUCY-KRWDZBQOSA-N 0 3 270.351 3.866 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@@H]2CCCC[C@@H]21 ZINC000543907477 1123134971 /nfs/dbraw/zinc/13/49/71/1123134971.db2.gz QKPUNAQQQMBSRZ-CSMYWGQOSA-N 0 3 272.367 3.708 20 30 CHEDHN CCCCCCCN1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001201761842 1123148452 /nfs/dbraw/zinc/14/84/52/1123148452.db2.gz SBQSGLCWFVQRIW-GJZGRUSLSA-N 0 3 251.414 3.790 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(Cl)c1N ZINC001202241330 1123192932 /nfs/dbraw/zinc/19/29/32/1123192932.db2.gz AQHPZUUEJKBLOD-MRXNPFEDSA-N 0 3 297.789 3.571 20 30 CHEDHN CCC#C[C@H](C)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000665197586 1123226523 /nfs/dbraw/zinc/22/65/23/1123226523.db2.gz GGWHJGRJKRSXSH-WMZOPIPTSA-N 0 3 283.415 3.642 20 30 CHEDHN C=CCCC(C)(C)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000850417136 1123264433 /nfs/dbraw/zinc/26/44/33/1123264433.db2.gz MGJYQGYFMZTHDL-UHFFFAOYSA-N 0 3 263.381 3.625 20 30 CHEDHN C=C[C@H](CO)N[C@H](C)c1ccccc1SC(C)(C)C ZINC000850571901 1123295200 /nfs/dbraw/zinc/29/52/00/1123295200.db2.gz FDNMREPUXFGHJH-CHWSQXEVSA-N 0 3 279.449 3.775 20 30 CHEDHN C#CCCCN1CCc2nc(-c3ccccc3)sc2C1 ZINC000852477818 1123406436 /nfs/dbraw/zinc/40/64/36/1123406436.db2.gz YOCSWTTXFJLNID-UHFFFAOYSA-N 0 3 282.412 3.582 20 30 CHEDHN C=C(Cl)CN[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852727985 1123414166 /nfs/dbraw/zinc/41/41/66/1123414166.db2.gz VYCFXRSYKTXVSI-UONOGXRCSA-N 0 3 288.218 3.740 20 30 CHEDHN N#Cc1c(F)cccc1CN1CCCC12CCCCC2 ZINC000428292347 1123494605 /nfs/dbraw/zinc/49/46/05/1123494605.db2.gz BHYXPXHSLACVPW-UHFFFAOYSA-N 0 3 272.367 3.996 20 30 CHEDHN FC(F)(F)C1(CNCC#Cc2ccccc2)CCCC1 ZINC000895656935 1123502639 /nfs/dbraw/zinc/50/26/39/1123502639.db2.gz RZCGIYLHSQNKAV-UHFFFAOYSA-N 0 3 281.321 3.750 20 30 CHEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000114617979 1123569608 /nfs/dbraw/zinc/56/96/08/1123569608.db2.gz PTKJPYOMNYFVEQ-BBRMVZONSA-N 0 3 298.386 3.550 20 30 CHEDHN C#Cc1ccc(CNC(C)(C)c2ccc(OC)c(F)c2)cc1 ZINC000858257120 1123640251 /nfs/dbraw/zinc/64/02/51/1123640251.db2.gz COLLQVUCGOLPNP-UHFFFAOYSA-N 0 3 297.373 3.841 20 30 CHEDHN C#CC[C@H](COC)NCc1ccc(-c2cccs2)cc1 ZINC000858333821 1123646189 /nfs/dbraw/zinc/64/61/89/1123646189.db2.gz CERLNLGMQWLSSI-MRXNPFEDSA-N 0 3 285.412 3.543 20 30 CHEDHN C=CCC[C@@H](N[C@H]1CC=C(C(=O)OCC)C1)c1ccco1 ZINC000858507645 1123659255 /nfs/dbraw/zinc/65/92/55/1123659255.db2.gz KIGLENFCKNFOIT-LSDHHAIUSA-N 0 3 289.375 3.528 20 30 CHEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccnc(F)c1 ZINC000859101123 1123684641 /nfs/dbraw/zinc/68/46/41/1123684641.db2.gz MIAKGQNUDPJFSZ-UHFFFAOYSA-N 0 3 297.377 3.751 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346620427 1123698296 /nfs/dbraw/zinc/69/82/96/1123698296.db2.gz IJFFVMFTJLYKBX-DYVFJYSZSA-N 0 3 270.351 3.864 20 30 CHEDHN C=CCN(CC=C)Cc1cccc(-c2ccncc2)c1 ZINC000158134127 1129139747 /nfs/dbraw/zinc/13/97/47/1129139747.db2.gz AUBQWUGQUASIAD-UHFFFAOYSA-N 0 3 264.372 3.923 20 30 CHEDHN CC(C)c1ccc2c(c1)[C@@H](NCCCC#N)CCCO2 ZINC000346802549 1123715432 /nfs/dbraw/zinc/71/54/32/1123715432.db2.gz CVPDLFIELMFMHZ-INIZCTEOSA-N 0 3 272.392 3.917 20 30 CHEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)C(F)(F)F ZINC000860482186 1123734624 /nfs/dbraw/zinc/73/46/24/1123734624.db2.gz AIMWJKKFEMLQJR-IUCAKERBSA-N 0 3 296.248 3.593 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000862445066 1123810642 /nfs/dbraw/zinc/81/06/42/1123810642.db2.gz LESSPCWFFNAPLA-LLVKDONJSA-N 0 3 299.748 3.787 20 30 CHEDHN CC[C@H]1CN(CCCCC(C)(C)C#N)[C@@H](CC)CO1 ZINC000403905526 1123835713 /nfs/dbraw/zinc/83/57/13/1123835713.db2.gz WSXWGOKXAUPHOX-GJZGRUSLSA-N 0 3 266.429 3.596 20 30 CHEDHN N#Cc1c(F)cccc1CN[C@H](Cc1ccccc1)C1CC1 ZINC000428353638 1123994869 /nfs/dbraw/zinc/99/48/69/1123994869.db2.gz VRTFOOCKKWLISE-LJQANCHMSA-N 0 3 294.373 3.808 20 30 CHEDHN C#Cc1ccc(CNCc2csc(C)c2C)cc1 ZINC000865679953 1124004763 /nfs/dbraw/zinc/00/47/63/1124004763.db2.gz KVAWLTLWMFNTBY-UHFFFAOYSA-N 0 3 255.386 3.636 20 30 CHEDHN Cc1cc(C)cc(CN(C)Cc2ccc(C#N)c(F)c2)c1 ZINC000444704998 1124054422 /nfs/dbraw/zinc/05/44/22/1124054422.db2.gz LVCYBUUWAWPYPA-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(ccnc2Cl)o1 ZINC000866379160 1124059996 /nfs/dbraw/zinc/05/99/96/1124059996.db2.gz IFOVJLHCZYVGTI-OUAUKWLOSA-N 0 3 289.766 3.824 20 30 CHEDHN CC(C)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000444773908 1124062224 /nfs/dbraw/zinc/06/22/24/1124062224.db2.gz TZWWDVYXYSDKOW-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN COc1cc(CNCc2ccc(C3CC3)cc2)ccc1C#N ZINC000440631549 1124071823 /nfs/dbraw/zinc/07/18/23/1124071823.db2.gz AHQMQEABSUPEOZ-UHFFFAOYSA-N 0 3 292.382 3.734 20 30 CHEDHN C#CCC1(NCc2nc(Cl)cs2)CCCCC1 ZINC000897337350 1124074889 /nfs/dbraw/zinc/07/48/89/1124074889.db2.gz ZYVDIIDQWDHKMB-UHFFFAOYSA-N 0 3 268.813 3.612 20 30 CHEDHN C=CCN(C)Cc1ccc(Cl)c(Br)c1 ZINC000428393712 1124075982 /nfs/dbraw/zinc/07/59/82/1124075982.db2.gz ZMURXAYWVVLJIH-UHFFFAOYSA-N 0 3 274.589 3.720 20 30 CHEDHN CC(C)[C@@H](CC(F)(F)F)NCC#Cc1ccc(F)cc1 ZINC000445902900 1124106178 /nfs/dbraw/zinc/10/61/78/1124106178.db2.gz HKEDRVUCHRWHHD-CQSZACIVSA-N 0 3 287.300 3.744 20 30 CHEDHN Cc1ccc2nccc(N[C@@H]3CCc4cc(C#N)ccc43)c2c1 ZINC000618693302 1124109472 /nfs/dbraw/zinc/10/94/72/1124109472.db2.gz DCLISEHFZMWHDH-LJQANCHMSA-N 0 3 299.377 3.936 20 30 CHEDHN C=CCCC(C)(C)NCc1nc2cc(F)ccc2o1 ZINC000634987028 1129168293 /nfs/dbraw/zinc/16/82/93/1129168293.db2.gz KIPWDTXCHINIFU-UHFFFAOYSA-N 0 3 262.328 3.801 20 30 CHEDHN C=C(CN[C@@H]1CCCc2occc21)c1ccccc1 ZINC000447546438 1124486389 /nfs/dbraw/zinc/48/63/89/1124486389.db2.gz VWVXSMPBCSFBJE-MRXNPFEDSA-N 0 3 253.345 3.960 20 30 CHEDHN CC[C@@H](NCc1scnc1C)c1ccc(C#N)cc1 ZINC000447563625 1124490459 /nfs/dbraw/zinc/49/04/59/1124490459.db2.gz RDAGVSPCBWDCOZ-CQSZACIVSA-N 0 3 271.389 3.564 20 30 CHEDHN C=CCCCCNCc1ncc(C(C)(C)C)s1 ZINC000447899207 1124541760 /nfs/dbraw/zinc/54/17/60/1124541760.db2.gz RLPSQOYYXSCRQW-UHFFFAOYSA-N 0 3 252.427 3.887 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2cc(C3CC3)ccc2F)C1 ZINC000449373515 1124705217 /nfs/dbraw/zinc/70/52/17/1124705217.db2.gz RMYHFYCWXFWUHK-LRDDRELGSA-N 0 3 272.367 3.875 20 30 CHEDHN N#Cc1ccc(/C=C/c2cncc(CN3CCCC3)c2)cc1 ZINC001239302778 1131312257 /nfs/dbraw/zinc/31/22/57/1131312257.db2.gz CVFXLCXDEGRPOS-VMPITWQZSA-N 0 3 289.382 3.719 20 30 CHEDHN CCCCCCCN(C)Cc1cnn(C(C)C)c1 ZINC001137077791 1124825519 /nfs/dbraw/zinc/82/55/19/1124825519.db2.gz JIMFDAQQMSLOEV-UHFFFAOYSA-N 0 3 251.418 3.866 20 30 CHEDHN C=CCC[C@@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000449694061 1124839666 /nfs/dbraw/zinc/83/96/66/1124839666.db2.gz AMJRIBKUJXXQEF-ZDUSSCGKSA-N 0 3 289.350 3.502 20 30 CHEDHN CC[C@@H]1CCCC[C@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001123381616 1131313559 /nfs/dbraw/zinc/31/35/59/1131313559.db2.gz KIRZNLLGUGXNBY-RTXFEEFZSA-N 0 3 292.329 3.752 20 30 CHEDHN C[C@H]1C[C@H](C(=O)C(C#N)c2ncc(F)cc2F)C[C@@H](C)C1 ZINC001123477176 1131314953 /nfs/dbraw/zinc/31/49/53/1131314953.db2.gz RFBGNAIYYFJCAD-WGBDABJCSA-N 0 3 292.329 3.608 20 30 CHEDHN CC(C)(C)C1CC(C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001123476787 1131315509 /nfs/dbraw/zinc/31/55/09/1131315509.db2.gz OUEOCTSUGCPRDS-RTYFJBAXSA-N 0 3 292.329 3.608 20 30 CHEDHN C=CCN(CCCc1cc(CC)no1)Cc1cccs1 ZINC000450221537 1124950903 /nfs/dbraw/zinc/95/09/03/1124950903.db2.gz SZIPCRGGOPAGRH-UHFFFAOYSA-N 0 3 290.432 3.919 20 30 CHEDHN N#CC1(CN2CCC[C@@H]2CCc2ccccc2)CCC1 ZINC000450267330 1124964540 /nfs/dbraw/zinc/96/45/40/1124964540.db2.gz AMWUZZHHEHBRGK-QGZVFWFLSA-N 0 3 268.404 3.777 20 30 CHEDHN C=CCCCCCN(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876748460 1124975444 /nfs/dbraw/zinc/97/54/44/1124975444.db2.gz BZOMQUVPVOAZQN-UHFFFAOYSA-N 0 3 274.364 3.712 20 30 CHEDHN N#Cc1cnc(Cl)c(CN2CCCC23CCCCC3)c1 ZINC000876773139 1124976622 /nfs/dbraw/zinc/97/66/22/1124976622.db2.gz MEYCITHXJMNHTK-UHFFFAOYSA-N 0 3 289.810 3.905 20 30 CHEDHN C[C@H](CCc1ccccc1)NCc1cc(C#N)cnc1Cl ZINC000876893991 1124988656 /nfs/dbraw/zinc/98/86/56/1124988656.db2.gz LQBGRJQINYNMQE-CYBMUJFWSA-N 0 3 299.805 3.718 20 30 CHEDHN CC1(C)CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877058493 1125004146 /nfs/dbraw/zinc/00/41/46/1125004146.db2.gz YWGIYBOKLUXDKP-UHFFFAOYSA-N 0 3 277.799 3.665 20 30 CHEDHN CC[C@@H](C)C[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877067714 1125005540 /nfs/dbraw/zinc/00/55/40/1125005540.db2.gz LQFOXTFHTYOMPV-GHMZBOCLSA-N 0 3 265.788 3.521 20 30 CHEDHN C#C[C@@H](N[C@@H]1CCCSCC1)c1ccc(Cl)cc1 ZINC000825949035 1125019854 /nfs/dbraw/zinc/01/98/54/1125019854.db2.gz OFRQBPLSPWISIY-HUUCEWRRSA-N 0 3 279.836 3.890 20 30 CHEDHN C#C[C@H](N[C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1 ZINC000877544117 1125041886 /nfs/dbraw/zinc/04/18/86/1125041886.db2.gz METNIIDLKADTNH-IRXDYDNUSA-N 0 3 287.378 3.581 20 30 CHEDHN CC[C@H]1CC[C@H](NCc2cc(C#N)cnc2Cl)CC1 ZINC000877549080 1125042278 /nfs/dbraw/zinc/04/22/78/1125042278.db2.gz YDNZZZMJZQJASX-YEORSEQZSA-N 0 3 277.799 3.665 20 30 CHEDHN Cc1cc(CN(C)CCc2cccc(C#N)c2)cc(Cl)n1 ZINC000877703964 1125066427 /nfs/dbraw/zinc/06/64/27/1125066427.db2.gz CUFDRIRRWWVQLV-UHFFFAOYSA-N 0 3 299.805 3.590 20 30 CHEDHN Cc1ccc(C2=CCN(CC3(CC#N)CC3)CC2)cc1 ZINC000877910377 1125100370 /nfs/dbraw/zinc/10/03/70/1125100370.db2.gz UFUNMYKEXUKJQD-UHFFFAOYSA-N 0 3 266.388 3.778 20 30 CHEDHN CC1(C#N)CCN(C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878389741 1125147818 /nfs/dbraw/zinc/14/78/18/1125147818.db2.gz RUFHRZABECOGPT-IAGOWNOFSA-N 0 3 284.403 3.532 20 30 CHEDHN C#CCCCCCNC1(c2nc(C)cs2)CCC1 ZINC000878417350 1125151995 /nfs/dbraw/zinc/15/19/95/1125151995.db2.gz KSRYRJJKRCUIFO-UHFFFAOYSA-N 0 3 262.422 3.614 20 30 CHEDHN C=CCOc1cccc(CNCc2ccccc2N(C)C)c1 ZINC000531250379 1125205284 /nfs/dbraw/zinc/20/52/84/1125205284.db2.gz WSUPHNPSIDIKJV-UHFFFAOYSA-N 0 3 296.414 3.607 20 30 CHEDHN CN(CCc1cccc(C#N)c1)C[C@@]1(C)CC1(Cl)Cl ZINC000879432225 1125213828 /nfs/dbraw/zinc/21/38/28/1125213828.db2.gz GAZSLKGMPAHOSU-CQSZACIVSA-N 0 3 297.229 3.616 20 30 CHEDHN FC(F)(F)[C@@H]1CC=CC[C@H]1NCC#Cc1ccccc1 ZINC000879672746 1125225843 /nfs/dbraw/zinc/22/58/43/1125225843.db2.gz UNPGMGQDQUEYCO-HUUCEWRRSA-N 0 3 279.305 3.525 20 30 CHEDHN Cc1c(Cl)ccc2c1CN(CCCCC#N)CC2 ZINC000879768826 1125233071 /nfs/dbraw/zinc/23/30/71/1125233071.db2.gz IKMXPVQKUHYANB-UHFFFAOYSA-N 0 3 262.784 3.700 20 30 CHEDHN C[C@@H](c1ccccc1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000880248702 1125260193 /nfs/dbraw/zinc/26/01/93/1125260193.db2.gz XNVGYAVIEFQROT-KRWDZBQOSA-N 0 3 299.462 3.695 20 30 CHEDHN Cn1cc(CN(Cc2ccoc2)C2CCCCC2)cc1C#N ZINC000191387246 1125359807 /nfs/dbraw/zinc/35/98/07/1125359807.db2.gz INSVNTCATNJTPU-UHFFFAOYSA-N 0 3 297.402 3.825 20 30 CHEDHN C=CCC[C@H](NCc1oc(CCC)nc1C)[C@H]1CCCO1 ZINC000883224311 1125380213 /nfs/dbraw/zinc/38/02/13/1125380213.db2.gz JLUNARKYHVADLD-LSDHHAIUSA-N 0 3 292.423 3.539 20 30 CHEDHN C=CCSCCN[C@@H](C)c1ccccc1Cl ZINC000165293734 1125409319 /nfs/dbraw/zinc/40/93/19/1125409319.db2.gz GYGUEQMUIVFONR-NSHDSACASA-N 0 3 255.814 3.910 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(F)cc2)cc1 ZINC000131764675 1125409840 /nfs/dbraw/zinc/40/98/40/1125409840.db2.gz QTGLITNCTBRTQM-CQSZACIVSA-N 0 3 283.346 3.689 20 30 CHEDHN Cc1ccc(CN[C@H]2c3ccccc3NC2(C)C)cc1C#N ZINC000883463968 1125411710 /nfs/dbraw/zinc/41/17/10/1125411710.db2.gz BUPQRGYFRNAMIG-SFHVURJKSA-N 0 3 291.398 3.902 20 30 CHEDHN C=CCCCCCC[C@@H](O)CN[C@@H](C)c1ccoc1 ZINC001253251716 1125424560 /nfs/dbraw/zinc/42/45/60/1125424560.db2.gz NJVUAFPMJKWKPN-GOEBONIOSA-N 0 3 265.397 3.818 20 30 CHEDHN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(CC#N)cc1 ZINC000348246576 1125430289 /nfs/dbraw/zinc/43/02/89/1125430289.db2.gz RDUPXKIOTRAHHQ-SMDDNHRTSA-N 0 3 282.309 3.525 20 30 CHEDHN C=CCOc1ccc(CN(C)[C@H](C)c2ccncc2)cc1 ZINC000348060654 1129278317 /nfs/dbraw/zinc/27/83/17/1129278317.db2.gz UXQWKIQXVZVJDE-OAHLLOKOSA-N 0 3 282.387 3.839 20 30 CHEDHN CCCN(Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735308964 1129338872 /nfs/dbraw/zinc/33/88/72/1129338872.db2.gz AENDCTUIHBJSJF-UHFFFAOYSA-N 0 3 278.783 3.617 20 30 CHEDHN Cc1cccc2c1CCN([C@H](C)c1ccc(C#N)cc1)C2 ZINC000735670403 1129356199 /nfs/dbraw/zinc/35/61/99/1129356199.db2.gz DNVIGECFPRDORC-OAHLLOKOSA-N 0 3 276.383 3.986 20 30 CHEDHN C#CCCN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000796113437 1129467464 /nfs/dbraw/zinc/46/74/64/1129467464.db2.gz LGOMOAYPLZKUKX-UHFFFAOYSA-N 0 3 265.759 3.714 20 30 CHEDHN C#CCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796140508 1129468983 /nfs/dbraw/zinc/46/89/83/1129468983.db2.gz ITGWAKJPLLYUSS-CYBMUJFWSA-N 0 3 267.294 3.518 20 30 CHEDHN COc1ccc(CNC(C)(C)c2cccs2)cc1C#N ZINC000742372398 1129475500 /nfs/dbraw/zinc/47/55/00/1129475500.db2.gz ZFHFPSBXPHTMTJ-UHFFFAOYSA-N 0 3 286.400 3.653 20 30 CHEDHN C=CCN(Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000648517090 1129610518 /nfs/dbraw/zinc/61/05/18/1129610518.db2.gz ACWHACFFGDYQSD-UHFFFAOYSA-N 0 3 262.740 3.632 20 30 CHEDHN CC[C@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1 ZINC001169012783 1129690033 /nfs/dbraw/zinc/69/00/33/1129690033.db2.gz ASNDEFZRWKENBM-IBGZPJMESA-N 0 3 276.383 3.895 20 30 CHEDHN CC(C)C[C@@H](Cc1ccccc1)NC(=N)c1ccc(F)cn1 ZINC001169058752 1129693769 /nfs/dbraw/zinc/69/37/69/1129693769.db2.gz KOGSELNGBUFKRI-INIZCTEOSA-N 0 3 299.393 3.583 20 30 CHEDHN CCC#C[C@@H](C)N1CCC([C@H](O)c2ccccc2C)CC1 ZINC000796419603 1129702218 /nfs/dbraw/zinc/70/22/18/1129702218.db2.gz SPNKKFARIAQKOU-APWZRJJASA-N 0 3 285.431 3.542 20 30 CHEDHN C=CC[C@@H]1CC[C@H](N[C@@H](COC)c2ccc(C)o2)C1 ZINC000651728567 1129746200 /nfs/dbraw/zinc/74/62/00/1129746200.db2.gz CPMPJRPPRPIHLB-ILXRZTDVSA-N 0 3 263.381 3.610 20 30 CHEDHN C=C[C@@H]1CCCCN1CCOc1ccc(SC)cc1 ZINC001169864388 1129762909 /nfs/dbraw/zinc/76/29/09/1129762909.db2.gz NZGIMNKATKUZKH-CQSZACIVSA-N 0 3 277.433 3.828 20 30 CHEDHN CC[C@@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCCO1 ZINC000653875585 1129799342 /nfs/dbraw/zinc/79/93/42/1129799342.db2.gz WVKOCYCBVUKGRV-IAGOWNOFSA-N 0 3 291.822 3.629 20 30 CHEDHN C=CC[C@H](N[C@H](C)c1cncc(C)c1)c1ccncc1 ZINC000768223171 1129843901 /nfs/dbraw/zinc/84/39/01/1129843901.db2.gz KAPOAMVQNAEHAH-PBHICJAKSA-N 0 3 267.376 3.753 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc(OCC)c1O ZINC000768552742 1129862154 /nfs/dbraw/zinc/86/21/54/1129862154.db2.gz YSNPVLUQRAKHHQ-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN CCCC[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000800387655 1129868538 /nfs/dbraw/zinc/86/85/38/1129868538.db2.gz QPNSZHYRVCAAKO-NEPJUHHUSA-N 0 3 270.332 3.830 20 30 CHEDHN COc1ccc(CN2CC[C@@H](C3CCCCC3)C2)c(C#N)c1 ZINC001137704502 1131404192 /nfs/dbraw/zinc/40/41/92/1131404192.db2.gz IWSVRVBEACPEFY-QGZVFWFLSA-N 0 3 298.430 3.969 20 30 CHEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccsc1 ZINC000800889525 1129895980 /nfs/dbraw/zinc/89/59/80/1129895980.db2.gz QAWHIZSMDGPRQU-AWEZNQCLSA-N 0 3 299.443 3.949 20 30 CHEDHN CC(C)[C@@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1F ZINC000801939015 1129961980 /nfs/dbraw/zinc/96/19/80/1129961980.db2.gz OPICSSRNPYWILW-IAQYHMDHSA-N 0 3 298.789 3.694 20 30 CHEDHN C#CCN(CC)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000746138621 1129964826 /nfs/dbraw/zinc/96/48/26/1129964826.db2.gz CSJBJZVGRPBXQF-NSHDSACASA-N 0 3 255.283 3.722 20 30 CHEDHN C#CC[C@H](NCc1cc(C)ccc1NC)c1ccccc1 ZINC000902415303 1130008998 /nfs/dbraw/zinc/00/89/98/1130008998.db2.gz DBUVABLHIOMDCD-IBGZPJMESA-N 0 3 278.399 3.891 20 30 CHEDHN C=CCC[C@@H](NCc1nc(C)cs1)[C@@]1(C)CCCCO1 ZINC000902735481 1130047165 /nfs/dbraw/zinc/04/71/65/1130047165.db2.gz DOZAGRBJPYCDRN-GDBMZVCRSA-N 0 3 294.464 3.835 20 30 CHEDHN CC[C@@H](NCc1c(C)nn(CC)c1C)c1cccc(C#N)c1 ZINC000902790968 1130059158 /nfs/dbraw/zinc/05/91/58/1130059158.db2.gz TYDMNIVCLITZRJ-GOSISDBHSA-N 0 3 296.418 3.632 20 30 CHEDHN CC[C@H](N[C@@H](CO)c1ccccc1C)c1cccc(C#N)c1 ZINC000902830412 1130066141 /nfs/dbraw/zinc/06/61/41/1130066141.db2.gz NKMGRMKASOQPDZ-OALUTQOASA-N 0 3 294.398 3.641 20 30 CHEDHN CC[C@H](N[C@@H](COC)c1ccccc1)c1cccc(C#N)c1 ZINC000902867295 1130074320 /nfs/dbraw/zinc/07/43/20/1130074320.db2.gz ZHKQPZPWPLBDMO-OALUTQOASA-N 0 3 294.398 3.987 20 30 CHEDHN C=CCC[C@@H](NCc1cnc(CC)o1)[C@@]1(C)CCCCO1 ZINC000903012991 1130100347 /nfs/dbraw/zinc/10/03/47/1130100347.db2.gz WKIFAUUPUXOXPU-NVXWUHKLSA-N 0 3 292.423 3.621 20 30 CHEDHN C=C(CN[C@@H](c1ccccn1)C1CC1)c1ccccc1 ZINC000903083682 1130109921 /nfs/dbraw/zinc/10/99/21/1130109921.db2.gz LRAJSADZLPNKKK-GOSISDBHSA-N 0 3 264.372 3.836 20 30 CHEDHN N#CC1(CN[C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000903107043 1130113936 /nfs/dbraw/zinc/11/39/36/1130113936.db2.gz ZNHARLDTGHNVFT-ZFWWWQNUSA-N 0 3 274.795 3.869 20 30 CHEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCCC2)c2c1c(F)ccc2O ZINC000903108830 1130114394 /nfs/dbraw/zinc/11/43/94/1130114394.db2.gz HPBWSCARJNHVLF-DGCLKSJQSA-N 0 3 288.366 3.753 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2cscc2C)cc1 ZINC000786928554 1130122803 /nfs/dbraw/zinc/12/28/03/1130122803.db2.gz TZYNZDAFADBMAV-CQSZACIVSA-N 0 3 285.412 3.919 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(F)nc1C ZINC000787127418 1130132839 /nfs/dbraw/zinc/13/28/39/1130132839.db2.gz BOSHRVBXJCJJPU-UHFFFAOYSA-N 0 3 284.378 3.760 20 30 CHEDHN CC(C)CN(C/C=C/Cl)Cc1ccc(C#N)cc1 ZINC000746660489 1130136252 /nfs/dbraw/zinc/13/62/52/1130136252.db2.gz WSMYASIOUPGBIB-FPYGCLRLSA-N 0 3 262.784 3.769 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cc2cccc(OC)c2o1 ZINC000787309662 1130146973 /nfs/dbraw/zinc/14/69/73/1130146973.db2.gz KZPMEMMFDOLOMB-CQSZACIVSA-N 0 3 271.360 3.982 20 30 CHEDHN C[C@H](CCC#N)C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000787770237 1130163419 /nfs/dbraw/zinc/16/34/19/1130163419.db2.gz PDFQZVMZRNCREY-OAHLLOKOSA-N 0 3 298.386 3.927 20 30 CHEDHN C[C@H](CCC#N)C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000787770237 1130163424 /nfs/dbraw/zinc/16/34/24/1130163424.db2.gz PDFQZVMZRNCREY-OAHLLOKOSA-N 0 3 298.386 3.927 20 30 CHEDHN N#Cc1ccc(OCCCN2CC[C@@H]2c2ccccc2)cc1 ZINC000748818987 1130249327 /nfs/dbraw/zinc/24/93/27/1130249327.db2.gz ACQVVGJVJAOGJE-LJQANCHMSA-N 0 3 292.382 3.774 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)c1ccc(C)cc1)c1ccco1 ZINC000789744027 1130275426 /nfs/dbraw/zinc/27/54/26/1130275426.db2.gz ONCITGKNLKKFOQ-SJORKVTESA-N 0 3 285.387 3.919 20 30 CHEDHN C=CC[C@H](C)NCc1cnn(Cc2ccccc2)c1Cl ZINC000790541645 1130320203 /nfs/dbraw/zinc/32/02/03/1130320203.db2.gz AQWSSDQKZNPQBM-ZDUSSCGKSA-N 0 3 289.810 3.639 20 30 CHEDHN C=C(C)CN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000678784105 1130455158 /nfs/dbraw/zinc/45/51/58/1130455158.db2.gz VHPRKMJCBNDBIC-CYBMUJFWSA-N 0 3 273.298 3.559 20 30 CHEDHN C=CCCCNc1cccc(N2CCCC[C@H]2C)n1 ZINC001170298507 1130476211 /nfs/dbraw/zinc/47/62/11/1130476211.db2.gz FBAYVWCKQYYNDX-CQSZACIVSA-N 0 3 259.397 3.839 20 30 CHEDHN C=CCCCCC[C@@H](C)N[C@@H](C)c1nnc2ccccn21 ZINC000793515020 1130560807 /nfs/dbraw/zinc/56/08/07/1130560807.db2.gz HRBSPCPCIMPFQX-CABCVRRESA-N 0 3 286.423 3.905 20 30 CHEDHN C#CCN(Cc1ccc(F)cc1)CC1(SC)CCC1 ZINC000811459115 1130610454 /nfs/dbraw/zinc/61/04/54/1130610454.db2.gz XGHQUMGZLXQTSS-UHFFFAOYSA-N 0 3 277.408 3.547 20 30 CHEDHN C#CCN(Cc1cncc(C(F)(F)F)c1)C1CCCCC1 ZINC000812824598 1130715967 /nfs/dbraw/zinc/71/59/67/1130715967.db2.gz XLWLYKRNKWWDFX-UHFFFAOYSA-N 0 3 296.336 3.868 20 30 CHEDHN C#C[C@@H](N[C@H](C)Cc1ccccc1OC)c1ccc(F)cc1 ZINC000812793840 1130718067 /nfs/dbraw/zinc/71/80/67/1130718067.db2.gz HFBWLWQUBGQNQQ-RDTXWAMCSA-N 0 3 297.373 3.729 20 30 CHEDHN C#C[C@@H](N[C@@H](C)Cc1ccccc1OC)c1ccc(F)cc1 ZINC000812793837 1130718949 /nfs/dbraw/zinc/71/89/49/1130718949.db2.gz HFBWLWQUBGQNQQ-KBXCAEBGSA-N 0 3 297.373 3.729 20 30 CHEDHN C[C@H]1c2ccccc2CCN1Cc1ccccc1CC#N ZINC001235512856 1130750306 /nfs/dbraw/zinc/75/03/06/1130750306.db2.gz WLGUCHRZOASJNM-HNNXBMFYSA-N 0 3 276.383 3.872 20 30 CHEDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001235681137 1130767292 /nfs/dbraw/zinc/76/72/92/1130767292.db2.gz YSKHLBOJCBNVNC-AWEZNQCLSA-N 0 3 286.419 3.815 20 30 CHEDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001235681137 1130767296 /nfs/dbraw/zinc/76/72/96/1130767296.db2.gz YSKHLBOJCBNVNC-AWEZNQCLSA-N 0 3 286.419 3.815 20 30 CHEDHN C#CCN(Cc1ccc(NC)cc1)[C@@H]1CCc2ccccc21 ZINC001235833067 1130786028 /nfs/dbraw/zinc/78/60/28/1130786028.db2.gz BXMVQOSOUDQZGO-HXUWFJFHSA-N 0 3 290.410 3.851 20 30 CHEDHN C#CCCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000783005436 1130794070 /nfs/dbraw/zinc/79/40/70/1130794070.db2.gz XAYUDMICCDIADI-QGZVFWFLSA-N 0 3 284.790 3.632 20 30 CHEDHN C=CCCSCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000696127636 1130816058 /nfs/dbraw/zinc/81/60/58/1130816058.db2.gz USYVXVFZUZLWOX-ZDUSSCGKSA-N 0 3 265.422 3.661 20 30 CHEDHN CC(C)C(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000784490885 1130906914 /nfs/dbraw/zinc/90/69/14/1130906914.db2.gz ZSSXUABQUMZGJZ-LLVKDONJSA-N 0 3 270.332 3.686 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccccn1 ZINC000796784436 1130932092 /nfs/dbraw/zinc/93/20/92/1130932092.db2.gz UXBZBFSUTGWGBN-FPCVCCKLSA-N 0 3 282.387 3.864 20 30 CHEDHN C#CCN(Cc1ccc(C(C)C)nc1C)C1CCCC1 ZINC000815060872 1130955031 /nfs/dbraw/zinc/95/50/31/1130955031.db2.gz DGQMRWBFJNXBQC-UHFFFAOYSA-N 0 3 270.420 3.891 20 30 CHEDHN Cc1nc(C)c(CN2CCC(C#Cc3ccccc3)CC2)o1 ZINC001236596955 1130981907 /nfs/dbraw/zinc/98/19/07/1130981907.db2.gz KPTHUWUUZNSGJQ-UHFFFAOYSA-N 0 3 294.398 3.555 20 30 CHEDHN C=CCCCCN(C)Cc1cc(F)cc2c1OCCC2 ZINC001236624869 1130985837 /nfs/dbraw/zinc/98/58/37/1130985837.db2.gz CATMOFQRYDMEJS-UHFFFAOYSA-N 0 3 277.383 3.939 20 30 CHEDHN C#CC1CCN(Cc2ccnc3c(Cl)cccc23)CC1 ZINC001237152185 1131059638 /nfs/dbraw/zinc/05/96/38/1131059638.db2.gz LLPPZOCAGIPSFX-UHFFFAOYSA-N 0 3 284.790 3.733 20 30 CHEDHN C[C@@H]1CCCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237745152 1131137567 /nfs/dbraw/zinc/13/75/67/1131137567.db2.gz CGOXGTJCJWMTQF-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN C=C[C@H](COC)N[C@H](CCC)c1ccc(Cl)cc1 ZINC001116643653 1131159238 /nfs/dbraw/zinc/15/92/38/1131159238.db2.gz ROERLNAGRKPXPW-HUUCEWRRSA-N 0 3 267.800 3.972 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc2cncn21 ZINC001238119703 1131172095 /nfs/dbraw/zinc/17/20/95/1131172095.db2.gz QKBDRWQFRNFUOF-UHFFFAOYSA-N 0 3 277.371 3.523 20 30 CHEDHN CN(Cc1ccccc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238193468 1131179369 /nfs/dbraw/zinc/17/93/69/1131179369.db2.gz CTTPLWYWHZPLLH-UHFFFAOYSA-N 0 3 270.763 3.844 20 30 CHEDHN C=CCn1cc(CN[C@H](CCCCC)C(C)(C)C)nn1 ZINC000818346398 1131207887 /nfs/dbraw/zinc/20/78/87/1131207887.db2.gz DSTFNTHSQXPBQL-OAHLLOKOSA-N 0 3 278.444 3.549 20 30 CHEDHN C#C[C@H](C)N(C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000829283545 1131416683 /nfs/dbraw/zinc/41/66/83/1131416683.db2.gz RPVRDXQIIOOLQN-RYUDHWBXSA-N 0 3 269.310 3.806 20 30 CHEDHN N#Cc1ccccc1CN[C@H]1CCc2c(Cl)cccc2C1 ZINC001171018319 1131427311 /nfs/dbraw/zinc/42/73/11/1131427311.db2.gz RUFWSEVQQQVFFG-INIZCTEOSA-N 0 3 296.801 3.859 20 30 CHEDHN C=CC[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccncc1 ZINC000830263677 1131449870 /nfs/dbraw/zinc/44/98/70/1131449870.db2.gz HCVSRPGNBKZDPZ-GOSISDBHSA-N 0 3 296.414 3.716 20 30 CHEDHN N#CC[C@H]1CCCN([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171051808 1131461921 /nfs/dbraw/zinc/46/19/21/1131461921.db2.gz XDMLFKXYFMQBBJ-HIFRSBDPSA-N 0 3 288.822 3.823 20 30 CHEDHN C#CCN(CC)Cc1ccc(-c2scnc2C)cc1 ZINC000824621098 1131478458 /nfs/dbraw/zinc/47/84/58/1131478458.db2.gz IPTIZOIZGWTSMG-UHFFFAOYSA-N 0 3 270.401 3.574 20 30 CHEDHN CN(Cc1c[nH]c2cccc(F)c12)Cc1ccc(C#N)cc1 ZINC001136984577 1131497684 /nfs/dbraw/zinc/49/76/84/1131497684.db2.gz MSYUAFRQMPXUIY-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN Cc1c2ccccc2[nH]c1CN1CCC[C@H](C#N)CC1 ZINC001138401427 1131499167 /nfs/dbraw/zinc/49/91/67/1131499167.db2.gz FUYVNFMTVJCFMH-AWEZNQCLSA-N 0 3 267.376 3.602 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCCNc3ccccc32)c1 ZINC000825226517 1131503366 /nfs/dbraw/zinc/50/33/66/1131503366.db2.gz HXWAFIVFRIJPOC-LJQANCHMSA-N 0 3 276.383 3.705 20 30 CHEDHN C#Cc1cccc(CNCc2ccccc2C2CC2)c1 ZINC000825227676 1131504791 /nfs/dbraw/zinc/50/47/91/1131504791.db2.gz XOCNQOWHXQYCKA-UHFFFAOYSA-N 0 3 261.368 3.835 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCCCC23CC3)c1[O-] ZINC001138628290 1131527888 /nfs/dbraw/zinc/52/78/88/1131527888.db2.gz RFSWQSSMDJUAOQ-UHFFFAOYSA-N 0 3 257.377 3.639 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCCCC23CC3)c1[O-] ZINC001138628290 1131527892 /nfs/dbraw/zinc/52/78/92/1131527892.db2.gz RFSWQSSMDJUAOQ-UHFFFAOYSA-N 0 3 257.377 3.639 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1[O-] ZINC001138625858 1131528198 /nfs/dbraw/zinc/52/81/98/1131528198.db2.gz VEPZTFJVRXBVSV-GOSISDBHSA-N 0 3 294.398 3.853 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1[O-] ZINC001138625858 1131528200 /nfs/dbraw/zinc/52/82/00/1131528200.db2.gz VEPZTFJVRXBVSV-GOSISDBHSA-N 0 3 294.398 3.853 20 30 CHEDHN C=CCc1cccc(C[NH+]2CCC(CC)CC2)c1[O-] ZINC001138625235 1131528284 /nfs/dbraw/zinc/52/82/84/1131528284.db2.gz IEJXTIUMYHRVLP-UHFFFAOYSA-N 0 3 259.393 3.743 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c1[O-] ZINC001138628123 1131528458 /nfs/dbraw/zinc/52/84/58/1131528458.db2.gz OWJHZRJPRFZMOU-AWEZNQCLSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](C(F)F)C2)c1[O-] ZINC001138628123 1131528462 /nfs/dbraw/zinc/52/84/62/1131528462.db2.gz OWJHZRJPRFZMOU-AWEZNQCLSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)CCc2cccc(F)c2)c1[O-] ZINC001138630248 1131529293 /nfs/dbraw/zinc/52/92/93/1131529293.db2.gz SZXSNMJKRWZJJH-UHFFFAOYSA-N 0 3 299.389 3.934 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)CCc2cccc(F)c2)c1[O-] ZINC001138630248 1131529296 /nfs/dbraw/zinc/52/92/96/1131529296.db2.gz SZXSNMJKRWZJJH-UHFFFAOYSA-N 0 3 299.389 3.934 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)CCOc2ccccc2)c1[O-] ZINC001138629346 1131529690 /nfs/dbraw/zinc/52/96/90/1131529690.db2.gz VJQWYGUUGJSEER-UHFFFAOYSA-N 0 3 297.398 3.632 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)CCOc2ccccc2)c1[O-] ZINC001138629346 1131529692 /nfs/dbraw/zinc/52/96/92/1131529692.db2.gz VJQWYGUUGJSEER-UHFFFAOYSA-N 0 3 297.398 3.632 20 30 CHEDHN C=C(C)COc1ccccc1CN(C)CCc1cccnc1 ZINC001138665691 1131533964 /nfs/dbraw/zinc/53/39/64/1131533964.db2.gz TXWCIGJLPNVLBP-UHFFFAOYSA-N 0 3 296.414 3.711 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC(SC)CC1 ZINC001138665493 1131534022 /nfs/dbraw/zinc/53/40/22/1131534022.db2.gz NMDUQDYJQKXKGU-UHFFFAOYSA-N 0 3 291.460 3.969 20 30 CHEDHN C=CCN(Cc1cnc(SC)nc1)C1CCCCC1 ZINC001138706526 1131539265 /nfs/dbraw/zinc/53/92/65/1131539265.db2.gz DCCRGRNVEIVFRD-UHFFFAOYSA-N 0 3 277.437 3.519 20 30 CHEDHN C=CC[C@@H](C)NCc1cnn(Cc2ccccc2)c1Cl ZINC000790541642 1131548072 /nfs/dbraw/zinc/54/80/72/1131548072.db2.gz AQWSSDQKZNPQBM-CYBMUJFWSA-N 0 3 289.810 3.639 20 30 CHEDHN CN(Cc1ccc2c(ccn2C)c1)Cc1cccc(C#N)c1 ZINC001139193123 1131593637 /nfs/dbraw/zinc/59/36/37/1131593637.db2.gz XTHGJQWMAIZLDH-UHFFFAOYSA-N 0 3 289.382 3.682 20 30 CHEDHN C=CCN(Cc1c[nH]c(-c2ccccc2)n1)C(C)(C)C ZINC001139556968 1131616490 /nfs/dbraw/zinc/61/64/90/1131616490.db2.gz GXNSJBHWJULDCR-UHFFFAOYSA-N 0 3 269.392 3.863 20 30 CHEDHN CCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1CC ZINC001139624164 1131624582 /nfs/dbraw/zinc/62/45/82/1131624582.db2.gz SKLMBGNFESNOOW-HNNXBMFYSA-N 0 3 286.419 3.773 20 30 CHEDHN N#Cc1cccc2c(CN3CC4CCC(CC4)C3)c[nH]c21 ZINC001139707368 1131631486 /nfs/dbraw/zinc/63/14/86/1131631486.db2.gz XZMZKLZPNANJFM-UHFFFAOYSA-N 0 3 279.387 3.662 20 30 CHEDHN N#Cc1cc(F)cc(CN2CC[C@H](Cc3ccccc3)C2)c1 ZINC001139875582 1131643763 /nfs/dbraw/zinc/64/37/63/1131643763.db2.gz UZTVPMWMFWSKKJ-MRXNPFEDSA-N 0 3 294.373 3.762 20 30 CHEDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(C#N)c1 ZINC000834612469 1131687881 /nfs/dbraw/zinc/68/78/81/1131687881.db2.gz TYJMRSKRHUPJDN-WBMJQRKESA-N 0 3 278.355 3.602 20 30 CHEDHN CCCCCCCCN[C@@H](C)c1nccn1CC ZINC000834629869 1131689183 /nfs/dbraw/zinc/68/91/83/1131689183.db2.gz QEGTYCYFEOBXAD-AWEZNQCLSA-N 0 3 251.418 3.914 20 30 CHEDHN C=CCCCN[C@@H](C)c1nc(Br)cs1 ZINC000834787216 1131705664 /nfs/dbraw/zinc/70/56/64/1131705664.db2.gz HZRDYKNZPWTHCX-QMMMGPOBSA-N 0 3 275.215 3.522 20 30 CHEDHN CCCCCCCCC/C=C\C(=O)N[C@@H]1CCCN(C)C1 ZINC001144808427 1131710074 /nfs/dbraw/zinc/71/00/74/1131710074.db2.gz VOTIQHQJEVILJF-VWILAXROSA-N 0 3 294.483 3.894 20 30 CHEDHN C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000834890432 1131719450 /nfs/dbraw/zinc/71/94/50/1131719450.db2.gz JTXQJUNVUWUOTJ-HNNXBMFYSA-N 0 3 295.382 3.563 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2ccc3c(c2)COC3)c1 ZINC000834902329 1131725990 /nfs/dbraw/zinc/72/59/90/1131725990.db2.gz GWHMBFQKPRLPKP-CQSZACIVSA-N 0 3 277.367 3.549 20 30 CHEDHN Cc1cc(C#N)ccc1NC[C@H](c1cccs1)N(C)C ZINC000846745630 1131726936 /nfs/dbraw/zinc/72/69/36/1131726936.db2.gz LFMWZZNDHUKIIX-OAHLLOKOSA-N 0 3 285.416 3.643 20 30 CHEDHN N#Cc1ccc2c(c1)CN(C[C@@H]1CCc3ccccc31)C2 ZINC000847043154 1131775766 /nfs/dbraw/zinc/77/57/66/1131775766.db2.gz ALZFGZWRCLRCTF-KRWDZBQOSA-N 0 3 274.367 3.604 20 30 CHEDHN CN(Cc1cc(C#N)ccc1Cl)CC1CCCC1 ZINC001140602798 1131823606 /nfs/dbraw/zinc/82/36/06/1131823606.db2.gz PQBABHNMBFUWRH-UHFFFAOYSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCCC(C)(C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001148687783 1131867738 /nfs/dbraw/zinc/86/77/38/1131867738.db2.gz MAKHOKWXCIUQQQ-UHFFFAOYSA-N 0 3 299.418 3.765 20 30 CHEDHN CN1CC[C@@H](Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228560905 1131910634 /nfs/dbraw/zinc/91/06/34/1131910634.db2.gz FBBREUAWOANGCE-QGZVFWFLSA-N 0 3 280.371 3.520 20 30 CHEDHN N#Cc1cccc(CN2CC[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001140810681 1131933006 /nfs/dbraw/zinc/93/30/06/1131933006.db2.gz CEABWWXMAQJCRP-GXTWGEPZSA-N 0 3 274.795 3.834 20 30 CHEDHN N#CCCN(C1CCCC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171434910 1132012788 /nfs/dbraw/zinc/01/27/88/1132012788.db2.gz VESLZWWMJKCBHF-INIZCTEOSA-N 0 3 286.394 3.841 20 30 CHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCOC2(CCCCC2)C1 ZINC001172311150 1132154649 /nfs/dbraw/zinc/15/46/49/1132154649.db2.gz QASGQUUAMQZTDZ-MRXNPFEDSA-N 0 3 298.430 3.524 20 30 CHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@@H]1c1nccs1 ZINC001172319263 1132158620 /nfs/dbraw/zinc/15/86/20/1132158620.db2.gz LWBXRPKLYWCHCC-CZUORRHYSA-N 0 3 297.427 3.783 20 30 CHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1c(F)cccc1F ZINC001172293283 1132165984 /nfs/dbraw/zinc/16/59/84/1132165984.db2.gz UMUTUZBWIUNQAV-LBPRGKRZSA-N 0 3 286.325 3.557 20 30 CHEDHN CC[C@H](C)OCC[C@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001172332892 1132172702 /nfs/dbraw/zinc/17/27/02/1132172702.db2.gz VFTAGTMIZFNZJM-GJZGRUSLSA-N 0 3 286.419 3.510 20 30 CHEDHN CCCCCCC[C@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000839190886 1132189732 /nfs/dbraw/zinc/18/97/32/1132189732.db2.gz KQWJMAAIAGLCFE-KBPBESRZSA-N 0 3 251.418 3.820 20 30 CHEDHN C=CCCCN(C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839492639 1132218283 /nfs/dbraw/zinc/21/82/83/1132218283.db2.gz BWRDPRFUZOKKKM-UHFFFAOYSA-N 0 3 285.309 3.830 20 30 CHEDHN C[C@H](CCCC#N)NCc1c(F)cccc1Cl ZINC001172479641 1132227500 /nfs/dbraw/zinc/22/75/00/1132227500.db2.gz IXQLJFJMTRQKJU-SNVBAGLBSA-N 0 3 254.736 3.651 20 30 CHEDHN C[C@H](CCCC#N)NCc1c(F)ccc(Cl)c1F ZINC001172478596 1132228026 /nfs/dbraw/zinc/22/80/26/1132228026.db2.gz DFRUQSUDGIOCFY-SECBINFHSA-N 0 3 272.726 3.790 20 30 CHEDHN C[C@@H](CCCC#N)N1CCc2cccc(Cl)c2C1 ZINC001172497777 1132248238 /nfs/dbraw/zinc/24/82/38/1132248238.db2.gz FQZGQWBWJOLREC-LBPRGKRZSA-N 0 3 262.784 3.780 20 30 CHEDHN CCN(Cc1cccc(F)c1F)[C@@H](C)CCCC#N ZINC001172509664 1132257253 /nfs/dbraw/zinc/25/72/53/1132257253.db2.gz NKJJDBVLFOZNDV-LBPRGKRZSA-N 0 3 266.335 3.869 20 30 CHEDHN CCCCCCC[C@H](CCC)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001172511526 1132258441 /nfs/dbraw/zinc/25/84/41/1132258441.db2.gz SFWXTMTXQDGNOZ-BBWFWOEESA-N 0 3 295.467 3.663 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CC[C@@H](CC#N)C2)c([O-])c1 ZINC000840708524 1132272648 /nfs/dbraw/zinc/27/26/48/1132272648.db2.gz XWFJHXUNSFADLG-HMDVAMRSSA-N 0 3 299.418 3.740 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CS[C@@H](C)C2)c([O-])c1 ZINC000840711877 1132274468 /nfs/dbraw/zinc/27/44/68/1132274468.db2.gz SXCRGFIRWYZVRE-NCQPTCLOSA-N 0 3 292.448 3.551 20 30 CHEDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)CC#N)c([O-])c1 ZINC000840787359 1132287505 /nfs/dbraw/zinc/28/75/05/1132287505.db2.gz LBIHUYTYRVTXRE-CYBMUJFWSA-N 0 3 260.381 3.600 20 30 CHEDHN C=C[C@@H](N[C@@H](C)CCC(=O)OC(C)C)c1ccccc1 ZINC001172749291 1132307140 /nfs/dbraw/zinc/30/71/40/1132307140.db2.gz JOOOJXSSVGDMSY-GOEBONIOSA-N 0 3 275.392 3.624 20 30 CHEDHN N#C[C@H]1CCN(C2CCC(Cc3ccccc3)CC2)C1 ZINC001172824561 1132321772 /nfs/dbraw/zinc/32/17/72/1132321772.db2.gz BLQXKWGUSZJLES-LXPRWKDFSA-N 0 3 268.404 3.633 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001231620883 1132326727 /nfs/dbraw/zinc/32/67/27/1132326727.db2.gz OWHZAZGKOUDZLC-HZPDHXFCSA-N 0 3 284.403 3.579 20 30 CHEDHN C=CCOc1cccc(CN2CCC(C)(F)CC2)c1 ZINC001231621328 1132328155 /nfs/dbraw/zinc/32/81/55/1132328155.db2.gz XZCYYEMAFNSBRW-UHFFFAOYSA-N 0 3 263.356 3.575 20 30 CHEDHN CCCC[C@@H](CC(C)C)NCc1ncc(C#N)s1 ZINC001173256902 1132424888 /nfs/dbraw/zinc/42/48/88/1132424888.db2.gz ORULNOGKLHZGOG-LBPRGKRZSA-N 0 3 265.426 3.709 20 30 CHEDHN C[C@H]1CCCN(Cc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC001232120071 1132425810 /nfs/dbraw/zinc/42/58/10/1132425810.db2.gz LVTYBRCNEVESHQ-RYUDHWBXSA-N 0 3 262.784 3.832 20 30 CHEDHN C=CCOC1CCC(N[C@H](CF)c2ccccc2)CC1 ZINC001173313689 1132451937 /nfs/dbraw/zinc/45/19/37/1132451937.db2.gz DHYXECMCEWMCLR-OFLPRAFFSA-N 0 3 277.383 3.801 20 30 CHEDHN C=CCN(Cc1ccc(SC)nc1)C(C)(C)C ZINC001232330435 1132457125 /nfs/dbraw/zinc/45/71/25/1132457125.db2.gz TZKZARDMNRETCG-UHFFFAOYSA-N 0 3 250.411 3.590 20 30 CHEDHN C[C@@H](N)c1nc2ccccc2n1C1CCC(CC#N)CC1 ZINC001173324261 1132460405 /nfs/dbraw/zinc/46/04/05/1132460405.db2.gz KTIZNWRMXQDMLQ-IYXRBSQSSA-N 0 3 282.391 3.701 20 30 CHEDHN Cc1ccc(F)c(CNC2CCC(CC#N)CC2)c1F ZINC001173325459 1132461760 /nfs/dbraw/zinc/46/17/60/1132461760.db2.gz IXVBHXGRRPEKGG-UHFFFAOYSA-N 0 3 278.346 3.835 20 30 CHEDHN Cc1nc([C@@H](C)NC2CCC(CC#N)CC2)cs1 ZINC001173328181 1132463004 /nfs/dbraw/zinc/46/30/04/1132463004.db2.gz QTPNFEFDAHKVJE-QFWMXSHPSA-N 0 3 263.410 3.575 20 30 CHEDHN N#CCC1CCC(NCc2c(Cl)cncc2Cl)CC1 ZINC001173329774 1132463719 /nfs/dbraw/zinc/46/37/19/1132463719.db2.gz MVCKTFNZVNNJCR-UHFFFAOYSA-N 0 3 298.217 3.950 20 30 CHEDHN N#CCC1CCC(NCc2nccc(Cl)c2Cl)CC1 ZINC001173334734 1132465162 /nfs/dbraw/zinc/46/51/62/1132465162.db2.gz WNFFQCCKGCSWOG-UHFFFAOYSA-N 0 3 298.217 3.950 20 30 CHEDHN N#CCc1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000842889454 1132473574 /nfs/dbraw/zinc/47/35/74/1132473574.db2.gz YDPITAHKGRMRON-OAHLLOKOSA-N 0 3 297.789 3.578 20 30 CHEDHN N#Cc1ccc2c(CN3CCCCC34CC4)c[nH]c2c1 ZINC001142922679 1132479041 /nfs/dbraw/zinc/47/90/41/1132479041.db2.gz QDXHMPOWCPTHKW-UHFFFAOYSA-N 0 3 265.360 3.558 20 30 CHEDHN N#Cc1ccc2c(CN3CCC[C@@H]4CCC[C@H]43)c[nH]c2c1 ZINC001142922766 1132479200 /nfs/dbraw/zinc/47/92/00/1132479200.db2.gz URQYTKZIMFKQES-KBXCAEBGSA-N 0 3 279.387 3.804 20 30 CHEDHN COc1cc(C)c(CN(C)Cc2cccc(C#N)c2)c(C)c1 ZINC001142948937 1132487200 /nfs/dbraw/zinc/48/72/00/1132487200.db2.gz GJBMDKZZYUEIII-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN CC(C)N(CCCCCO)Cc1ccc(Cl)cc1C#N ZINC001232608460 1132492276 /nfs/dbraw/zinc/49/22/76/1132492276.db2.gz IZNLEBQYCVCWBQ-UHFFFAOYSA-N 0 3 294.826 3.585 20 30 CHEDHN CN(CCc1cccc(Cl)c1)Cc1ccc(C#N)s1 ZINC001232845758 1132528424 /nfs/dbraw/zinc/52/84/24/1132528424.db2.gz OQGWHPQSSCWGIQ-UHFFFAOYSA-N 0 3 290.819 3.948 20 30 CHEDHN Cc1ccc(CN2C3CCCC2CCC3)c(C#N)c1 ZINC001232968829 1132552494 /nfs/dbraw/zinc/55/24/94/1132552494.db2.gz NKZCEOWHZBELJY-UHFFFAOYSA-N 0 3 254.377 3.774 20 30 CHEDHN C#Cc1cccc(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174396541 1132812174 /nfs/dbraw/zinc/81/21/74/1132812174.db2.gz GMQKCWQUOHFELH-UHFFFAOYSA-N 0 3 288.394 3.870 20 30 CHEDHN Cc1cnccc1Nc1sc2ccccc2c1C#N ZINC001174535950 1132895246 /nfs/dbraw/zinc/89/52/46/1132895246.db2.gz DKZGXIMZOFIVRW-UHFFFAOYSA-N 0 3 265.341 3.642 20 30 CHEDHN Cc1cnccc1Nc1ccc(C(C)C)cc1C#N ZINC001174539613 1132899126 /nfs/dbraw/zinc/89/91/26/1132899126.db2.gz NBGXDXQQAVIVKO-UHFFFAOYSA-N 0 3 251.333 3.551 20 30 CHEDHN CC(C)P(CCNc1nccc(C#N)c1F)C(C)C ZINC001162357620 1133071221 /nfs/dbraw/zinc/07/12/21/1133071221.db2.gz CUBIZFIICXEBAD-UHFFFAOYSA-N 0 3 281.315 3.803 20 30 CHEDHN O=C1C=C2CN(Cc3ccc4ccccc4c3)CCC2S1 ZINC001203998330 1133396667 /nfs/dbraw/zinc/39/66/67/1133396667.db2.gz IDDHIJHAZNYNFY-KRWDZBQOSA-N 0 3 295.407 3.614 20 30 CHEDHN N#C[C@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001204432077 1133446249 /nfs/dbraw/zinc/44/62/49/1133446249.db2.gz KYZWIZOTSQUHHF-LBPRGKRZSA-N 0 3 298.308 3.711 20 30 CHEDHN C[C@H](c1nccc2ccccc21)N1CCC(C#N)CC1 ZINC001204461510 1133449759 /nfs/dbraw/zinc/44/97/59/1133449759.db2.gz SOABVINFZKDUCS-CYBMUJFWSA-N 0 3 265.360 3.531 20 30 CHEDHN CC(C)(C)C1CCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC000163599441 1133622013 /nfs/dbraw/zinc/62/20/13/1133622013.db2.gz QHLKGQWCDGQUFD-UHFFFAOYSA-N 0 3 274.383 3.955 20 30 CHEDHN C#C[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC001205980388 1133637214 /nfs/dbraw/zinc/63/72/14/1133637214.db2.gz JNCQTXGRDUHADS-HJWJTTGWSA-N 0 3 257.352 3.668 20 30 CHEDHN C#C[C@@H](NC1CCC2(CSC2)CC1)c1ccc(F)cc1 ZINC001205980559 1133638124 /nfs/dbraw/zinc/63/81/24/1133638124.db2.gz OWGNNANETRXGCD-MRXNPFEDSA-N 0 3 289.419 3.765 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(CCCc1cccc(F)c1)C2 ZINC001207599346 1133826306 /nfs/dbraw/zinc/82/63/06/1133826306.db2.gz JATBEKBOSIPKCF-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1cc(C(F)(F)F)n(C)n1 ZINC001207758047 1133845998 /nfs/dbraw/zinc/84/59/98/1133845998.db2.gz RGWSLSYDNAJODG-LLVKDONJSA-N 0 3 289.345 3.663 20 30 CHEDHN CCCCCCC/C=C/CN1CCC(NC(=O)CC)CC1 ZINC001208118146 1133879347 /nfs/dbraw/zinc/87/93/47/1133879347.db2.gz DSULGYSSQGBJLZ-ZHACJKMWSA-N 0 3 294.483 3.894 20 30 CHEDHN CN(CCCc1cccc(C#N)c1)Cc1ccc(Cl)nc1 ZINC001208850377 1133951836 /nfs/dbraw/zinc/95/18/36/1133951836.db2.gz AZPBNDBZGXQJAB-UHFFFAOYSA-N 0 3 299.805 3.671 20 30 CHEDHN C=CCCCCN1CCc2nn(-c3ccccc3)cc2C1 ZINC001209207033 1133987581 /nfs/dbraw/zinc/98/75/81/1133987581.db2.gz IMJBDBCQBCJBMY-UHFFFAOYSA-N 0 3 281.403 3.587 20 30 CHEDHN C=CCCCCCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209440353 1134019882 /nfs/dbraw/zinc/01/98/82/1134019882.db2.gz IEYTWWXZQTWIIF-UHFFFAOYSA-N 0 3 259.393 3.887 20 30 CHEDHN C=CCCCCCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001209440353 1134019888 /nfs/dbraw/zinc/01/98/88/1134019888.db2.gz IEYTWWXZQTWIIF-UHFFFAOYSA-N 0 3 259.393 3.887 20 30 CHEDHN Cc1ccc2[nH]cc(CN3CCC(C)(C#N)CC3)c2c1 ZINC001209494862 1134029528 /nfs/dbraw/zinc/02/95/28/1134029528.db2.gz QNEZOCXUPLCFMW-UHFFFAOYSA-N 0 3 267.376 3.602 20 30 CHEDHN C=CCN(Cc1nn(C)c2ccccc12)C1CCCCC1 ZINC001209584752 1134040071 /nfs/dbraw/zinc/04/00/71/1134040071.db2.gz LYWUBAUNXSFNSY-UHFFFAOYSA-N 0 3 283.419 3.894 20 30 CHEDHN CC(C)(C)c1cc(Nc2ccc(O)c(C#N)c2)ccn1 ZINC001210527973 1134240640 /nfs/dbraw/zinc/24/06/40/1134240640.db2.gz ZEGGXTRGLRCZRE-UHFFFAOYSA-N 0 3 267.332 3.700 20 30 CHEDHN CC#Cc1cncc(Nc2ccnc(C(C)(C)C)c2)c1 ZINC001211055694 1134357899 /nfs/dbraw/zinc/35/78/99/1134357899.db2.gz BUWXHNVFKGUNER-UHFFFAOYSA-N 0 3 265.360 3.889 20 30 CHEDHN Cc1nc2ccc(Nc3ccsc3C#N)cc2[nH]1 ZINC001213071530 1134420617 /nfs/dbraw/zinc/42/06/17/1134420617.db2.gz WNDWTFNVSHDNDY-UHFFFAOYSA-N 0 3 254.318 3.548 20 30 CHEDHN C=CCCCCCCCCO[C@H]1CCNC[C@H]1F ZINC001217793662 1135002365 /nfs/dbraw/zinc/00/23/65/1135002365.db2.gz DFGACFHRRXEHGG-CABCVRRESA-N 0 3 257.393 3.620 20 30 CHEDHN C=CC[C@@H](OC[C@H]1COC(C)(C)N1)c1ccc(Cl)cc1 ZINC001217930789 1135026614 /nfs/dbraw/zinc/02/66/14/1135026614.db2.gz MOGPCCHPTLYXQD-LSDHHAIUSA-N 0 3 295.810 3.698 20 30 CHEDHN C=CCc1ccc(O[C@@H]2CNCc3ccccc32)c(OC)c1 ZINC001218485914 1135115857 /nfs/dbraw/zinc/11/58/57/1135115857.db2.gz FVHMJOKPMUHVKV-LJQANCHMSA-N 0 3 295.382 3.647 20 30 CHEDHN C=C[C@@H]1C[C@]1(N)C(=O)Nc1ccc(CCCCCC)cc1 ZINC001218837794 1135121365 /nfs/dbraw/zinc/12/13/65/1135121365.db2.gz IHXIMDIHLHMKIQ-CRAIPNDOSA-N 0 3 286.419 3.651 20 30 CHEDHN CCCN(CCC)Cc1ccc(Br)cc1C#N ZINC000310387089 1135124468 /nfs/dbraw/zinc/12/44/68/1135124468.db2.gz QQBYNLRUVSWYIY-UHFFFAOYSA-N 0 3 295.224 3.943 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc2cc[nH]c21 ZINC001219110936 1135127256 /nfs/dbraw/zinc/12/72/56/1135127256.db2.gz ZMOKACRUPVFRCK-AWEZNQCLSA-N 0 3 285.391 3.570 20 30 CHEDHN N#C[C@@H](O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001223714931 1135375075 /nfs/dbraw/zinc/37/50/75/1135375075.db2.gz RMYHSWIMJGMBNN-RTBURBONSA-N 0 3 292.382 3.542 20 30 CHEDHN C=CCCCCO[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224335085 1135440576 /nfs/dbraw/zinc/44/05/76/1135440576.db2.gz KXKKKXNLIJSFSE-IRXDYDNUSA-N 0 3 288.435 3.980 20 30 CHEDHN C=C(CC)CNCc1ccc(OC(C)C)c(OC)c1 ZINC000313490396 260298429 /nfs/dbraw/zinc/29/84/29/260298429.db2.gz VSTCGKNTFPKVRB-UHFFFAOYSA-N 0 3 263.381 3.538 20 30 CHEDHN C=CCCCN(C)Cc1c(F)cccc1N1CCCC1 ZINC000574300411 335008696 /nfs/dbraw/zinc/00/86/96/335008696.db2.gz GPXUHIGBAIJRIA-UHFFFAOYSA-N 0 3 276.399 3.824 20 30 CHEDHN CC(C)(C#N)CCCN1CCC(CC(F)(F)F)CC1 ZINC000560169205 327288331 /nfs/dbraw/zinc/28/83/31/327288331.db2.gz MMIIEQKHYBDQNN-UHFFFAOYSA-N 0 3 276.346 3.981 20 30 CHEDHN N#CC(CCc1ccccc1)C(=O)NC1(C2CCC2)CCC1 ZINC000574773400 335046829 /nfs/dbraw/zinc/04/68/29/335046829.db2.gz YFCQERDITYZXDK-MRXNPFEDSA-N 0 3 296.414 3.598 20 30 CHEDHN C=CCCCNCc1c(F)ccc(Br)c1F ZINC000304204712 260004347 /nfs/dbraw/zinc/00/43/47/260004347.db2.gz CQVFCTYUKSJBAB-UHFFFAOYSA-N 0 3 290.151 3.783 20 30 CHEDHN C=CC[C@@H](C)NCc1nc(-c2ccccc2)cs1 ZINC000116926765 260007840 /nfs/dbraw/zinc/00/78/40/260007840.db2.gz RRPOUSXRQJEBNW-GFCCVEGCSA-N 0 3 258.390 3.864 20 30 CHEDHN C=CCC[C@@H](CC)NCc1cc(COC(C)(C)C)on1 ZINC000186829908 260013117 /nfs/dbraw/zinc/01/31/17/260013117.db2.gz UUGIFCNGWRVYLX-CYBMUJFWSA-N 0 3 280.412 3.824 20 30 CHEDHN C[C@@H](NCCC[C@@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000354989233 533387631 /nfs/dbraw/zinc/38/76/31/533387631.db2.gz WTXGOIWRBQMBJC-HIFRSBDPSA-N 0 3 290.382 3.697 20 30 CHEDHN N#Cc1ccc(C2=CCN(CCCCCF)CC2)cc1 ZINC000341901293 130141644 /nfs/dbraw/zinc/14/16/44/130141644.db2.gz CFUBJEPCUZBSKL-UHFFFAOYSA-N 0 3 272.367 3.787 20 30 CHEDHN N#Cc1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000020209630 171073247 /nfs/dbraw/zinc/07/32/47/171073247.db2.gz HCDIHXBLNLWNEA-UHFFFAOYSA-N 0 3 256.736 3.501 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000035174411 172027680 /nfs/dbraw/zinc/02/76/80/172027680.db2.gz UYSNYJJDDTUHGI-PBHICJAKSA-N 0 3 254.377 3.713 20 30 CHEDHN C=CCOc1ccc(CNCc2cccc(OC)c2)cc1 ZINC000037486653 173230304 /nfs/dbraw/zinc/23/03/04/173230304.db2.gz WCJSVAQVZUJHHC-UHFFFAOYSA-N 0 3 283.371 3.550 20 30 CHEDHN Cc1ccc(COc2ccc(CNCCCC#N)cc2)cc1 ZINC000344324366 225047267 /nfs/dbraw/zinc/04/72/67/225047267.db2.gz KUYIFJJEYKHKGS-UHFFFAOYSA-N 0 3 294.398 3.967 20 30 CHEDHN N#Cc1cccc(CNC[C@@H]2SCCc3ccccc32)c1 ZINC000344761666 225157268 /nfs/dbraw/zinc/15/72/68/225157268.db2.gz PVDHSQXRNVOZPR-SFHVURJKSA-N 0 3 294.423 3.678 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCNc3ccccc32)cc1F ZINC000334738498 225297185 /nfs/dbraw/zinc/29/71/85/225297185.db2.gz MQYJLNMZADCZPB-SFHVURJKSA-N 0 3 295.361 3.734 20 30 CHEDHN Cc1csc([C@@H](C)NC2CCC(C)(C#N)CC2)n1 ZINC000334679306 225247034 /nfs/dbraw/zinc/24/70/34/225247034.db2.gz XFGAMNYWBHVSBQ-LKSINWNRSA-N 0 3 263.410 3.575 20 30 CHEDHN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(CC#N)cc2)C1 ZINC000347173324 226069523 /nfs/dbraw/zinc/06/95/23/226069523.db2.gz SLQJREODBICTRY-HNAYVOBHSA-N 0 3 291.398 3.731 20 30 CHEDHN N#Cc1ccc(CN(C2CC2)[C@@H]2C=CCCC2)cc1 ZINC000171735262 335076669 /nfs/dbraw/zinc/07/66/69/335076669.db2.gz OQXYSVFTEIDJLW-MRXNPFEDSA-N 0 3 252.361 3.631 20 30 CHEDHN COc1ccc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353896189 226808468 /nfs/dbraw/zinc/80/84/68/226808468.db2.gz DZPYLBSSJCOPOD-QGZVFWFLSA-N 0 3 295.386 3.615 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3occc31)CC2 ZINC000353429139 228100881 /nfs/dbraw/zinc/10/08/81/228100881.db2.gz SGZISUHIPPELQW-DLBZAZTESA-N 0 3 278.355 3.806 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccoc1 ZINC000336084031 228186077 /nfs/dbraw/zinc/18/60/77/228186077.db2.gz UAVAPIXBSZVIFS-QGZVFWFLSA-N 0 3 266.344 3.709 20 30 CHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000037284501 260079273 /nfs/dbraw/zinc/07/92/73/260079273.db2.gz IHFGCHCUKCDRQJ-KBPBESRZSA-N 0 3 275.355 3.842 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)[C@H](C)C2 ZINC000180145791 260094680 /nfs/dbraw/zinc/09/46/80/260094680.db2.gz FXCHZGXAWLHKIK-AUUYWEPGSA-N 0 3 276.383 3.890 20 30 CHEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)[C@@H](C)C2 ZINC000180145841 260095010 /nfs/dbraw/zinc/09/50/10/260095010.db2.gz FXCHZGXAWLHKIK-LIRRHRJNSA-N 0 3 276.383 3.890 20 30 CHEDHN C=C(C)CN1CCC(NC(=O)C2(C)CCCCCC2)CC1 ZINC000180722907 260109206 /nfs/dbraw/zinc/10/92/06/260109206.db2.gz NOKCMLJQUMTFIX-UHFFFAOYSA-N 0 3 292.467 3.504 20 30 CHEDHN Cc1cc(C)c(CNCc2ccc(C#N)cc2)c(C)c1 ZINC000037505882 260113607 /nfs/dbraw/zinc/11/36/07/260113607.db2.gz VTHLWCFRJGEXHN-UHFFFAOYSA-N 0 3 264.372 3.773 20 30 CHEDHN COc1cccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000037508463 260113707 /nfs/dbraw/zinc/11/37/07/260113707.db2.gz YRAZXQKZQBSNBK-KGLIPLIRSA-N 0 3 280.371 3.979 20 30 CHEDHN C=CCC[C@H](CC)NCc1nc2cc(C)ccc2n1C ZINC000187575717 260145192 /nfs/dbraw/zinc/14/51/92/260145192.db2.gz RKGMZWQXPPLYHR-AWEZNQCLSA-N 0 3 271.408 3.716 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)s1 ZINC000309506174 260172297 /nfs/dbraw/zinc/17/22/97/260172297.db2.gz BZAHBMZNMBKTHN-LPEHRKFASA-N 0 3 254.786 3.744 20 30 CHEDHN Cc1[nH]c2ccccc2c1C1CCN(CCCC#N)CC1 ZINC000052464783 260211373 /nfs/dbraw/zinc/21/13/73/260211373.db2.gz DNHIPAASUHQGFK-UHFFFAOYSA-N 0 3 281.403 3.960 20 30 CHEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000130425894 260395529 /nfs/dbraw/zinc/39/55/29/260395529.db2.gz YOMPBGXUAFQHDP-CZUORRHYSA-N 0 3 272.392 3.577 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000133202346 260901564 /nfs/dbraw/zinc/90/15/64/260901564.db2.gz QEYVDUNSHYKBPB-UONOGXRCSA-N 0 3 281.403 3.616 20 30 CHEDHN Cc1cc(CN[C@H](C)COc2cccc(F)c2)ccc1C#N ZINC000443975958 260943483 /nfs/dbraw/zinc/94/34/83/260943483.db2.gz BPPZVTJYXGEBEX-CQSZACIVSA-N 0 3 298.361 3.563 20 30 CHEDHN C[C@@H]1COc2ccccc2CN1CCCCC(C)(C)C#N ZINC000444690975 261077712 /nfs/dbraw/zinc/07/77/12/261077712.db2.gz WIAHIILKINTTOD-OAHLLOKOSA-N 0 3 286.419 3.990 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)s1 ZINC000155071321 261098034 /nfs/dbraw/zinc/09/80/34/261098034.db2.gz QAJMKARXTMWPPF-CQSZACIVSA-N 0 3 268.385 3.609 20 30 CHEDHN C[C@H](CCc1ccc(O)cc1)NCc1ccc(C#N)cc1F ZINC000162496983 261284066 /nfs/dbraw/zinc/28/40/66/261284066.db2.gz WXOZDLFUCUGWNV-CYBMUJFWSA-N 0 3 298.361 3.514 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H](C3CC3)C2)cc1 ZINC000491279442 261398172 /nfs/dbraw/zinc/39/81/72/261398172.db2.gz RGCZGECBIULXCU-HNNXBMFYSA-N 0 3 293.332 3.789 20 30 CHEDHN C[C@@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)o1 ZINC000185085590 262040085 /nfs/dbraw/zinc/04/00/85/262040085.db2.gz LHVNIZDOLVDOAW-FZKQIMNGSA-N 0 3 280.371 3.955 20 30 CHEDHN C=CC[C@@H](C)NCc1nc2ccccc2n1CCC ZINC000119310150 262158591 /nfs/dbraw/zinc/15/85/91/262158591.db2.gz JDJGKERVKNQBHE-CYBMUJFWSA-N 0 3 257.381 3.501 20 30 CHEDHN C=CCC[C@@H](NCCN1CCCCCC1)c1ccco1 ZINC000514086866 262172538 /nfs/dbraw/zinc/17/25/38/262172538.db2.gz DIKLWZZGRROTHF-MRXNPFEDSA-N 0 3 276.424 3.753 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000192626586 262206807 /nfs/dbraw/zinc/20/68/07/262206807.db2.gz BXDBHWLMWUFMSS-CHWSQXEVSA-N 0 3 298.308 3.757 20 30 CHEDHN CN(CCSCCCCC#N)Cc1ccccc1 ZINC000193625306 262225324 /nfs/dbraw/zinc/22/53/24/262225324.db2.gz ITZMLMBTLBAENH-UHFFFAOYSA-N 0 3 262.422 3.545 20 30 CHEDHN C=CC1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000111259050 262258670 /nfs/dbraw/zinc/25/86/70/262258670.db2.gz NMTKPPTTXIVKBE-UHFFFAOYSA-N 0 3 270.351 3.772 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054182495 262260090 /nfs/dbraw/zinc/26/00/90/262260090.db2.gz RBBKCJAFGYHEAJ-TZMCWYRMSA-N 0 3 296.361 3.891 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2cc(Br)cs2)C1 ZINC000185783903 262308674 /nfs/dbraw/zinc/30/86/74/262308674.db2.gz JZHIOKGYHIYQKK-ONGXEEELSA-N 0 3 299.237 3.683 20 30 CHEDHN C=C(C)CCNCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000497044850 262363728 /nfs/dbraw/zinc/36/37/28/262363728.db2.gz IUKBXXWBJBXWQM-UHFFFAOYSA-N 0 3 297.424 3.546 20 30 CHEDHN N#CCOc1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000061360056 262395025 /nfs/dbraw/zinc/39/50/25/262395025.db2.gz GDJCTKGLMYIOMO-INIZCTEOSA-N 0 3 298.411 3.818 20 30 CHEDHN C=CCCOCCN[C@H]1C[C@@H](C)Sc2sccc21 ZINC000336788164 262395170 /nfs/dbraw/zinc/39/51/70/262395170.db2.gz OIONLBSQKNPCCB-YPMHNXCESA-N 0 3 283.462 3.856 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1ncc(Br)cc1F ZINC000187345497 262399538 /nfs/dbraw/zinc/39/95/38/262399538.db2.gz VYNGVCGHLPJEFC-IUCAKERBSA-N 0 3 287.176 3.598 20 30 CHEDHN CC(C#N)C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000337632107 262463912 /nfs/dbraw/zinc/46/39/12/262463912.db2.gz WETWJFWWLQHGAP-CZUORRHYSA-N 0 3 270.376 3.584 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000271952261 263000621 /nfs/dbraw/zinc/00/06/21/263000621.db2.gz BHWFTTZJDSEIJT-ZDUSSCGKSA-N 0 3 290.432 3.725 20 30 CHEDHN CCOc1cccc([C@H](C)NCCC(C)(C)C#N)c1 ZINC000271987958 263000781 /nfs/dbraw/zinc/00/07/81/263000781.db2.gz DDCAGIOBNDUDGL-ZDUSSCGKSA-N 0 3 260.381 3.676 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000271989053 263000928 /nfs/dbraw/zinc/00/09/28/263000928.db2.gz DGCMOGZIXFBWKG-UONOGXRCSA-N 0 3 292.448 3.576 20 30 CHEDHN C[C@H](c1ccc(OC(F)F)cc1)N1CCC(C)(C#N)CC1 ZINC000272633337 263007827 /nfs/dbraw/zinc/00/78/27/263007827.db2.gz WPKWSDUULYNOHF-GFCCVEGCSA-N 0 3 294.345 3.975 20 30 CHEDHN CCCCCOc1cc(CNCCCC#N)ccc1OC ZINC000273059462 263011932 /nfs/dbraw/zinc/01/19/32/263011932.db2.gz MDINPDBJUGYCRE-UHFFFAOYSA-N 0 3 290.407 3.658 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(SCC(F)F)cc1 ZINC000273167473 263013507 /nfs/dbraw/zinc/01/35/07/263013507.db2.gz BARBZPWENBFOHE-LLVKDONJSA-N 0 3 284.375 3.998 20 30 CHEDHN C=C(Cl)COc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000273263757 263014675 /nfs/dbraw/zinc/01/46/75/263014675.db2.gz NHOCJXIIDCREOA-CYBMUJFWSA-N 0 3 278.783 3.772 20 30 CHEDHN C=C(Cl)COc1ccc([C@H](C)NCCCC#N)cc1 ZINC000273263761 263014692 /nfs/dbraw/zinc/01/46/92/263014692.db2.gz NHOCJXIIDCREOA-ZDUSSCGKSA-N 0 3 278.783 3.772 20 30 CHEDHN CCOc1ccc([C@H](CC)NCCCC#N)cc1OCC ZINC000273300270 263014895 /nfs/dbraw/zinc/01/48/95/263014895.db2.gz UTMPMOASCVPVDR-HNNXBMFYSA-N 0 3 290.407 3.828 20 30 CHEDHN Cc1cc([C@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)ccc1F ZINC000274594058 263027153 /nfs/dbraw/zinc/02/71/53/263027153.db2.gz FXIAYCNWFNNVQH-XGWLTEMNSA-N 0 3 272.367 3.867 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC(F)F)c1 ZINC000274604214 263027361 /nfs/dbraw/zinc/02/73/61/263027361.db2.gz IPMYRTQTAADYRU-GMXVVIOVSA-N 0 3 280.318 3.631 20 30 CHEDHN COc1ccc2c(c1)[C@H](NCCCC#N)CCCS2 ZINC000275740603 263034128 /nfs/dbraw/zinc/03/41/28/263034128.db2.gz QIRZGGWMVJEQKK-CQSZACIVSA-N 0 3 276.405 3.516 20 30 CHEDHN Cc1cnc(C2CCN(CCC(C)(C)C#N)CC2)s1 ZINC000277429355 263041318 /nfs/dbraw/zinc/04/13/18/263041318.db2.gz MWJWMNIQXCIDBP-UHFFFAOYSA-N 0 3 277.437 3.571 20 30 CHEDHN CC(C)(C#N)CCCCN(Cc1ccncc1)C1CC1 ZINC000277660247 263042976 /nfs/dbraw/zinc/04/29/76/263042976.db2.gz IYZBUXGHIVANIO-UHFFFAOYSA-N 0 3 271.408 3.766 20 30 CHEDHN CN(Cc1ccccc1C(F)(F)F)[C@H]1CC[C@@H](C#N)C1 ZINC000278564449 263048788 /nfs/dbraw/zinc/04/87/88/263048788.db2.gz ISHQVBDDOXBNSH-YPMHNXCESA-N 0 3 282.309 3.829 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281182171 263066988 /nfs/dbraw/zinc/06/69/88/263066988.db2.gz HTXPGDQFRLSYHY-XHSDSOJGSA-N 0 3 271.408 3.698 20 30 CHEDHN C=CCOc1cccc(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000340105182 263071050 /nfs/dbraw/zinc/07/10/50/263071050.db2.gz OPKBFCKBYHPPGQ-LJQANCHMSA-N 0 3 294.398 3.887 20 30 CHEDHN CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1[O-] ZINC000282157786 263074688 /nfs/dbraw/zinc/07/46/88/263074688.db2.gz DDQHYGFZYSOFGV-ZBCRRDGASA-N 0 3 272.392 3.763 20 30 CHEDHN C[C@@H](NCC1CCC(C#N)CC1)c1ccc(F)cc1F ZINC000282437194 263076758 /nfs/dbraw/zinc/07/67/58/263076758.db2.gz NJLPZPKTUCNBBS-PNESKVBLSA-N 0 3 278.346 3.945 20 30 CHEDHN COc1ccc([C@H](C)NCCC(C)(C)C#N)c(C)c1OC ZINC000286945441 263100348 /nfs/dbraw/zinc/10/03/48/263100348.db2.gz MDYICDAHAWGGPW-ZDUSSCGKSA-N 0 3 290.407 3.603 20 30 CHEDHN CN(Cc1cc2ccccc2o1)[C@H]1CC[C@@H](C#N)C1 ZINC000292833117 263135479 /nfs/dbraw/zinc/13/54/79/263135479.db2.gz OYMAZXUAMMXXFR-OCCSQVGLSA-N 0 3 254.333 3.557 20 30 CHEDHN C[C@@H](Cc1ccc(O)cc1)N[C@H](CCC#N)c1ccccc1 ZINC000293660712 263146376 /nfs/dbraw/zinc/14/63/76/263146376.db2.gz PNQWQRLJAUQYDZ-HNAYVOBHSA-N 0 3 294.398 3.958 20 30 CHEDHN C[C@H](Cc1ccc(O)cc1)N[C@@H](CCC#N)c1ccccc1 ZINC000293660708 263146561 /nfs/dbraw/zinc/14/65/61/263146561.db2.gz PNQWQRLJAUQYDZ-BEFAXECRSA-N 0 3 294.398 3.958 20 30 CHEDHN Cc1cccc(C2=CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000293681955 263146615 /nfs/dbraw/zinc/14/66/15/263146615.db2.gz BBMRVZQDXBYWSG-CRAIPNDOSA-N 0 3 266.388 3.776 20 30 CHEDHN C=C(CNCc1cccc(OC)c1OC)c1ccccc1 ZINC000340436988 263147177 /nfs/dbraw/zinc/14/71/77/263147177.db2.gz KFRATAKXNOTLAE-UHFFFAOYSA-N 0 3 283.371 3.507 20 30 CHEDHN CC(C)Oc1cccc(CN(C)[C@H]2CC[C@H](C#N)C2)c1 ZINC000293728813 263148001 /nfs/dbraw/zinc/14/80/01/263148001.db2.gz GKYOONTUSCVQES-HOCLYGCPSA-N 0 3 272.392 3.598 20 30 CHEDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c([O-])c1 ZINC000296618418 263194379 /nfs/dbraw/zinc/19/43/79/263194379.db2.gz WRPCZSJUOXFJAI-KKUMJFAQSA-N 0 3 272.392 3.742 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccccc1SCC ZINC000453335546 263240449 /nfs/dbraw/zinc/24/04/49/263240449.db2.gz AHNREVQPZKUTRB-UONOGXRCSA-N 0 3 279.449 3.776 20 30 CHEDHN CCCN(CCCC#N)[C@H](C)c1ccccc1OC ZINC000299405959 263241968 /nfs/dbraw/zinc/24/19/68/263241968.db2.gz NIJRYDZYFDTFKL-CQSZACIVSA-N 0 3 260.381 3.772 20 30 CHEDHN C=CC[C@H](CO)CN[C@@H](CC)c1cc(Cl)ccc1OC ZINC000341878279 263361937 /nfs/dbraw/zinc/36/19/37/263361937.db2.gz MUZHVGXCHBIPPM-WFASDCNBSA-N 0 3 297.826 3.574 20 30 CHEDHN COCC1(C#N)CCN(Cc2cccc3ccccc32)CC1 ZINC000342027055 263380443 /nfs/dbraw/zinc/38/04/43/263380443.db2.gz XJTVSKCYSDOJGZ-UHFFFAOYSA-N 0 3 294.398 3.592 20 30 CHEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@H]1CC1(C)C ZINC000416278490 263684998 /nfs/dbraw/zinc/68/49/98/263684998.db2.gz RGVZIUCCPDENPS-ZACQAIPSSA-N 0 3 298.430 3.700 20 30 CHEDHN CC(C)Oc1ccc([C@H]2CCC[C@@H]2NCCC#N)cc1 ZINC000425967358 264238543 /nfs/dbraw/zinc/23/85/43/264238543.db2.gz NROGJILBEAVNCJ-SJORKVTESA-N 0 3 272.392 3.613 20 30 CHEDHN CN(Cc1cc(C#N)cs1)CC1(c2ccccc2)CC1 ZINC000188715969 264243133 /nfs/dbraw/zinc/24/31/33/264243133.db2.gz BBUWMFQTJWKBIH-UHFFFAOYSA-N 0 3 282.412 3.783 20 30 CHEDHN C=C(C)C(C)(C)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000424883424 264267178 /nfs/dbraw/zinc/26/71/78/264267178.db2.gz AWZGXLRYORYUQV-UHFFFAOYSA-N 0 3 274.408 3.597 20 30 CHEDHN C#CCOc1ccc([C@H](C)N[C@@H](CC)c2ccncc2)cc1 ZINC000163680320 264361658 /nfs/dbraw/zinc/36/16/58/264361658.db2.gz RVOARVSFMUEFKB-KXBFYZLASA-N 0 3 294.398 3.896 20 30 CHEDHN C#CCOc1ccc([C@@H](C)N[C@H](CC)c2ccncc2)cc1 ZINC000163680674 264361775 /nfs/dbraw/zinc/36/17/75/264361775.db2.gz RVOARVSFMUEFKB-DNVCBOLYSA-N 0 3 294.398 3.896 20 30 CHEDHN C=CCC[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccco1 ZINC000286045976 264574664 /nfs/dbraw/zinc/57/46/64/264574664.db2.gz KUGOCDWFUZIGHB-FMKPAKJESA-N 0 3 274.408 3.502 20 30 CHEDHN CCC[C@@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000345754189 265097007 /nfs/dbraw/zinc/09/70/07/265097007.db2.gz CVMSPLMCAIGICI-GXFFZTMASA-N 0 3 298.308 3.822 20 30 CHEDHN C=C(C)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000518840662 265166167 /nfs/dbraw/zinc/16/61/67/265166167.db2.gz DMJGUANJQHCKBX-UHFFFAOYSA-N 0 3 288.218 3.754 20 30 CHEDHN CC(C)CSCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353266115 266036995 /nfs/dbraw/zinc/03/69/95/266036995.db2.gz JCDPWCMWKMMOIE-MRXNPFEDSA-N 0 3 274.433 3.524 20 30 CHEDHN COc1ccc(CN2CC[C@@H](C)C3(CCC3)C2)cc1C#N ZINC000357006268 266230680 /nfs/dbraw/zinc/23/06/80/266230680.db2.gz BALOMDCJZMVOPG-CQSZACIVSA-N 0 3 284.403 3.579 20 30 CHEDHN C=CCSCCN[C@H](CC)c1cc(C)ccc1OC ZINC000358023763 266399652 /nfs/dbraw/zinc/39/96/52/266399652.db2.gz KTIMDAQLCOJICM-OAHLLOKOSA-N 0 3 279.449 3.964 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000369911979 267276313 /nfs/dbraw/zinc/27/63/13/267276313.db2.gz YXSZWLZSUJBPSM-HDMKZQKVSA-N 0 3 283.419 3.700 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000119271585 267314539 /nfs/dbraw/zinc/31/45/39/267314539.db2.gz FEPWLKLTZZCBHP-UHFFFAOYSA-N 0 3 280.371 3.676 20 30 CHEDHN C[C@]1(c2ccccc2)CC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418144732 267366048 /nfs/dbraw/zinc/36/60/48/267366048.db2.gz VBZKKDACLLCFLG-SJORKVTESA-N 0 3 268.404 3.780 20 30 CHEDHN N#CCC[C@H](N[C@H]1CCC12CCOCC2)c1ccccc1 ZINC000377121706 268049540 /nfs/dbraw/zinc/04/95/40/268049540.db2.gz XKPUHPSURSFXNA-IRXDYDNUSA-N 0 3 284.403 3.580 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCCOc3c(F)cccc32)C1 ZINC000185892211 327850145 /nfs/dbraw/zinc/85/01/45/327850145.db2.gz RCRSTSIKEGTWNP-XEZPLFJOSA-N 0 3 288.366 3.711 20 30 CHEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000411765192 328099342 /nfs/dbraw/zinc/09/93/42/328099342.db2.gz AIDROCDVKGQVDL-NXEZZACHSA-N 0 3 299.187 3.931 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncc(CC)s1 ZINC000414543072 328193406 /nfs/dbraw/zinc/19/34/06/328193406.db2.gz YRPWHGTYLRKIHQ-HNNXBMFYSA-N 0 3 286.444 3.983 20 30 CHEDHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000274206255 328209539 /nfs/dbraw/zinc/20/95/39/328209539.db2.gz MFXKUYZINIEHNX-RRFJBIMHSA-N 0 3 272.392 3.737 20 30 CHEDHN CC(C)Oc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000274222183 328209712 /nfs/dbraw/zinc/20/97/12/328209712.db2.gz QENWCLULMYRSHR-HOCLYGCPSA-N 0 3 272.392 3.646 20 30 CHEDHN Cc1cccc(NC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000278636590 328228943 /nfs/dbraw/zinc/22/89/43/328228943.db2.gz OQCGROQJVMKHDO-MAUKXSAKSA-N 0 3 283.419 3.564 20 30 CHEDHN CC(C)(C)c1cnc(CNCC2CCC(C#N)CC2)s1 ZINC000281707067 328241148 /nfs/dbraw/zinc/24/11/48/328241148.db2.gz OFCBJOXTNIBOMQ-UHFFFAOYSA-N 0 3 291.464 3.860 20 30 CHEDHN C=CCSCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000182129152 329240131 /nfs/dbraw/zinc/24/01/31/329240131.db2.gz ZNZOVNVMNYWUBJ-AWEZNQCLSA-N 0 3 281.396 3.548 20 30 CHEDHN N#Cc1csc(CNCc2ccc(C(F)F)cc2)c1 ZINC000185177057 329266961 /nfs/dbraw/zinc/26/69/61/329266961.db2.gz COVGPMRAWZEOLZ-UHFFFAOYSA-N 0 3 278.327 3.847 20 30 CHEDHN CC(C)[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000395876124 329301635 /nfs/dbraw/zinc/30/16/35/329301635.db2.gz ANMOTEHOUOKKNS-OAHLLOKOSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@@]1(c2ccccc2)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000532038650 328396872 /nfs/dbraw/zinc/39/68/72/328396872.db2.gz MVYLXVMKUKZSJD-LJQANCHMSA-N 0 3 294.373 3.861 20 30 CHEDHN C=CC[C@@H](C)NCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000281871625 328504462 /nfs/dbraw/zinc/50/44/62/328504462.db2.gz CSIXSFAIOOLGIY-SNVBAGLBSA-N 0 3 297.424 3.544 20 30 CHEDHN N#Cc1csc(CN[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000530640592 326883703 /nfs/dbraw/zinc/88/37/03/326883703.db2.gz XFQYTIUOLCHMPO-LSDHHAIUSA-N 0 3 260.406 3.678 20 30 CHEDHN C[C@@H](CCC#N)N1CCC(c2ccccc2F)CC1 ZINC000556811686 326967230 /nfs/dbraw/zinc/96/72/30/326967230.db2.gz LTJWVHPZVAEJFH-ZDUSSCGKSA-N 0 3 260.356 3.697 20 30 CHEDHN C=CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000506634877 332775746 /nfs/dbraw/zinc/77/57/46/332775746.db2.gz UJWQJJYXCIGPOJ-OAHLLOKOSA-N 0 3 292.382 3.974 20 30 CHEDHN C=C(C)CCN[C@H](C)c1ncc(Br)cc1F ZINC000453322406 331114025 /nfs/dbraw/zinc/11/40/25/331114025.db2.gz QUUZTSKTNGRVNP-SECBINFHSA-N 0 3 287.176 3.600 20 30 CHEDHN C=CCCC[C@H](C)N[C@H](C)c1cc(OC)ncc1F ZINC000558254375 327082532 /nfs/dbraw/zinc/08/25/32/327082532.db2.gz CALOVSFSYUWXCC-NWDGAFQWSA-N 0 3 266.360 3.625 20 30 CHEDHN C[C@@H](NCc1nc(C#N)cs1)[C@@H](C)C1CCCCC1 ZINC000558486144 327097654 /nfs/dbraw/zinc/09/76/54/327097654.db2.gz RRHIJZIDBHANCQ-VXGBXAGGSA-N 0 3 277.437 3.709 20 30 CHEDHN C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 ZINC000559073794 327140378 /nfs/dbraw/zinc/14/03/78/327140378.db2.gz IRFNXFFOUMYCRE-LBPRGKRZSA-N 0 3 296.336 3.920 20 30 CHEDHN C=CCOCCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000559144514 327143147 /nfs/dbraw/zinc/14/31/47/327143147.db2.gz JGNZWPHLEBAYAM-UHFFFAOYSA-N 0 3 277.795 3.632 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccs1 ZINC000348264842 327288412 /nfs/dbraw/zinc/28/84/12/327288412.db2.gz ZUUDOEGHWCZVCO-LBPRGKRZSA-N 0 3 256.374 3.665 20 30 CHEDHN C=CCC[C@@H](NC[C@H](CO)Cc1ccccc1)c1ccco1 ZINC000560527838 327319041 /nfs/dbraw/zinc/31/90/41/327319041.db2.gz FUVQYJMRSZUCAM-QZTJIDSGSA-N 0 3 299.414 3.728 20 30 CHEDHN N#Cc1csc(CN2CCC[C@H](c3ccccc3)C2)c1 ZINC000560541809 327321851 /nfs/dbraw/zinc/32/18/51/327321851.db2.gz IKIMJMICXRBUPX-INIZCTEOSA-N 0 3 282.412 3.999 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC000355095748 327376926 /nfs/dbraw/zinc/37/69/26/327376926.db2.gz BVDKZBOOEHHVCR-DOMZBBRYSA-N 0 3 260.768 3.586 20 30 CHEDHN C=CCCOCCN[C@@H](CC)c1ccc(F)cc1F ZINC000155622284 327395203 /nfs/dbraw/zinc/39/52/03/327395203.db2.gz YROMWCJJBMZCQM-HNNXBMFYSA-N 0 3 269.335 3.598 20 30 CHEDHN C=CCN1CCC(c2ccnc3ccccc32)CC1 ZINC000570056332 327566031 /nfs/dbraw/zinc/56/60/31/327566031.db2.gz DKNYLJFJRARGFT-UHFFFAOYSA-N 0 3 252.361 3.600 20 30 CHEDHN N#CCC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000580363567 328796269 /nfs/dbraw/zinc/79/62/69/328796269.db2.gz DTHQWVOUHLHHLC-UPHRSURJSA-N 0 3 276.330 3.604 20 30 CHEDHN CCN(C[C@H]1CCCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760520 329061810 /nfs/dbraw/zinc/06/18/10/329061810.db2.gz JDNMMSQBBVHWRL-WMLDXEAASA-N 0 3 272.392 3.510 20 30 CHEDHN C=CCSCCNc1cc(C)nc2ccccc21 ZINC000218871769 329084767 /nfs/dbraw/zinc/08/47/67/329084767.db2.gz KEMJTTDPDHPXBW-UHFFFAOYSA-N 0 3 258.390 3.874 20 30 CHEDHN CC1(C)CN(Cc2cc(C#N)ccc2F)[C@H]2CCC[C@@H]21 ZINC000393542602 329087374 /nfs/dbraw/zinc/08/73/74/329087374.db2.gz FNNCRSNPACNYDH-HOCLYGCPSA-N 0 3 272.367 3.708 20 30 CHEDHN CCC[C@H](C)[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1Cl ZINC000582551086 329106162 /nfs/dbraw/zinc/10/61/62/329106162.db2.gz LTWFLKCJLCPOOI-MQIPJXDCSA-N 0 3 294.826 3.659 20 30 CHEDHN CC1(C)CN(Cc2cccc(C#N)c2F)[C@@H]2CCC[C@H]21 ZINC000394462633 329116806 /nfs/dbraw/zinc/11/68/06/329116806.db2.gz WEPFBHMTCQNSOV-HUUCEWRRSA-N 0 3 272.367 3.708 20 30 CHEDHN CC1(C)CN(Cc2cccc(C#N)c2F)[C@H]2CCC[C@@H]21 ZINC000394462631 329116934 /nfs/dbraw/zinc/11/69/34/329116934.db2.gz WEPFBHMTCQNSOV-GJZGRUSLSA-N 0 3 272.367 3.708 20 30 CHEDHN C=CCCCCCN(C)Cc1sc(C)nc1C ZINC000172832561 329139251 /nfs/dbraw/zinc/13/92/51/329139251.db2.gz WVHAFGQNQHZNQK-UHFFFAOYSA-N 0 3 252.427 3.938 20 30 CHEDHN C=CCOc1ccccc1CNC[C@@H]1COc2ccccc21 ZINC000582749222 329142582 /nfs/dbraw/zinc/14/25/82/329142582.db2.gz RIGJPHTVCDVEEF-MRXNPFEDSA-N 0 3 295.382 3.517 20 30 CHEDHN CC[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000582757905 329146482 /nfs/dbraw/zinc/14/64/82/329146482.db2.gz XPKPWDXTZROKHQ-LLVKDONJSA-N 0 3 282.309 3.809 20 30 CHEDHN C=CCSCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000180459755 329217685 /nfs/dbraw/zinc/21/76/85/329217685.db2.gz ASVQASICHDJLLR-OAHLLOKOSA-N 0 3 289.444 3.942 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OCc2ccccn2)cc1 ZINC000181279768 329229258 /nfs/dbraw/zinc/22/92/58/329229258.db2.gz LRHVEYZZPPTYOP-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OCc2ccncc2)cc1 ZINC000181279742 329229291 /nfs/dbraw/zinc/22/92/91/329229291.db2.gz JQUQTEXKIIKHBW-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CCC(C)(C)O1 ZINC000184653221 329261864 /nfs/dbraw/zinc/26/18/64/329261864.db2.gz TYTVNEPDRHDWGK-KRWDZBQOSA-N 0 3 286.419 3.726 20 30 CHEDHN CCCC(=O)Nc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185781391 329331814 /nfs/dbraw/zinc/33/18/14/329331814.db2.gz MKNJVZWFNXXBJN-NVXWUHKLSA-N 0 3 299.418 3.597 20 30 CHEDHN CC(C)(NCCCCC#N)c1cccc(Cl)c1F ZINC000186892505 329351141 /nfs/dbraw/zinc/35/11/41/329351141.db2.gz APGVUGIHUNRJOK-UHFFFAOYSA-N 0 3 268.763 3.998 20 30 CHEDHN C[C@@H](CCc1ccc(OC(F)F)cc1)NCC1(C#N)CC1 ZINC000583299614 329442937 /nfs/dbraw/zinc/44/29/37/329442937.db2.gz JIQWNAOUIJSMQW-LBPRGKRZSA-N 0 3 294.345 3.502 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(F)c1 ZINC000399014744 329447526 /nfs/dbraw/zinc/44/75/26/329447526.db2.gz CTDOVHNVOAQPKQ-CYBMUJFWSA-N 0 3 268.335 3.743 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCc3ccccc32)cc1 ZINC000399100988 329448411 /nfs/dbraw/zinc/44/84/11/329448411.db2.gz GDQKETFKSSBLLK-SFHVURJKSA-N 0 3 262.356 3.530 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCOc3c(Cl)cccc32)C1 ZINC000248816537 329899696 /nfs/dbraw/zinc/89/96/96/329899696.db2.gz KZEBNSZANQZIGX-JMSVASOKSA-N 0 3 290.794 3.836 20 30 CHEDHN C#CC[C@@H](NCc1sccc1C)c1ccccc1 ZINC000270152275 330073477 /nfs/dbraw/zinc/07/34/77/330073477.db2.gz DEKGHOFNKONBSX-OAHLLOKOSA-N 0 3 255.386 3.911 20 30 CHEDHN C=CCOc1ccc(CN[C@H](C)c2cnccc2C)cc1 ZINC000271270321 330078191 /nfs/dbraw/zinc/07/81/91/330078191.db2.gz CGVZQVIRSHUOPL-OAHLLOKOSA-N 0 3 282.387 3.806 20 30 CHEDHN C#CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000271524842 330080828 /nfs/dbraw/zinc/08/08/28/330080828.db2.gz OXNWUKHRIDVWTP-WMLDXEAASA-N 0 3 293.366 3.831 20 30 CHEDHN Cc1ccsc1[C@@H](C)NCc1ccc(C#N)s1 ZINC000421896819 330104843 /nfs/dbraw/zinc/10/48/43/330104843.db2.gz ZTFAVKIZGMHAQB-SNVBAGLBSA-N 0 3 262.403 3.841 20 30 CHEDHN C=CCC[C@H](NCc1ccc2c(c1)CNC2)c1ccco1 ZINC000423387447 330199834 /nfs/dbraw/zinc/19/98/34/330199834.db2.gz MUYLNCPKYIJVAE-KRWDZBQOSA-N 0 3 282.387 3.680 20 30 CHEDHN C=C(C)COCCN[C@H]1CCc2ccc(Cl)cc21 ZINC000536854104 330251520 /nfs/dbraw/zinc/25/15/20/330251520.db2.gz UVKGFYPMAJSQBR-HNNXBMFYSA-N 0 3 265.784 3.510 20 30 CHEDHN CCc1cccc(F)c1CN1CCC(CC#N)CC1 ZINC000527526194 330257526 /nfs/dbraw/zinc/25/75/26/330257526.db2.gz FNKJKMJDZXDTHX-UHFFFAOYSA-N 0 3 260.356 3.514 20 30 CHEDHN N#Cc1ccc(CNCC[C@@H]2CC=CCC2)c(F)c1 ZINC000527791302 330283532 /nfs/dbraw/zinc/28/35/32/330283532.db2.gz SXLDGELZEFFHFQ-CYBMUJFWSA-N 0 3 258.340 3.533 20 30 CHEDHN CCCCOc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424198444 330326136 /nfs/dbraw/zinc/32/61/36/330326136.db2.gz PHHTZAKASWTKEF-GOEBONIOSA-N 0 3 272.392 3.647 20 30 CHEDHN CCc1ccc(CN(C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000533080007 330330862 /nfs/dbraw/zinc/33/08/62/330330862.db2.gz ULPOWIIMZYZCFW-UHFFFAOYSA-N 0 3 294.398 3.761 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000424317278 330339557 /nfs/dbraw/zinc/33/95/57/330339557.db2.gz BRIUSKCMOHFDRX-GMXVVIOVSA-N 0 3 298.308 3.928 20 30 CHEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(C)ccc1OC ZINC000424319137 330339932 /nfs/dbraw/zinc/33/99/32/330339932.db2.gz DYDYOFPAVNKPTP-SQWLQELKSA-N 0 3 272.392 3.737 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3c(Cl)cccc32)C1 ZINC000424332264 330342613 /nfs/dbraw/zinc/34/26/13/330342613.db2.gz SQPMBAGGKHETKL-OZVIIMIRSA-N 0 3 274.795 3.999 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C2CC2)c1 ZINC000424334989 330343208 /nfs/dbraw/zinc/34/32/08/330343208.db2.gz WAQOKMXEYYBBPB-IIYDPXPESA-N 0 3 254.377 3.907 20 30 CHEDHN N#CCC1(CN[C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424357149 330346517 /nfs/dbraw/zinc/34/65/17/330346517.db2.gz WCDYPKCGBVLXMF-OAHLLOKOSA-N 0 3 297.427 3.710 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000533301548 330356804 /nfs/dbraw/zinc/35/68/04/330356804.db2.gz WHLCHXAEPOGAQU-LBPRGKRZSA-N 0 3 280.799 3.565 20 30 CHEDHN C=CCCCN(C)Cc1cnc(-c2ccccc2)nc1 ZINC000533297872 330357222 /nfs/dbraw/zinc/35/72/22/330357222.db2.gz KAGPKVUYGPIOPV-UHFFFAOYSA-N 0 3 267.376 3.542 20 30 CHEDHN C=CCC[C@H](NCc1nc(C)c2ccccc2n1)C1CC1 ZINC000533359772 330359564 /nfs/dbraw/zinc/35/95/64/330359564.db2.gz AQRGNMIFDMYGLX-INIZCTEOSA-N 0 3 281.403 3.773 20 30 CHEDHN C=C(CC)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000536894286 330362472 /nfs/dbraw/zinc/36/24/72/330362472.db2.gz RJPQVXDSSLUPMA-UHFFFAOYSA-N 0 3 260.337 3.525 20 30 CHEDHN C=CCCC[C@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000536995302 330375305 /nfs/dbraw/zinc/37/53/05/330375305.db2.gz BMAUMZFJBIKRKA-ZDUSSCGKSA-N 0 3 274.364 3.698 20 30 CHEDHN C=C(C)CNCc1ccc(OC)c(OCCCC)c1 ZINC000119614770 330377489 /nfs/dbraw/zinc/37/74/89/330377489.db2.gz TXQPVTNFZQESDQ-UHFFFAOYSA-N 0 3 263.381 3.540 20 30 CHEDHN C=CC[C@@H](CO)CNCc1ccc(-c2ccc(C)cc2)o1 ZINC000537022257 330385398 /nfs/dbraw/zinc/38/53/98/330385398.db2.gz FDUBAUJLYHUISK-OAHLLOKOSA-N 0 3 285.387 3.529 20 30 CHEDHN C=CCCOCCNCc1ccc(-c2ccccc2)o1 ZINC000120872802 330391819 /nfs/dbraw/zinc/39/18/19/330391819.db2.gz FETJLSIGIRGNRR-UHFFFAOYSA-N 0 3 271.360 3.629 20 30 CHEDHN C=CCCC[C@H](C)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000537048660 330394814 /nfs/dbraw/zinc/39/48/14/330394814.db2.gz WBWQIBALIXSTQX-QWHCGFSZSA-N 0 3 279.346 3.775 20 30 CHEDHN C=CCN[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000537058119 330395403 /nfs/dbraw/zinc/39/54/03/330395403.db2.gz KRVYFQRPVHNJOD-QGZVFWFLSA-N 0 3 297.398 3.763 20 30 CHEDHN CC(C)(NCCOc1ccccc1C#N)c1cccc(F)c1 ZINC000537086618 330397661 /nfs/dbraw/zinc/39/76/61/330397661.db2.gz CWFNZENNKVDUKO-UHFFFAOYSA-N 0 3 298.361 3.601 20 30 CHEDHN CC[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)o1 ZINC000537303659 330431929 /nfs/dbraw/zinc/43/19/29/330431929.db2.gz HLZWNRMNBASWSS-AWEZNQCLSA-N 0 3 288.778 3.916 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426062040 330499670 /nfs/dbraw/zinc/49/96/70/330499670.db2.gz WHHGFJMASJVKEB-AWEZNQCLSA-N 0 3 273.376 3.985 20 30 CHEDHN Fc1ccc(C#CCN(C2CCC2)C2CCC2)cc1 ZINC000429188585 330539772 /nfs/dbraw/zinc/53/97/72/330539772.db2.gz ISCANEKSDVHZBP-UHFFFAOYSA-N 0 3 257.352 3.584 20 30 CHEDHN CC(C)COc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430048832 330558128 /nfs/dbraw/zinc/55/81/28/330558128.db2.gz XMPLUPJFEFVYFP-UHFFFAOYSA-N 0 3 272.392 3.505 20 30 CHEDHN Cc1ccc([C@@H](NCC2(CC#N)CC2)C2CCC2)o1 ZINC000430725044 330571531 /nfs/dbraw/zinc/57/15/31/330571531.db2.gz PRRSJWYNCULIFM-HNNXBMFYSA-N 0 3 258.365 3.713 20 30 CHEDHN Cc1nc(C(C)C)sc1[C@@H](C)NCC1(CC#N)CC1 ZINC000430749917 330572920 /nfs/dbraw/zinc/57/29/20/330572920.db2.gz MAYIEJYVDVEUKB-LLVKDONJSA-N 0 3 277.437 3.919 20 30 CHEDHN N#CCCCCNCc1ccc(F)c(Cl)c1Cl ZINC000432247734 330595960 /nfs/dbraw/zinc/59/59/60/330595960.db2.gz VFSACZQFPVWDGV-UHFFFAOYSA-N 0 3 275.154 3.916 20 30 CHEDHN COc1cncc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433017182 330612283 /nfs/dbraw/zinc/61/22/83/330612283.db2.gz BBUFUVMOJQJGJJ-GOSISDBHSA-N 0 3 295.386 3.615 20 30 CHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(Cl)ccc1F ZINC000435737101 330661326 /nfs/dbraw/zinc/66/13/26/330661326.db2.gz DMTKGMYEKZSGRS-XHDPSFHLSA-N 0 3 283.774 3.550 20 30 CHEDHN N#Cc1ccc(CNCCc2ccc3[nH]ccc3c2)c(F)c1 ZINC000441191872 330762614 /nfs/dbraw/zinc/76/26/14/330762614.db2.gz APSVFZLMVKGZFD-UHFFFAOYSA-N 0 3 293.345 3.511 20 30 CHEDHN C=C[C@@H](C)N[C@H]1CCc2cc(Br)ccc21 ZINC000157225416 330771505 /nfs/dbraw/zinc/77/15/05/330771505.db2.gz CKYXHZSHXXQENC-RNCFNFMXSA-N 0 3 266.182 3.601 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1cc(Br)ccc1F ZINC000157261514 330772232 /nfs/dbraw/zinc/77/22/32/330772232.db2.gz GQWVKFGSCLEOMN-BDAKNGLRSA-N 0 3 272.161 3.813 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCCOc2cccc3ccccc32)C1 ZINC000442787554 330783508 /nfs/dbraw/zinc/78/35/08/330783508.db2.gz WYOJNRBOBNESBT-ZBFHGGJFSA-N 0 3 280.371 3.500 20 30 CHEDHN CCOc1cc(Cl)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442819082 330785351 /nfs/dbraw/zinc/78/53/51/330785351.db2.gz POTVZRDAAJGPDR-SMDDNHRTSA-N 0 3 278.783 3.521 20 30 CHEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1cccc(O)c1 ZINC000158470656 330831859 /nfs/dbraw/zinc/83/18/59/330831859.db2.gz NRQAXLCZFXEACN-ZCGYKAAXSA-N 0 3 292.382 3.667 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000447527065 330867886 /nfs/dbraw/zinc/86/78/86/330867886.db2.gz DWEYXPGWCLJETJ-INWMFGNUSA-N 0 3 288.366 3.711 20 30 CHEDHN CC[C@@H](NC[C@H](C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000447602447 330873236 /nfs/dbraw/zinc/87/32/36/330873236.db2.gz ULZOEMNMHQVODO-GXFFZTMASA-N 0 3 270.298 3.797 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](CO)c1ccsc1 ZINC000449250216 330909716 /nfs/dbraw/zinc/90/97/16/330909716.db2.gz OMDRIKXTUSINPM-JSGCOSHPSA-N 0 3 253.411 3.506 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000449323343 330914573 /nfs/dbraw/zinc/91/45/73/330914573.db2.gz ULTXXOKUZQYXAI-UKRRQHHQSA-N 0 3 261.413 3.596 20 30 CHEDHN C=CCC1(C(=O)Nc2cccc(CN(C)C)c2)CCCC1 ZINC000449540563 330934819 /nfs/dbraw/zinc/93/48/19/330934819.db2.gz JKPUPNQHOHUZNN-UHFFFAOYSA-N 0 3 286.419 3.823 20 30 CHEDHN CC1(C)CCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000162766265 330956569 /nfs/dbraw/zinc/95/65/69/330956569.db2.gz OHJLQMPOTUHFEJ-AWEZNQCLSA-N 0 3 262.784 3.880 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000451608840 331036600 /nfs/dbraw/zinc/03/66/00/331036600.db2.gz CAUOYJNSSYXBNY-GLQYFDAESA-N 0 3 299.336 3.786 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(C)C)nc1CC ZINC000451680844 331038873 /nfs/dbraw/zinc/03/88/73/331038873.db2.gz KZAOPAXEHWEGBN-MSOLQXFVSA-N 0 3 288.435 3.591 20 30 CHEDHN CC[C@@H]1CCC[C@@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000453005530 331083273 /nfs/dbraw/zinc/08/32/73/331083273.db2.gz UYAFCMHHHBLUOV-KZNAEPCWSA-N 0 3 298.430 3.701 20 30 CHEDHN C[C@H](CCCc1cccnc1)NCc1ccc(C#N)cc1F ZINC000453104529 331089551 /nfs/dbraw/zinc/08/95/51/331089551.db2.gz UOKFRRNXSNUYCI-CQSZACIVSA-N 0 3 297.377 3.593 20 30 CHEDHN C=CCCNc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000453143837 331093738 /nfs/dbraw/zinc/09/37/38/331093738.db2.gz JNEKKRRVSYLXPO-UHFFFAOYSA-N 0 3 294.826 3.801 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCC1=CCCCC1)CC2 ZINC000453241897 331106184 /nfs/dbraw/zinc/10/61/84/331106184.db2.gz DTCUNUHZOKKKRD-QGZVFWFLSA-N 0 3 252.361 3.636 20 30 CHEDHN CO[C@@](C)(CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000453313098 331115164 /nfs/dbraw/zinc/11/51/64/331115164.db2.gz DHGMPGBNACCSSJ-KXBFYZLASA-N 0 3 294.398 3.771 20 30 CHEDHN C=CCC1(CN[C@@H](CC)c2ccn(C)n2)CCCC1 ZINC000453350081 331120550 /nfs/dbraw/zinc/12/05/50/331120550.db2.gz FZRIKLXOOLTEFQ-AWEZNQCLSA-N 0 3 261.413 3.597 20 30 CHEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(Cl)ccc1OCC ZINC000453352031 331120873 /nfs/dbraw/zinc/12/08/73/331120873.db2.gz KORUPTFSLYECIE-TZMCWYRMSA-N 0 3 297.826 3.716 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccccc1OC(F)F ZINC000453354314 331121274 /nfs/dbraw/zinc/12/12/74/331121274.db2.gz KVLLJICFDZGMOV-MCIONIFRSA-N 0 3 297.345 3.672 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cccc(Cl)c1 ZINC000453356655 331121647 /nfs/dbraw/zinc/12/16/47/331121647.db2.gz MBQCTYOZLYLANS-KFWWJZLASA-N 0 3 265.784 3.724 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(Cl)ccc1OCC ZINC000453357877 331122093 /nfs/dbraw/zinc/12/20/93/331122093.db2.gz MPARMYYDVOMGGE-GLQYFDAESA-N 0 3 295.810 3.733 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453363392 331122840 /nfs/dbraw/zinc/12/28/40/331122840.db2.gz OFSFSKGQCHDWPE-AWEZNQCLSA-N 0 3 269.392 3.704 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000453367804 331123612 /nfs/dbraw/zinc/12/36/12/331123612.db2.gz RUVJKNXWRHBGGJ-HONMWMINSA-N 0 3 285.309 3.700 20 30 CHEDHN C=C(CC)CN[C@H]1CCCc2nc(CC)sc21 ZINC000453368371 331123674 /nfs/dbraw/zinc/12/36/74/331123674.db2.gz QHHSPHKWRAPWDW-NSHDSACASA-N 0 3 250.411 3.639 20 30 CHEDHN C=CCC[C@@H](NCC(C)(C)C(C)(C)O)c1ccco1 ZINC000453373437 331124475 /nfs/dbraw/zinc/12/44/75/331124475.db2.gz SPKLPGVGGTUMBU-CYBMUJFWSA-N 0 3 265.397 3.674 20 30 CHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)COC2 ZINC000453394575 331127854 /nfs/dbraw/zinc/12/78/54/331127854.db2.gz WANAYJZCHOCODD-LBPRGKRZSA-N 0 3 296.345 3.578 20 30 CHEDHN C=CCOc1ccc(CNC[C@H]2CC[C@H](C)O2)cc1Cl ZINC000453632154 331137279 /nfs/dbraw/zinc/13/72/79/331137279.db2.gz OSSALBXSLPFHEG-GXTWGEPZSA-N 0 3 295.810 3.562 20 30 CHEDHN CC(C#N)C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000456858770 331207766 /nfs/dbraw/zinc/20/77/66/331207766.db2.gz DUXVANNTJCUGHM-ZLDLUXBVSA-N 0 3 290.794 3.642 20 30 CHEDHN CCC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CCC1 ZINC000458300616 331247702 /nfs/dbraw/zinc/24/77/02/331247702.db2.gz CFHCAAKZMZFNEW-ZWKOTPCHSA-N 0 3 298.430 3.844 20 30 CHEDHN CC[C@H]1CCCC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459407416 331280279 /nfs/dbraw/zinc/28/02/79/331280279.db2.gz MBIBDSUTGDQBNG-SWLSCSKDSA-N 0 3 287.363 3.525 20 30 CHEDHN C[C@@H](CCCc1cccnc1)NCc1cccc(F)c1C#N ZINC000459644137 331291922 /nfs/dbraw/zinc/29/19/22/331291922.db2.gz VWSOLVQTHRMLNY-AWEZNQCLSA-N 0 3 297.377 3.593 20 30 CHEDHN COc1ccc(C)cc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000459668408 331293204 /nfs/dbraw/zinc/29/32/04/331293204.db2.gz PZOQRTCXKSYOSZ-OAHLLOKOSA-N 0 3 294.398 3.921 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc2ccccc2c1 ZINC000459703297 331295153 /nfs/dbraw/zinc/29/51/53/331295153.db2.gz VWKZDXWFTBHXHN-UHFFFAOYSA-N 0 3 252.361 3.869 20 30 CHEDHN Cc1cc(CNCC(C)(C)CC#N)ccc1Cl ZINC000459726263 331296005 /nfs/dbraw/zinc/29/60/05/331296005.db2.gz DNXIEHMTTFSWEH-UHFFFAOYSA-N 0 3 250.773 3.678 20 30 CHEDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(C)(C)CC#N ZINC000459728863 331296306 /nfs/dbraw/zinc/29/63/06/331296306.db2.gz JLXAOGZPKXNNFX-LCYFTJDESA-N 0 3 287.363 3.528 20 30 CHEDHN CC(C)COc1ccccc1CNCC(C)(C)CC#N ZINC000459729664 331296366 /nfs/dbraw/zinc/29/63/66/331296366.db2.gz KQAGFQGGTHISKD-UHFFFAOYSA-N 0 3 274.408 3.751 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CSCCc2ccccc21 ZINC000459737782 331297057 /nfs/dbraw/zinc/29/70/57/331297057.db2.gz WQSDIFXXMZJJFE-HNNXBMFYSA-N 0 3 274.433 3.546 20 30 CHEDHN CCN(CCc1c(C)noc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000164942781 331305436 /nfs/dbraw/zinc/30/54/36/331305436.db2.gz ZSKZVYOVRKUJPO-CQSZACIVSA-N 0 3 297.402 3.789 20 30 CHEDHN C=C(C)COCCNC1c2ccccc2-c2ccccc21 ZINC000166253855 331306882 /nfs/dbraw/zinc/30/68/82/331306882.db2.gz GJUGLFWXNUERKV-UHFFFAOYSA-N 0 3 279.383 3.939 20 30 CHEDHN CN(CCC(C)(C)C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463439076 331347873 /nfs/dbraw/zinc/34/78/73/331347873.db2.gz YSJDEHXWVSSPRG-NEPJUHHUSA-N 0 3 276.346 3.979 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CCC1 ZINC000464822759 331369750 /nfs/dbraw/zinc/36/97/50/331369750.db2.gz NXTZMZOCGLSPAP-IAGOWNOFSA-N 0 3 254.377 3.558 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCOCc1ccccc1 ZINC000464846398 331370991 /nfs/dbraw/zinc/37/09/91/331370991.db2.gz AVYYGNLYQQASMQ-INIZCTEOSA-N 0 3 294.398 3.768 20 30 CHEDHN C=CC[C@@H](CC)NCc1ncc(C(C)(C)C)s1 ZINC000466405649 331395366 /nfs/dbraw/zinc/39/53/66/331395366.db2.gz PTUQITMALOZPQB-LLVKDONJSA-N 0 3 252.427 3.885 20 30 CHEDHN C=CCCCCN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000471620652 331513808 /nfs/dbraw/zinc/51/38/08/331513808.db2.gz QQPWCXYVJJFQFM-OAHLLOKOSA-N 0 3 298.434 3.891 20 30 CHEDHN C=CCC[C@@H](C)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000475087087 331614528 /nfs/dbraw/zinc/61/45/28/331614528.db2.gz JJALSEDWJYNVCV-MRXNPFEDSA-N 0 3 287.451 3.595 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc(OC(F)F)cc1 ZINC000489431755 332051982 /nfs/dbraw/zinc/05/19/82/332051982.db2.gz RWYFVOOZVHMKQY-ZDUSSCGKSA-N 0 3 267.319 3.829 20 30 CHEDHN C=C[C@H]1CCCCN1CCC(=O)c1ccc(C)cc1 ZINC000489460116 332053932 /nfs/dbraw/zinc/05/39/32/332053932.db2.gz GPEYUNHVLOLVPR-INIZCTEOSA-N 0 3 257.377 3.608 20 30 CHEDHN C=C(C)CN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490056174 332079091 /nfs/dbraw/zinc/07/90/91/332079091.db2.gz BCHDPFCAOFNTRW-CQSZACIVSA-N 0 3 253.773 3.535 20 30 CHEDHN C=CCN(CCOc1ccccc1F)CCc1ccco1 ZINC000491393253 332203193 /nfs/dbraw/zinc/20/31/93/332203193.db2.gz CMRRPQFMXUYPDL-UHFFFAOYSA-N 0 3 289.350 3.528 20 30 CHEDHN C#C[C@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000491819411 332369501 /nfs/dbraw/zinc/36/95/01/332369501.db2.gz NVIXWOJYHQJOOE-OJDYBEQGSA-N 0 3 277.795 3.560 20 30 CHEDHN C=C(CC)CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494462098 332474281 /nfs/dbraw/zinc/47/42/81/332474281.db2.gz ADWUHBBYNKKNGS-GJZGRUSLSA-N 0 3 283.774 3.865 20 30 CHEDHN C[C@@H](NCc1ccc(F)cc1C#N)C1CCCCC1 ZINC000553095182 334361040 /nfs/dbraw/zinc/36/10/40/334361040.db2.gz JQUSEAGTXNSQBE-GFCCVEGCSA-N 0 3 260.356 3.756 20 30 CHEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccccc1F ZINC000503558159 332692026 /nfs/dbraw/zinc/69/20/26/332692026.db2.gz OJJFUVIWFATHJP-CYBMUJFWSA-N 0 3 268.335 3.591 20 30 CHEDHN N#Cc1cccc(CNC/C=C\c2ccc(F)c(F)c2)c1 ZINC000512027239 332951102 /nfs/dbraw/zinc/95/11/02/332951102.db2.gz UJFCAZXQTPAHOH-DJWKRKHSSA-N 0 3 284.309 3.639 20 30 CHEDHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1F ZINC000512282034 332961179 /nfs/dbraw/zinc/96/11/79/332961179.db2.gz SMFAHWRQYCHJIC-ABAIWWIYSA-N 0 3 290.382 3.694 20 30 CHEDHN Cc1cccc(OCCN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512653613 332978098 /nfs/dbraw/zinc/97/80/98/332978098.db2.gz GAVUHGNYQWLMNQ-CQSZACIVSA-N 0 3 298.361 3.735 20 30 CHEDHN C=C[C@@H](C)N[C@@H]1CCc2sc(Br)cc21 ZINC000307639584 333015557 /nfs/dbraw/zinc/01/55/57/333015557.db2.gz FUVXBDUKAAAXFM-VXNVDRBHSA-N 0 3 272.211 3.662 20 30 CHEDHN CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC000176801529 333047637 /nfs/dbraw/zinc/04/76/37/333047637.db2.gz JRSAHURDUCPKCR-SFHVURJKSA-N 0 3 280.346 3.817 20 30 CHEDHN CC(C)CSCCCNC1(c2cccc(C#N)c2)CC1 ZINC000516857805 333084464 /nfs/dbraw/zinc/08/44/64/333084464.db2.gz IIKNUSUZFPJCJH-UHFFFAOYSA-N 0 3 288.460 3.916 20 30 CHEDHN CC[C@@H](CC#N)NCCCCCn1c(C)nc2ccccc21 ZINC000516876101 333085071 /nfs/dbraw/zinc/08/50/71/333085071.db2.gz NAHBDGXXTNITON-INIZCTEOSA-N 0 3 298.434 3.797 20 30 CHEDHN C=C(C)CN1CCC(NC(=O)C2(CC)CCCCC2)CC1 ZINC000184114704 333125106 /nfs/dbraw/zinc/12/51/06/333125106.db2.gz PLRGDNCSOCOYBA-UHFFFAOYSA-N 0 3 292.467 3.504 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCCOc2cccc3ccccc32)C1 ZINC000185787567 333148723 /nfs/dbraw/zinc/14/87/23/333148723.db2.gz XEIMBRQHFVQUKV-RDJZCZTQSA-N 0 3 294.398 3.891 20 30 CHEDHN CN(Cc1cccc(C#N)c1F)C1CCCCCC1 ZINC000219509266 333151392 /nfs/dbraw/zinc/15/13/92/333151392.db2.gz MATIMSAHTBPIKX-UHFFFAOYSA-N 0 3 260.356 3.852 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccnc(OC3CCCCC3)c2)C1 ZINC000521531464 333177154 /nfs/dbraw/zinc/17/71/54/333177154.db2.gz KAWVYBLUADGSHL-HOCLYGCPSA-N 0 3 299.418 3.575 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cc2c(s1)CCCC2 ZINC000222449866 333193711 /nfs/dbraw/zinc/19/37/11/333193711.db2.gz VYRMVENIGHBVMA-ZDUSSCGKSA-N 0 3 279.449 3.870 20 30 CHEDHN CC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000223625351 333210326 /nfs/dbraw/zinc/21/03/26/333210326.db2.gz CYEVFXVDOWWMAC-QGZVFWFLSA-N 0 3 268.335 3.938 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1cccs1 ZINC000192176769 333231838 /nfs/dbraw/zinc/23/18/38/333231838.db2.gz NCUOICFTAZPLOI-AWEZNQCLSA-N 0 3 274.364 4.000 20 30 CHEDHN C=CC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000522083119 333239225 /nfs/dbraw/zinc/23/92/25/333239225.db2.gz AJJIUUBCVSFFIQ-UHFFFAOYSA-N 0 3 268.360 3.740 20 30 CHEDHN C=CC[C@H](C)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000194102450 333265525 /nfs/dbraw/zinc/26/55/25/333265525.db2.gz MELCFFJZRXCMDE-FZMZJTMJSA-N 0 3 253.773 3.582 20 30 CHEDHN C=C(C)CNCc1ccc(Br)c(Cl)c1 ZINC000232455893 333337194 /nfs/dbraw/zinc/33/71/94/333337194.db2.gz OMZMZIJKAMNWFV-UHFFFAOYSA-N 0 3 274.589 3.768 20 30 CHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000174252090 335151334 /nfs/dbraw/zinc/15/13/34/335151334.db2.gz DVIABQPAQOAGDZ-ZIAGYGMSSA-N 0 3 298.361 3.815 20 30 CHEDHN CC(C)(CNCc1ccc(C#N)o1)c1cccc(Cl)c1 ZINC000174323485 335152729 /nfs/dbraw/zinc/15/27/29/335152729.db2.gz ZDKAWCQXJJINGR-UHFFFAOYSA-N 0 3 288.778 3.872 20 30 CHEDHN CCC[C@@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000174343412 335152976 /nfs/dbraw/zinc/15/29/76/335152976.db2.gz FVYXHFAQCWKMCA-HNNXBMFYSA-N 0 3 268.360 3.652 20 30 CHEDHN Cc1cccc(O[C@@H](C)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000540593667 333736681 /nfs/dbraw/zinc/73/66/81/333736681.db2.gz NBIXXCOCJHCUJM-JKSUJKDBSA-N 0 3 294.398 3.985 20 30 CHEDHN CCCCOc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000541920782 333800948 /nfs/dbraw/zinc/80/09/48/333800948.db2.gz UJFUOPBPSVZOAM-UHFFFAOYSA-N 0 3 286.419 3.991 20 30 CHEDHN CCOCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542014749 333806887 /nfs/dbraw/zinc/80/68/87/333806887.db2.gz XZEOTEYVLXKWKJ-OAHLLOKOSA-N 0 3 294.398 3.912 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000174983665 335170600 /nfs/dbraw/zinc/17/06/00/335170600.db2.gz FLAMCYHFTMJDKH-KDOFPFPSSA-N 0 3 262.356 3.751 20 30 CHEDHN C=CCCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000576366643 335195281 /nfs/dbraw/zinc/19/52/81/335195281.db2.gz DSPJZUWMZWEZQN-HNNXBMFYSA-N 0 3 261.413 3.977 20 30 CHEDHN COc1ccc(CN(C)[C@@H](C)c2ccccc2)cc1C#N ZINC000134960874 334109620 /nfs/dbraw/zinc/10/96/20/334109620.db2.gz QIPNKPQHBPDDPP-AWEZNQCLSA-N 0 3 280.371 3.760 20 30 CHEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](C)S1 ZINC000135256019 334122020 /nfs/dbraw/zinc/12/20/20/334122020.db2.gz QQJLMKRDCKNVCP-KBPBESRZSA-N 0 3 288.460 3.814 20 30 CHEDHN Cc1ccc(C[C@H](C)NCc2ccc(C#N)cc2F)s1 ZINC000080244675 334168299 /nfs/dbraw/zinc/16/82/99/334168299.db2.gz RWBPDDVKAZYSPJ-NSHDSACASA-N 0 3 288.391 3.788 20 30 CHEDHN C=CCOCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000549366958 334191427 /nfs/dbraw/zinc/19/14/27/334191427.db2.gz DHOWGFBJSPWPFK-GFCCVEGCSA-N 0 3 253.773 3.535 20 30 CHEDHN C=CCOCCN1CC[C@H](C)C[C@@H]1c1ccccc1OC ZINC000549717948 334202705 /nfs/dbraw/zinc/20/27/05/334202705.db2.gz LVHBBVRJLUNBKK-DOTOQJQBSA-N 0 3 289.419 3.671 20 30 CHEDHN C=CCOCCN(Cc1cccc(Cl)c1)C(C)C ZINC000549767624 334204372 /nfs/dbraw/zinc/20/43/72/334204372.db2.gz FEKJPDFFNQIDPZ-UHFFFAOYSA-N 0 3 267.800 3.753 20 30 CHEDHN COc1cc(C#N)ccc1CNC(C)(C)c1ccccc1C ZINC000549868335 334207756 /nfs/dbraw/zinc/20/77/56/334207756.db2.gz TYWVMOGFWIEGCE-UHFFFAOYSA-N 0 3 294.398 3.900 20 30 CHEDHN C=CCOCCN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000550097058 334212678 /nfs/dbraw/zinc/21/26/78/334212678.db2.gz PGTIGTDGRXHVAO-QGZVFWFLSA-N 0 3 295.373 3.751 20 30 CHEDHN C=CCC[C@@H](NCc1ccn(Cc2ccccc2)n1)C1CC1 ZINC000551813547 334262846 /nfs/dbraw/zinc/26/28/46/334262846.db2.gz VWXRVVZCWPVIAJ-LJQANCHMSA-N 0 3 295.430 3.766 20 30 CHEDHN CN(CC(C)(C)C#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000552316445 334316202 /nfs/dbraw/zinc/31/62/02/334316202.db2.gz AXHGGJXFADJRSC-FUHWJXTLSA-N 0 3 270.420 3.978 20 30 CHEDHN C[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)c1nccs1 ZINC000249280058 334331131 /nfs/dbraw/zinc/33/11/31/334331131.db2.gz NGKNKJAEMMRMRV-CHWSQXEVSA-N 0 3 285.416 3.811 20 30 CHEDHN CC[C@H](COC)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412184 334377968 /nfs/dbraw/zinc/37/79/68/334377968.db2.gz SQTMLBRDZSMAKI-GOSISDBHSA-N 0 3 294.398 3.740 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)[C@H]1CCCC[C@@H]1O ZINC000553826157 334399884 /nfs/dbraw/zinc/39/98/84/334399884.db2.gz XPRYOLPPHFUZEE-STQMWFEESA-N 0 3 285.840 3.693 20 30 CHEDHN N#CCCC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000567906209 334774162 /nfs/dbraw/zinc/77/41/62/334774162.db2.gz ORXMMIYHBAVCMJ-DUXPYHPUSA-N 0 3 290.357 3.994 20 30 CHEDHN N#CCc1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000576702969 335236980 /nfs/dbraw/zinc/23/69/80/335236980.db2.gz GERIZYYDGPXCER-SFHVURJKSA-N 0 3 295.361 3.528 20 30 CHEDHN C[C@@H](NC[C@H](C#N)CCC#N)C1(c2ccccc2)CCCC1 ZINC000580555408 335279598 /nfs/dbraw/zinc/27/95/98/335279598.db2.gz QYGDRIIWCPKOQT-SJORKVTESA-N 0 3 295.430 3.920 20 30 CHEDHN CC[C@@H](CNCc1ccc(C#N)cc1)Oc1ccccc1F ZINC000176990589 335352203 /nfs/dbraw/zinc/35/22/03/335352203.db2.gz DMENZTWXUXWJPG-INIZCTEOSA-N 0 3 298.361 3.645 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000578193260 335551729 /nfs/dbraw/zinc/55/17/29/335551729.db2.gz WAAXPJGPJPJKHM-NJAFHUGGSA-N 0 3 281.403 3.746 20 30 CHEDHN C=CCN[C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000180338777 335573505 /nfs/dbraw/zinc/57/35/05/335573505.db2.gz UDQTXLLUPOWNNK-ZDUSSCGKSA-N 0 3 263.381 3.711 20 30 CHEDHN CCC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000581313772 336046687 /nfs/dbraw/zinc/04/66/87/336046687.db2.gz RIMDVFODASJOTK-HNNXBMFYSA-N 0 3 289.379 3.771 20 30 CHEDHN C=CC(C)(C)CNCc1ccc(OC)c(OC)c1Cl ZINC000384881252 336133573 /nfs/dbraw/zinc/13/35/73/336133573.db2.gz URYOWAPCHMZCDO-UHFFFAOYSA-N 0 3 283.799 3.659 20 30 CHEDHN COC[C@@H](NCCC1(C#N)CCCCC1)c1ccccc1 ZINC000411459332 518082662 /nfs/dbraw/zinc/08/26/62/518082662.db2.gz RSDYNSLLBHAURK-QGZVFWFLSA-N 0 3 286.419 3.828 20 30 CHEDHN CCOc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1O ZINC000298374924 520726666 /nfs/dbraw/zinc/72/66/66/520726666.db2.gz AQWBTPZMANJVTF-ZDUSSCGKSA-N 0 3 296.370 3.513 20 30 CHEDHN CCOc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1O ZINC000298374918 520729666 /nfs/dbraw/zinc/72/96/66/520729666.db2.gz AQWBTPZMANJVTF-CYBMUJFWSA-N 0 3 296.370 3.513 20 30 CHEDHN Cc1ccc2nccc(N3CCC(C)(C#N)CC3)c2c1 ZINC000336017372 534520179 /nfs/dbraw/zinc/52/01/79/534520179.db2.gz UGLAMRPBAKECPT-UHFFFAOYSA-N 0 3 265.360 3.673 20 30 CHEDHN N#CCCCNCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000344359671 534613995 /nfs/dbraw/zinc/61/39/95/534613995.db2.gz PYYXSKDRKBQPEN-UHFFFAOYSA-N 0 3 297.185 3.663 20 30 CHEDHN CC[C@H](NCc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278351070 522649469 /nfs/dbraw/zinc/64/94/69/522649469.db2.gz ZCQOTHFLRKZSKJ-SFHVURJKSA-N 0 3 280.371 3.808 20 30 CHEDHN CC[C@@H](NCc1ccccc1COC)c1ccc(C#N)cc1 ZINC000278350963 522884811 /nfs/dbraw/zinc/88/48/11/522884811.db2.gz YZVLZYXIOTXAJK-LJQANCHMSA-N 0 3 294.398 3.946 20 30 CHEDHN Cc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353416552 534717801 /nfs/dbraw/zinc/71/78/01/534717801.db2.gz YKIMLQHXPXHQDX-SFHVURJKSA-N 0 3 262.356 3.644 20 30 CHEDHN C[C@H]1C[C@@H]1c1ccc(CNCCc2cccc(C#N)c2)o1 ZINC000341473469 524862689 /nfs/dbraw/zinc/86/26/89/524862689.db2.gz VRGVPXWKFKQULK-GUYCJALGSA-N 0 3 280.371 3.607 20 30 CHEDHN Cc1cc(O)c(CNC2(c3cccc(C#N)c3)CC2)cc1C ZINC000269618342 525320244 /nfs/dbraw/zinc/32/02/44/525320244.db2.gz PCFLUQNTJKNYCK-UHFFFAOYSA-N 0 3 292.382 3.660 20 30 CHEDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000036991900 525333752 /nfs/dbraw/zinc/33/37/52/525333752.db2.gz IUJIAHWLPOAMPE-KGLIPLIRSA-N 0 3 280.371 3.979 20 30 CHEDHN C[C@H](NC[C@@H](c1cccs1)N(C)C)c1cccc(C#N)c1 ZINC000037234631 525385023 /nfs/dbraw/zinc/38/50/23/525385023.db2.gz NIEKJWUCMVKVHT-BBRMVZONSA-N 0 3 299.443 3.573 20 30 CHEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccs1 ZINC000272197213 525392656 /nfs/dbraw/zinc/39/26/56/525392656.db2.gz INEUEPGFLCUOHU-GFCCVEGCSA-N 0 3 268.385 3.960 20 30 CHEDHN C[C@@H](N[C@H]1CCc2ccccc21)c1cccc(C#N)c1 ZINC000037230004 525692467 /nfs/dbraw/zinc/69/24/67/525692467.db2.gz UMFLNPBJRSVWOP-ACJLOTCBSA-N 0 3 262.356 3.896 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2cccc(C#N)c2)s1 ZINC000037748757 525734342 /nfs/dbraw/zinc/73/43/42/525734342.db2.gz LWZPCENIAYZSCE-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@@H](C)C1 ZINC000290011555 526043538 /nfs/dbraw/zinc/04/35/38/526043538.db2.gz ZSOQANIEBABSAL-NWDGAFQWSA-N 0 3 264.319 3.596 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1cccc(OC)c1 ZINC000352702055 526327487 /nfs/dbraw/zinc/32/74/87/526327487.db2.gz QLFBCSFEYQCARZ-UHFFFAOYSA-N 0 3 271.360 3.519 20 30 CHEDHN C=CCOCCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000347964863 526749878 /nfs/dbraw/zinc/74/98/78/526749878.db2.gz LMRBEPVDEQPJBA-YOEHRIQHSA-N 0 3 289.419 3.960 20 30 CHEDHN C=CCOc1ccc(CN2[C@@H](C)CC[C@@H]2C)cc1OC ZINC000354990252 526875625 /nfs/dbraw/zinc/87/56/25/526875625.db2.gz QTGIGVYRRHGTCS-KBPBESRZSA-N 0 3 275.392 3.633 20 30 CHEDHN C=CCC[C@@H](NCC1(COC)CCC1)c1ccco1 ZINC000353600569 527447043 /nfs/dbraw/zinc/44/70/43/527447043.db2.gz YMSOUDXRZQVOOX-CQSZACIVSA-N 0 3 263.381 3.693 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(C)n1 ZINC000347357432 528133218 /nfs/dbraw/zinc/13/32/18/528133218.db2.gz GKVXIXSYWNEHTD-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN CC(C)COc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000192728451 528174116 /nfs/dbraw/zinc/17/41/16/528174116.db2.gz IMBMXCQKGUUJBM-RDJZCZTQSA-N 0 3 286.419 3.893 20 30 CHEDHN CCC(CC)N(Cc1nc(C#N)cs1)CC(C)C ZINC000356143448 528781133 /nfs/dbraw/zinc/78/11/33/528781133.db2.gz YJPHNDXXTTUXEM-UHFFFAOYSA-N 0 3 265.426 3.661 20 30 CHEDHN CC1(C#N)CCC(NCc2c(F)cc(F)cc2F)CC1 ZINC000336217764 528831897 /nfs/dbraw/zinc/83/18/97/528831897.db2.gz OBGLRZLNIPGLGV-UHFFFAOYSA-N 0 3 282.309 3.666 20 30 CHEDHN C=CCCCCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000655807912 1118218813 /nfs/dbraw/zinc/21/88/13/1118218813.db2.gz WEHAZOZHALWAEY-AWEZNQCLSA-N 0 3 261.413 3.616 20 30 CHEDHN CCN(Cc1cccs1)Cc1ccc(C#N)cc1C ZINC000165454137 1118279496 /nfs/dbraw/zinc/27/94/96/1118279496.db2.gz ZQJCIQRLBCDDKG-UHFFFAOYSA-N 0 3 270.401 3.950 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cc2ccccc2o1 ZINC000090883783 1118778162 /nfs/dbraw/zinc/77/81/62/1118778162.db2.gz GPQDBSQTMXMLJB-CYBMUJFWSA-N 0 3 259.349 3.676 20 30 CHEDHN C=C(C)CN(C)Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000181051001 1118900668 /nfs/dbraw/zinc/90/06/68/1118900668.db2.gz FUJAPNURFMWRKI-UHFFFAOYSA-N 0 3 283.799 3.755 20 30 CHEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000541391446 1120320446 /nfs/dbraw/zinc/32/04/46/1120320446.db2.gz WZUWTLPHPCRBEL-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN Cc1ccccc1C(C)(C)NCc1csc(C#N)c1 ZINC000922147454 1120387583 /nfs/dbraw/zinc/38/75/83/1120387583.db2.gz XGBYBXNOLKQROT-UHFFFAOYSA-N 0 3 270.401 3.953 20 30 CHEDHN C#CC[C@H]1CCN(Cc2cc(Br)ccc2C)C1 ZINC001176070914 1121529185 /nfs/dbraw/zinc/52/91/85/1121529185.db2.gz TTYZSGLBJIPSRB-ZDUSSCGKSA-N 0 3 292.220 3.603 20 30 CHEDHN C=CCN(CC[C@H]1CCOC1)Cc1ccc(Cl)s1 ZINC000437584890 1122643295 /nfs/dbraw/zinc/64/32/95/1122643295.db2.gz UQVPOCSODWOCCX-LBPRGKRZSA-N 0 3 285.840 3.816 20 30 CHEDHN C=CCCCC[C@H](C)NCc1nc2c(s1)CCC2 ZINC000776254742 1123179330 /nfs/dbraw/zinc/17/93/30/1123179330.db2.gz LGQVOPSDLHAQOV-LBPRGKRZSA-N 0 3 264.438 3.856 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000852410026 1123404714 /nfs/dbraw/zinc/40/47/14/1123404714.db2.gz GFJORTLHOOOEJW-LBPRGKRZSA-N 0 3 250.773 3.523 20 30 CHEDHN C=CCCCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000310777093 1124899449 /nfs/dbraw/zinc/89/94/49/1124899449.db2.gz OBTYBIPONRJCBB-UHFFFAOYSA-N 0 3 251.345 3.757 20 30 CHEDHN C#C[C@H](N[C@@H]1CCCSCC1)c1ccc(Cl)cc1 ZINC000825949023 1125019832 /nfs/dbraw/zinc/01/98/32/1125019832.db2.gz OFRQBPLSPWISIY-CABCVRRESA-N 0 3 279.836 3.890 20 30 CHEDHN C=CC[C@H](C)N[C@@H](COCC(C)C)c1ccco1 ZINC000878408344 1125150791 /nfs/dbraw/zinc/15/07/91/1125150791.db2.gz RJTPOAIQNLFTGA-KBPBESRZSA-N 0 3 251.370 3.548 20 30 CHEDHN C=CCCCCN(C)Cc1cc(Br)c(C)cn1 ZINC001143668669 1131522655 /nfs/dbraw/zinc/52/26/55/1131522655.db2.gz ZLFXISPHBPJBGC-UHFFFAOYSA-N 0 3 297.240 3.941 20 30 CHEDHN C#CC1CCN([C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172859443 1132344072 /nfs/dbraw/zinc/34/40/72/1132344072.db2.gz AXLOMMJUWCQBPA-LBPRGKRZSA-N 0 3 279.786 3.755 20 30 CHEDHN C#CCCN(CCOC)[C@@H]1C[C@H](C)Sc2sccc21 ZINC001206779758 1133748581 /nfs/dbraw/zinc/74/85/81/1133748581.db2.gz JWUVLOLEANODOF-GXTWGEPZSA-N 0 3 295.473 3.645 20 30 CHEDHN C=CCCCCCCCCN(C)Cc1ccncn1 ZINC001209444954 1134022030 /nfs/dbraw/zinc/02/20/30/1134022030.db2.gz AQPDASQMBVYVSQ-UHFFFAOYSA-N 0 3 261.413 3.825 20 30 CHEDHN C#C[C@@H](N[C@H](C)[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1 ZINC001205980615 1125560403 /nfs/dbraw/zinc/56/04/03/1125560403.db2.gz QCTXEYKAAFLAHL-PWBULWKKSA-N 0 3 257.352 3.524 20 30 CHEDHN CC(=NNC1CCCCC1)c1c(C)cc(N)cc1C ZINC000884453488 1125564446 /nfs/dbraw/zinc/56/44/46/1125564446.db2.gz QHAONUKLVSLGRQ-UHFFFAOYSA-N 0 3 259.397 3.532 20 30 CHEDHN CCCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000536638508 1125567108 /nfs/dbraw/zinc/56/71/08/1125567108.db2.gz BWLPIGKMKLKABU-UHFFFAOYSA-N 0 3 294.398 3.979 20 30 CHEDHN CC(=O)c1ccc(Nc2ccc3nc(C)[nH]c3c2)c(C#N)c1 ZINC001213075421 1125646174 /nfs/dbraw/zinc/64/61/74/1125646174.db2.gz SFPAFXZJWCUDPB-UHFFFAOYSA-N 0 3 290.326 3.689 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2nc(-c3ccsc3)oc2C)C1 ZINC000886357193 1125672690 /nfs/dbraw/zinc/67/26/90/1125672690.db2.gz CJGKXLJTBHLDIV-CYBMUJFWSA-N 0 3 286.400 3.557 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000248898579 1125675985 /nfs/dbraw/zinc/67/59/85/1125675985.db2.gz UFENXRGTXUQQKT-IVMMDQJWSA-N 0 3 288.366 3.711 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccsc2)cc1 ZINC000282969613 1125730365 /nfs/dbraw/zinc/73/03/65/1125730365.db2.gz LEUBVJRAOAFBJU-ZDUSSCGKSA-N 0 3 271.385 3.611 20 30 CHEDHN C#CCN(Cc1ccc(F)cc1)CC(C)(C)CCC#N ZINC000092541699 1125759659 /nfs/dbraw/zinc/75/96/59/1125759659.db2.gz MXKOWSBNPIKMEM-UHFFFAOYSA-N 0 3 272.367 3.591 20 30 CHEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)o1 ZINC000093561712 1125771240 /nfs/dbraw/zinc/77/12/40/1125771240.db2.gz XTFRIKQHEAKUIF-OCCSQVGLSA-N 0 3 284.334 3.668 20 30 CHEDHN N#Cc1cccc(C2(NCc3ccc4cnccc4c3)CC2)c1 ZINC000618729084 1125788683 /nfs/dbraw/zinc/78/86/83/1125788683.db2.gz DTRZKZBJDPJOAQ-UHFFFAOYSA-N 0 3 299.377 3.885 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(C)c(F)c2)cc1 ZINC000237508829 1126759319 /nfs/dbraw/zinc/75/93/19/1126759319.db2.gz AEDWMFCQNOUKFZ-OAHLLOKOSA-N 0 3 297.373 3.997 20 30 CHEDHN CCCCCCCCCN1CCC[C@@]12CCOC2=O ZINC000792294194 1130443720 /nfs/dbraw/zinc/44/37/20/1130443720.db2.gz GYPQUFYSBQCXGQ-INIZCTEOSA-N 0 3 267.413 3.519 20 30 CHEDHN N#CC(C(=O)c1cccs1)c1ccc2ccccc2n1 ZINC000042654294 1126788823 /nfs/dbraw/zinc/78/88/23/1126788823.db2.gz RPWVTYSXARLFTQ-GFCCVEGCSA-N 0 3 278.336 3.786 20 30 CHEDHN COc1ccc(CCCN(C)CC#Cc2ccccc2)cc1 ZINC000483514829 1126790490 /nfs/dbraw/zinc/79/04/90/1126790490.db2.gz BWPHJHRKGQEMLP-UHFFFAOYSA-N 0 3 293.410 3.611 20 30 CHEDHN C#C[C@H](NCc1ccc(F)cc1C(F)(F)F)C(C)C ZINC000387630791 1126798367 /nfs/dbraw/zinc/79/83/67/1126798367.db2.gz ISJKXTJFLYGPCZ-ZDUSSCGKSA-N 0 3 273.273 3.592 20 30 CHEDHN C(#Cc1ccccc1)CNC1(c2ccccc2)CCC1 ZINC000483937223 1126805959 /nfs/dbraw/zinc/80/59/59/1126805959.db2.gz DURKKUQEIBOOOX-UHFFFAOYSA-N 0 3 261.368 3.707 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)NCC#Cc1ccccc1 ZINC000484006043 1126807542 /nfs/dbraw/zinc/80/75/42/1126807542.db2.gz CGVVGMODKVIRRD-AWEZNQCLSA-N 0 3 269.310 3.605 20 30 CHEDHN C=CCC[C@@H](CC)Oc1cccc2c1CCN(C)C2 ZINC001234422039 1130642308 /nfs/dbraw/zinc/64/23/08/1130642308.db2.gz GYWVSTCELDMWIA-OAHLLOKOSA-N 0 3 259.393 3.798 20 30 CHEDHN CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1F ZINC000181715856 1126859593 /nfs/dbraw/zinc/85/95/93/1126859593.db2.gz GCKYEFQHTFXQNQ-ZDUSSCGKSA-N 0 3 298.361 3.947 20 30 CHEDHN Cc1cc(C)c(/C=C/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000905083820 1126888862 /nfs/dbraw/zinc/88/88/62/1126888862.db2.gz FTAGJZQHIDWBMS-SIHTYFDNSA-N 0 3 293.370 3.600 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000185763066 1126903292 /nfs/dbraw/zinc/90/32/92/1126903292.db2.gz RLZJZTULXVIDPY-YPMHNXCESA-N 0 3 298.308 3.757 20 30 CHEDHN C=CCOc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000485309766 1126903622 /nfs/dbraw/zinc/90/36/22/1126903622.db2.gz SGXMCIVETRXFEK-UHFFFAOYSA-N 0 3 257.377 3.627 20 30 CHEDHN CCN(Cc1cncc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000189804096 1126935345 /nfs/dbraw/zinc/93/53/45/1126935345.db2.gz YFLYKDDVZMKORX-OAHLLOKOSA-N 0 3 279.387 3.845 20 30 CHEDHN C=CCCOc1ccccc1-c1cnc([C@@H]2CCCN2)nc1 ZINC000906177009 1126934281 /nfs/dbraw/zinc/93/42/81/1126934281.db2.gz LQIGWFWMCFOPDX-INIZCTEOSA-N 0 3 295.386 3.523 20 30 CHEDHN Cn1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1C#N ZINC000190950376 1126946056 /nfs/dbraw/zinc/94/60/56/1126946056.db2.gz YLEBAZYAZSMIPJ-GOSISDBHSA-N 0 3 297.377 3.667 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCCNc3ccccc32)c1 ZINC000192653513 1126963483 /nfs/dbraw/zinc/96/34/83/1126963483.db2.gz NVFURTJAEHTBII-SFHVURJKSA-N 0 3 277.371 3.595 20 30 CHEDHN CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)c(C)c1 ZINC000486685241 1126996074 /nfs/dbraw/zinc/99/60/74/1126996074.db2.gz PGKIYKBQMXHHLQ-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN C=CCCn1cc(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)nn1 ZINC000653766545 1127049337 /nfs/dbraw/zinc/04/93/37/1127049337.db2.gz IIQBTLLXAVSJBK-JKSUJKDBSA-N 0 3 290.455 3.501 20 30 CHEDHN Cc1cc(CN2CCC[C@H]2c2cccn2C)ccc1C#N ZINC000488197422 1127061922 /nfs/dbraw/zinc/06/19/22/1127061922.db2.gz GNPJWZJTHNQURE-SFHVURJKSA-N 0 3 279.387 3.542 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000924844891 1127096083 /nfs/dbraw/zinc/09/60/83/1127096083.db2.gz CAHVCQXXAGHBGR-PVAVHDDUSA-N 0 3 286.419 3.825 20 30 CHEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000912353786 1127096727 /nfs/dbraw/zinc/09/67/27/1127096727.db2.gz UQFKFYFEKBZIOZ-DOMZBBRYSA-N 0 3 294.826 3.543 20 30 CHEDHN C=C[C@H](COC)N[C@H](CC)c1ccc(OC(F)F)cc1 ZINC001320592983 1127109014 /nfs/dbraw/zinc/10/90/14/1127109014.db2.gz VPOPMVHFJKPBNB-TZMCWYRMSA-N 0 3 285.334 3.530 20 30 CHEDHN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C#N)c1 ZINC000151029621 1127118867 /nfs/dbraw/zinc/11/88/67/1127118867.db2.gz IBORBFRSAAWQBN-KZULUSFZSA-N 0 3 280.346 3.720 20 30 CHEDHN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C#N)c1 ZINC000151029674 1127119238 /nfs/dbraw/zinc/11/92/38/1127119238.db2.gz IBORBFRSAAWQBN-KPZWWZAWSA-N 0 3 280.346 3.720 20 30 CHEDHN C=C(C)C[N@@H+](CC)Cc1c([O-])cccc1OC(F)(F)F ZINC001237122673 1131055580 /nfs/dbraw/zinc/05/55/80/1131055580.db2.gz KBQLFICRYFUCKN-UHFFFAOYSA-N 0 3 289.297 3.689 20 30 CHEDHN C=C(C)C[N@H+](CC)Cc1c([O-])cccc1OC(F)(F)F ZINC001237122673 1131055587 /nfs/dbraw/zinc/05/55/87/1131055587.db2.gz KBQLFICRYFUCKN-UHFFFAOYSA-N 0 3 289.297 3.689 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000348892165 1127133909 /nfs/dbraw/zinc/13/39/09/1127133909.db2.gz HYVPYSLWBUWEEU-LJQANCHMSA-N 0 3 294.398 3.984 20 30 CHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000192986339 1127165949 /nfs/dbraw/zinc/16/59/49/1127165949.db2.gz GUKVZWQAJKRFBH-CHWSQXEVSA-N 0 3 294.354 3.699 20 30 CHEDHN C[C@@H](NCC1(C#N)CCCC1)[C@H](C)c1ccccc1 ZINC000589166734 1127213733 /nfs/dbraw/zinc/21/37/33/1127213733.db2.gz QGFWAMBZZUXZIZ-LSDHHAIUSA-N 0 3 256.393 3.852 20 30 CHEDHN CCCc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000589322768 1127218855 /nfs/dbraw/zinc/21/88/55/1127218855.db2.gz HANKIUUEHJWIJK-UHFFFAOYSA-N 0 3 294.398 3.809 20 30 CHEDHN Cc1n[nH]cc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000590257847 1127252705 /nfs/dbraw/zinc/25/27/05/1127252705.db2.gz KVNQRGHETDLQBM-GUYCJALGSA-N 0 3 282.391 3.804 20 30 CHEDHN C[C@@H](NCc1ccnc(C#N)c1)c1cccc(C2CC2)c1 ZINC000590745410 1127270767 /nfs/dbraw/zinc/27/07/67/1127270767.db2.gz FMLMBGSOAJQPQS-CYBMUJFWSA-N 0 3 277.371 3.681 20 30 CHEDHN Cc1cccc(CC2CN(Cc3ccc(C#N)cc3)C2)c1 ZINC000590967203 1127279916 /nfs/dbraw/zinc/27/99/16/1127279916.db2.gz JGHUKFVURDTNNF-UHFFFAOYSA-N 0 3 276.383 3.541 20 30 CHEDHN CC[C@@H](NCc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930190808 1127298804 /nfs/dbraw/zinc/29/88/04/1127298804.db2.gz XVUKXYZKIBLZGA-MRXNPFEDSA-N 0 3 285.778 3.848 20 30 CHEDHN CC[C@H](NCc1nc(C#N)cs1)C(C)(C)c1ccccc1 ZINC000573369925 1127306996 /nfs/dbraw/zinc/30/69/96/1127306996.db2.gz QFFGYOYXTLIXMU-HNNXBMFYSA-N 0 3 299.443 3.861 20 30 CHEDHN CC[C@@H](NCc1ccncc1C#N)C(C)(C)c1ccccc1 ZINC000592097732 1127325827 /nfs/dbraw/zinc/32/58/27/1127325827.db2.gz JTSPVBMTWPPEDR-GOSISDBHSA-N 0 3 293.414 3.799 20 30 CHEDHN N#Cc1ccc(OCCN2CCC[C@@H]2c2ccsc2)cc1 ZINC000046089226 1127330260 /nfs/dbraw/zinc/33/02/60/1127330260.db2.gz JRGXCLCREIPTQN-QGZVFWFLSA-N 0 3 298.411 3.836 20 30 CHEDHN C=CCCCNCc1csc(-c2ccccc2)n1 ZINC000573910042 1127331570 /nfs/dbraw/zinc/33/15/70/1127331570.db2.gz MJUNXUNKQAVUFG-UHFFFAOYSA-N 0 3 258.390 3.866 20 30 CHEDHN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2ccncc2C#N)C1 ZINC000592069298 1127335039 /nfs/dbraw/zinc/33/50/39/1127335039.db2.gz OJVSNYKFTNOPAD-RDJZCZTQSA-N 0 3 291.398 3.640 20 30 CHEDHN CC1(C)CCC[C@@H]1[C@H]1CCN(C[C@@H](C#N)CCC#N)C1 ZINC000592154710 1127338195 /nfs/dbraw/zinc/33/81/95/1127338195.db2.gz TUMGTNTZTJVIMF-OWCLPIDISA-N 0 3 273.424 3.578 20 30 CHEDHN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2ccncc2C#N)C1 ZINC000592153358 1127340020 /nfs/dbraw/zinc/34/00/20/1127340020.db2.gz AZTJQTDKRJSDSR-NVXWUHKLSA-N 0 3 283.419 3.601 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)c(C)n1 ZINC000592391422 1127347395 /nfs/dbraw/zinc/34/73/95/1127347395.db2.gz GUSRJTJIHADDBM-CQSZACIVSA-N 0 3 279.387 3.615 20 30 CHEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1CCC(C)(C)C1 ZINC000355577048 1127350807 /nfs/dbraw/zinc/35/08/07/1127350807.db2.gz CUYNJHOBRAGCRI-CQSZACIVSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H](CCC#N)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000593067076 1127367976 /nfs/dbraw/zinc/36/79/76/1127367976.db2.gz RTKMVGIVSLJWAB-QWHCGFSZSA-N 0 3 276.811 3.994 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CC2(F)F)CC1 ZINC000593076474 1127374753 /nfs/dbraw/zinc/37/47/53/1127374753.db2.gz JNZBAYYOOMWWCP-GFCCVEGCSA-N 0 3 276.330 3.740 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000138893988 1127410978 /nfs/dbraw/zinc/41/09/78/1127410978.db2.gz OZJBLIBYWRTTMY-SFHVURJKSA-N 0 3 278.355 3.601 20 30 CHEDHN Cc1cc(C)c(CNCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594955083 1127439984 /nfs/dbraw/zinc/43/99/84/1127439984.db2.gz JMBDGAXSPKQLSI-UHFFFAOYSA-N 0 3 291.398 3.543 20 30 CHEDHN C=CCCSCCNCc1ccc(F)c(F)c1F ZINC000594967230 1127441454 /nfs/dbraw/zinc/44/14/54/1127441454.db2.gz INJRWZYDIBZJBE-UHFFFAOYSA-N 0 3 275.339 3.503 20 30 CHEDHN C=CCCSCCN[C@H](C)c1cc(C)c(C)o1 ZINC000595057274 1127446895 /nfs/dbraw/zinc/44/68/95/1127446895.db2.gz BZOMPOAWJKXJAS-GFCCVEGCSA-N 0 3 253.411 3.856 20 30 CHEDHN C=CCCSCCN[C@H](C)c1ccc(OC)cc1F ZINC000595059806 1127447504 /nfs/dbraw/zinc/44/75/04/1127447504.db2.gz PECPDSKPEJJGAS-GFCCVEGCSA-N 0 3 283.412 3.794 20 30 CHEDHN C[C@H](Cc1cccs1)NCC1(C#N)CCCCC1 ZINC000595091302 1127453945 /nfs/dbraw/zinc/45/39/45/1127453945.db2.gz PGNBPMIQUXKACJ-CYBMUJFWSA-N 0 3 262.422 3.743 20 30 CHEDHN C[C@@H](Cc1ccsc1)NCC1(C#N)CCCCC1 ZINC000595092095 1127454631 /nfs/dbraw/zinc/45/46/31/1127454631.db2.gz WHKKLYMCVWXLKK-ZDUSSCGKSA-N 0 3 262.422 3.743 20 30 CHEDHN C[C@H](CCc1ccco1)NCC1(C#N)CCCCC1 ZINC000595092155 1127454939 /nfs/dbraw/zinc/45/49/39/1127454939.db2.gz XYLQLPFBYPNXDE-CQSZACIVSA-N 0 3 260.381 3.664 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595335745 1127458847 /nfs/dbraw/zinc/45/88/47/1127458847.db2.gz VKIWJIGXCMBCLJ-RSRPTUBKSA-N 0 3 280.415 3.804 20 30 CHEDHN N#Cc1ccc(CCN2CCC(CC(F)(F)F)CC2)cc1 ZINC000595477078 1127464398 /nfs/dbraw/zinc/46/43/98/1127464398.db2.gz QFJFRTQHUOBGSW-UHFFFAOYSA-N 0 3 296.336 3.765 20 30 CHEDHN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)CCCCC#N ZINC000595519202 1127464721 /nfs/dbraw/zinc/46/47/21/1127464721.db2.gz VRAVLYZHAWHZNY-NSHDSACASA-N 0 3 290.798 3.903 20 30 CHEDHN C=CCCC[C@@H](C)N(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000359515761 1127465841 /nfs/dbraw/zinc/46/58/41/1127465841.db2.gz OFDCMVNNNOBHSB-GFCCVEGCSA-N 0 3 279.380 3.551 20 30 CHEDHN CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595616732 1127468072 /nfs/dbraw/zinc/46/80/72/1127468072.db2.gz WQBPIWGVBWVYED-BBRMVZONSA-N 0 3 260.356 3.902 20 30 CHEDHN CC(C)O[C@@H](CN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595622816 1127468695 /nfs/dbraw/zinc/46/86/95/1127468695.db2.gz DOSMCFAMIOCMTB-AEFFLSMTSA-N 0 3 286.419 3.778 20 30 CHEDHN CO[C@@H](CN1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000595622887 1127469012 /nfs/dbraw/zinc/46/90/12/1127469012.db2.gz FJIZICUHSOVFNK-CJNGLKHVSA-N 0 3 292.810 3.653 20 30 CHEDHN COCC1(NCc2ccc(C#N)cc2Cl)CCCCC1 ZINC000595910965 1127479998 /nfs/dbraw/zinc/47/99/98/1127479998.db2.gz VAGQNEIMFFCOKH-UHFFFAOYSA-N 0 3 292.810 3.651 20 30 CHEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)Cc1cccc(O)c1 ZINC000596986548 1127523530 /nfs/dbraw/zinc/52/35/30/1127523530.db2.gz VSXIQAPIUVVORN-UHFFFAOYSA-N 0 3 292.382 3.579 20 30 CHEDHN CCCOc1ccc(CN2CCC(C)(C#N)CC2)c(C)c1 ZINC000597085141 1127528227 /nfs/dbraw/zinc/52/82/27/1127528227.db2.gz RXKAQMQKCAIFHW-UHFFFAOYSA-N 0 3 286.419 3.910 20 30 CHEDHN CCC[C@H](CN1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597232009 1127535516 /nfs/dbraw/zinc/53/55/16/1127535516.db2.gz QSVDSBVLSMLQFI-IAGOWNOFSA-N 0 3 256.393 3.806 20 30 CHEDHN CC[C@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCC1 ZINC000597153973 1127530681 /nfs/dbraw/zinc/53/06/81/1127530681.db2.gz MINQQDSKSXOFTM-OAHLLOKOSA-N 0 3 276.811 3.945 20 30 CHEDHN C=CCC[C@H](C)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361188506 1127545999 /nfs/dbraw/zinc/54/59/99/1127545999.db2.gz SSNYCOPOVLUHRJ-GWCFXTLKSA-N 0 3 267.319 3.733 20 30 CHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)s1 ZINC000602508122 1127588682 /nfs/dbraw/zinc/58/86/82/1127588682.db2.gz SJFZWKIGZZVYTO-NSHDSACASA-N 0 3 298.839 3.590 20 30 CHEDHN Cc1ccccc1[C@@H](NCc1cccc(C#N)n1)C(C)C ZINC000602561430 1127593059 /nfs/dbraw/zinc/59/30/59/1127593059.db2.gz FLYVQCPZTGVGOP-SFHVURJKSA-N 0 3 279.387 3.749 20 30 CHEDHN C=CCCCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602707031 1127607140 /nfs/dbraw/zinc/60/71/40/1127607140.db2.gz SJJSRLBFBRZBLK-UHFFFAOYSA-N 0 3 289.335 3.572 20 30 CHEDHN N#CCC1(CN2CCC(c3ccsc3)CC2)CC1 ZINC000602816386 1127617062 /nfs/dbraw/zinc/61/70/62/1127617062.db2.gz IPBUZDFNDMKOEV-UHFFFAOYSA-N 0 3 260.406 3.621 20 30 CHEDHN N#CCC1(CN2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000602843090 1127617768 /nfs/dbraw/zinc/61/77/68/1127617768.db2.gz BJOMIEXNEKUTED-QGZVFWFLSA-N 0 3 296.414 3.534 20 30 CHEDHN N#CCC1(CN2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000602773495 1127612930 /nfs/dbraw/zinc/61/29/30/1127612930.db2.gz VBQVLSMIVSBHNB-UHFFFAOYSA-N 0 3 290.357 3.838 20 30 CHEDHN Cc1cccc(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000170673457 1127635125 /nfs/dbraw/zinc/63/51/25/1127635125.db2.gz GLKXYKDOCUWRTD-AWEZNQCLSA-N 0 3 290.322 3.555 20 30 CHEDHN C=C(C)[C@@H](NCCc1cscn1)c1ccc(F)c(F)c1 ZINC000295708839 1127651343 /nfs/dbraw/zinc/65/13/43/1127651343.db2.gz KARQQUGACFVZSE-OAHLLOKOSA-N 0 3 294.370 3.871 20 30 CHEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)[C@H]1CCCCO1 ZINC000599043173 1127651989 /nfs/dbraw/zinc/65/19/89/1127651989.db2.gz VVEMKURTVSLYIM-USXIJHARSA-N 0 3 272.392 3.579 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(F)cc1C(F)(F)F ZINC000599046209 1127652752 /nfs/dbraw/zinc/65/27/52/1127652752.db2.gz VVDYOUABYLXEST-SECBINFHSA-N 0 3 274.261 3.799 20 30 CHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(C2CC2)c1 ZINC000296082168 1127662736 /nfs/dbraw/zinc/66/27/36/1127662736.db2.gz QPCDIJMSYIDLAB-ZDUSSCGKSA-N 0 3 279.387 3.625 20 30 CHEDHN CCc1cnccc1[C@H](C)NCc1ccc(C)c(C#N)c1 ZINC000599362110 1127669831 /nfs/dbraw/zinc/66/98/31/1127669831.db2.gz MZSBOUCAQZAHPJ-AWEZNQCLSA-N 0 3 279.387 3.675 20 30 CHEDHN Cc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1C#N ZINC000599439654 1127671317 /nfs/dbraw/zinc/67/13/17/1127671317.db2.gz APVFMBHEKFUUQK-OAHLLOKOSA-N 0 3 289.382 3.931 20 30 CHEDHN Cc1cc(C#N)ccc1CN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599515316 1127676638 /nfs/dbraw/zinc/67/66/38/1127676638.db2.gz RJKAUMHUVYACLM-STQMWFEESA-N 0 3 278.346 3.590 20 30 CHEDHN C/C=C\C[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000599692797 1127687096 /nfs/dbraw/zinc/68/70/96/1127687096.db2.gz XRALEJJHXAYSMU-ZRMMWKCHSA-N 0 3 260.406 3.798 20 30 CHEDHN C#CC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000297031665 1127687905 /nfs/dbraw/zinc/68/79/05/1127687905.db2.gz UUYNECAZRLWJOG-IAGOWNOFSA-N 0 3 277.367 3.734 20 30 CHEDHN C#C[C@H](CC)NCc1ccc(Cl)c(Br)c1 ZINC000229892136 1127713760 /nfs/dbraw/zinc/71/37/60/1127713760.db2.gz DCHGPSNABLFYSA-SNVBAGLBSA-N 0 3 286.600 3.604 20 30 CHEDHN C#CCOc1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000172111449 1127746707 /nfs/dbraw/zinc/74/67/07/1127746707.db2.gz GTUARTCDBOYPHE-UHFFFAOYSA-N 0 3 285.774 3.642 20 30 CHEDHN CC(C)(C#N)CCCCN1CCN(c2cccs2)CC1 ZINC000409446531 1127768121 /nfs/dbraw/zinc/76/81/21/1127768121.db2.gz YSWHJHYPEMEHSI-UHFFFAOYSA-N 0 3 291.464 3.590 20 30 CHEDHN COC(C)(C)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000409446865 1127768762 /nfs/dbraw/zinc/76/87/62/1127768762.db2.gz RHCFJPWYQOWJST-IRXDYDNUSA-N 0 3 286.419 3.573 20 30 CHEDHN CC[C@H](C)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000409445846 1127769985 /nfs/dbraw/zinc/76/99/85/1127769985.db2.gz CAECVTFUBCFEIP-BHYGNILZSA-N 0 3 256.393 3.804 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](OC2CCC2)C1 ZINC000594026133 1127770185 /nfs/dbraw/zinc/77/01/85/1127770185.db2.gz DHRRWUWPHSJEOM-RDTXWAMCSA-N 0 3 284.403 3.653 20 30 CHEDHN C=CCCCCCN(C)Cc1ccnc(Cl)c1 ZINC000172654974 1127777643 /nfs/dbraw/zinc/77/76/43/1127777643.db2.gz UGQRAYUEAPWYRZ-UHFFFAOYSA-N 0 3 252.789 3.913 20 30 CHEDHN CC#CCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000607726145 1127825323 /nfs/dbraw/zinc/82/53/23/1127825323.db2.gz LOOPIUKRVBLFDR-IBGZPJMESA-N 0 3 261.368 3.657 20 30 CHEDHN Cc1cnc(CCN(C)CCC2(C#N)CCCCC2)s1 ZINC000411407582 1127858623 /nfs/dbraw/zinc/85/86/23/1127858623.db2.gz LVSJQTUIAHCRSG-UHFFFAOYSA-N 0 3 291.464 3.790 20 30 CHEDHN C=CCN(Cc1cnc2ccc(C)cc2c1)C1CC1 ZINC000411443729 1127859287 /nfs/dbraw/zinc/85/92/87/1127859287.db2.gz LXBAGIPXJGWZRG-UHFFFAOYSA-N 0 3 252.361 3.694 20 30 CHEDHN C[C@H](CN(C)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000608976588 1127896873 /nfs/dbraw/zinc/89/68/73/1127896873.db2.gz AJANMGNLCUQCGM-CQSZACIVSA-N 0 3 282.362 3.933 20 30 CHEDHN C=CCC[C@H](C)NCc1ccsc1Br ZINC000308657681 1127919999 /nfs/dbraw/zinc/91/99/99/1127919999.db2.gz OTQLGPMBIRXKRS-VIFPVBQESA-N 0 3 274.227 3.955 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@H]2C)cc1Cl ZINC000539831184 1127945675 /nfs/dbraw/zinc/94/56/75/1127945675.db2.gz WVHBBZIFPBBPJH-GFCCVEGCSA-N 0 3 265.784 3.889 20 30 CHEDHN C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@@H]2CCCC[C@H]21 ZINC000543908691 1127952166 /nfs/dbraw/zinc/95/21/66/1127952166.db2.gz LYEIMMCKAIGCOX-OAUYIBNBSA-N 0 3 272.367 3.708 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@H]2CCCC[C@H]12 ZINC000543907481 1127952690 /nfs/dbraw/zinc/95/26/90/1127952690.db2.gz QKPUNAQQQMBSRZ-JLZZUVOBSA-N 0 3 272.367 3.708 20 30 CHEDHN C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC(C)(C)C1 ZINC000544118367 1127958976 /nfs/dbraw/zinc/95/89/76/1127958976.db2.gz VNYBKOYCDRJIFQ-GFCCVEGCSA-N 0 3 260.356 3.565 20 30 CHEDHN C=CCCC[C@@H](C)N1CCN(c2ncc(CC)s2)CC1 ZINC000540349520 1127975891 /nfs/dbraw/zinc/97/58/91/1127975891.db2.gz WQNDRQJEBDKREM-CQSZACIVSA-N 0 3 293.480 3.572 20 30 CHEDHN C[C@@H](CCc1ccccc1)CN(CCC#N)CC1CC1 ZINC000540497086 1127981155 /nfs/dbraw/zinc/98/11/55/1127981155.db2.gz ISRDWMUVUXPUDW-INIZCTEOSA-N 0 3 270.420 3.881 20 30 CHEDHN Cc1ccc(C#N)cc1OCCN(C)Cc1ccc(F)cc1 ZINC000468404031 1128006426 /nfs/dbraw/zinc/00/64/26/1128006426.db2.gz AOTLLJSQSBPXQB-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000468474438 1128009540 /nfs/dbraw/zinc/00/95/40/1128009540.db2.gz FWSCJLCLBQZSIO-BRWVUGGUSA-N 0 3 256.393 3.913 20 30 CHEDHN C[C@H](N[C@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000271868242 1128071622 /nfs/dbraw/zinc/07/16/22/1128071622.db2.gz MANAIIMAIPUNEW-HNAYVOBHSA-N 0 3 294.398 3.723 20 30 CHEDHN CN(Cc1ccc(CF)cc1)Cc1cccc(C#N)c1 ZINC000777539958 1128118027 /nfs/dbraw/zinc/11/80/27/1128118027.db2.gz LZUFLSHTOFMUIB-UHFFFAOYSA-N 0 3 268.335 3.660 20 30 CHEDHN C#CCCCN[C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925161601 1128124417 /nfs/dbraw/zinc/12/44/17/1128124417.db2.gz KZKDPJXHYWYXAI-VIFPVBQESA-N 0 3 290.716 3.818 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000926511386 1128176885 /nfs/dbraw/zinc/17/68/85/1128176885.db2.gz WNVLAYWXCQJVIP-GZBFAFLISA-N 0 3 272.392 3.817 20 30 CHEDHN C=CCCSCCN[C@@H]1CCc2c1nccc2Cl ZINC000926686034 1128187960 /nfs/dbraw/zinc/18/79/60/1128187960.db2.gz RBJPJRGVGHQXPD-CYBMUJFWSA-N 0 3 282.840 3.621 20 30 CHEDHN C[C@@H](NCc1ccc(CF)cc1)c1ccc(C#N)cc1 ZINC000777725342 1128254760 /nfs/dbraw/zinc/25/47/60/1128254760.db2.gz RWVQOMWQKWVDGN-CYBMUJFWSA-N 0 3 268.335 3.879 20 30 CHEDHN CCCN(Cc1ccc(C)cc1)Cc1cncc(C#N)c1 ZINC000929144572 1128261035 /nfs/dbraw/zinc/26/10/35/1128261035.db2.gz KHEZINHMTFXJNL-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1C#N ZINC000926963340 1128206863 /nfs/dbraw/zinc/20/68/63/1128206863.db2.gz DMIYMOJTQOKJOU-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)COC3)cc1C#N ZINC000926963761 1128206895 /nfs/dbraw/zinc/20/68/95/1128206895.db2.gz FMMYDJOSMHUXLF-CQSZACIVSA-N 0 3 292.382 3.748 20 30 CHEDHN C=CC1CCN(Cc2ccc(OCC)c(F)c2)CC1 ZINC000494982375 1128219472 /nfs/dbraw/zinc/21/94/72/1128219472.db2.gz XIONWMKUCFQDRZ-UHFFFAOYSA-N 0 3 263.356 3.622 20 30 CHEDHN C[C@@H]1CN(CC2CCC(C#N)CC2)C[C@@H](c2ccccc2)O1 ZINC000929345158 1128271140 /nfs/dbraw/zinc/27/11/40/1128271140.db2.gz ZASNOHAAYWZSFH-JIZBTBOESA-N 0 3 298.430 3.778 20 30 CHEDHN C[C@H]1CN(CC2CCC(C#N)CC2)C[C@H](c2ccccc2)O1 ZINC000929345156 1128271352 /nfs/dbraw/zinc/27/13/52/1128271352.db2.gz ZASNOHAAYWZSFH-BOMAWHNGSA-N 0 3 298.430 3.778 20 30 CHEDHN CC[C@@H](c1ccccc1)N(CC)Cc1cncc(C#N)c1 ZINC000929385139 1128272737 /nfs/dbraw/zinc/27/27/37/1128272737.db2.gz MWTGCNQVSJZBEG-SFHVURJKSA-N 0 3 279.387 3.926 20 30 CHEDHN C[C@@]1(c2ccccc2)CN(CC2CCC(C#N)CC2)CCO1 ZINC000929831137 1128289672 /nfs/dbraw/zinc/28/96/72/1128289672.db2.gz CXJJRGQLMFCQNY-TVPLGVNVSA-N 0 3 298.430 3.564 20 30 CHEDHN C[C@H]1CN(CC2CCC(C#N)CC2)[C@H](c2ccccc2)CO1 ZINC000929760008 1128284839 /nfs/dbraw/zinc/28/48/39/1128284839.db2.gz NBUXRYJJGNKTQB-LOTPSLMQSA-N 0 3 298.430 3.778 20 30 CHEDHN C#CCSCCNCc1ccc(F)c(Cl)c1Cl ZINC000762448022 1128300573 /nfs/dbraw/zinc/30/05/73/1128300573.db2.gz GZHAUTNVDOIKGG-UHFFFAOYSA-N 0 3 292.206 3.589 20 30 CHEDHN CC(C)N(Cc1cncc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000930537679 1128324597 /nfs/dbraw/zinc/32/45/97/1128324597.db2.gz DFRUOMAVXHXBSC-HNNXBMFYSA-N 0 3 279.387 3.925 20 30 CHEDHN CCCCC/C(C=Nn1cnnc1)=C/c1ccccc1 ZINC000916242403 1128412962 /nfs/dbraw/zinc/41/29/62/1128412962.db2.gz OURDIHCGMCYDEL-LYGMZCMYSA-N 0 3 268.364 3.776 20 30 CHEDHN COc1cccc(CNC(C)(C)c2cccc(C#N)c2)c1C ZINC000930931359 1128340982 /nfs/dbraw/zinc/34/09/82/1128340982.db2.gz VJKBFEKMMXSGMQ-UHFFFAOYSA-N 0 3 294.398 3.900 20 30 CHEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)CCC(C)(C)C ZINC001123338283 1128364800 /nfs/dbraw/zinc/36/48/00/1128364800.db2.gz ZQZWAUWQYZFZFT-STQMWFEESA-N 0 3 275.396 3.542 20 30 CHEDHN C#CC[C@@H](NCc1cc(F)ccc1C)c1ccccc1 ZINC000778105652 1128418016 /nfs/dbraw/zinc/41/80/16/1128418016.db2.gz FDKWTXZMFSVRLS-GOSISDBHSA-N 0 3 267.347 3.988 20 30 CHEDHN C[C@@H]1CN(CCOc2ccc(C#N)cc2)Cc2ccccc21 ZINC000916151268 1128410096 /nfs/dbraw/zinc/41/00/96/1128410096.db2.gz DICWBLOXKCWBTP-OAHLLOKOSA-N 0 3 292.382 3.556 20 30 CHEDHN CC1(C)C[C@H](c2ccccc2)CN1Cc1ccncc1C#N ZINC000932899570 1128426101 /nfs/dbraw/zinc/42/61/01/1128426101.db2.gz VMHOMCVGBQKUML-KRWDZBQOSA-N 0 3 291.398 3.721 20 30 CHEDHN C#CCC1(NCc2oc(-c3ccccc3)nc2C)CCC1 ZINC000933295921 1128433354 /nfs/dbraw/zinc/43/33/54/1128433354.db2.gz YTQLFWQIKYAPIC-UHFFFAOYSA-N 0 3 280.371 3.686 20 30 CHEDHN CC1(C)CN(CC(=O)Nc2cccc(C#N)c2)[C@H]2CCC[C@H]21 ZINC000328866112 1128434765 /nfs/dbraw/zinc/43/47/65/1128434765.db2.gz NSLLIKWLMCXSCP-CVEARBPZSA-N 0 3 297.402 3.657 20 30 CHEDHN Cc1nc(C)c(CN2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC000933610226 1128438904 /nfs/dbraw/zinc/43/89/04/1128438904.db2.gz FADALSMPGOXAEM-UHFFFAOYSA-N 0 3 295.386 3.543 20 30 CHEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000934649158 1128465438 /nfs/dbraw/zinc/46/54/38/1128465438.db2.gz LWQNTZAHAAZBKM-MRXNPFEDSA-N 0 3 288.435 3.919 20 30 CHEDHN C=CC[C@H](C)N[C@H](C)c1nc(Br)ccc1F ZINC000925433588 1128477857 /nfs/dbraw/zinc/47/78/57/1128477857.db2.gz ZFCLGHCQOYLOMY-DTWKUNHWSA-N 0 3 287.176 3.598 20 30 CHEDHN C=CC[C@@H](C)N[C@H](C)c1nc(Br)ccc1F ZINC000925433590 1128478057 /nfs/dbraw/zinc/47/80/57/1128478057.db2.gz ZFCLGHCQOYLOMY-RKDXNWHRSA-N 0 3 287.176 3.598 20 30 CHEDHN CCCCCCCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000935884751 1128505511 /nfs/dbraw/zinc/50/55/11/1128505511.db2.gz ZKMYILKYEPPDIL-KRWDZBQOSA-N 0 3 290.451 3.766 20 30 CHEDHN COc1cc([C@@H](C)NCc2ccc(C#N)cc2)ccc1F ZINC000154485517 1128515764 /nfs/dbraw/zinc/51/57/64/1128515764.db2.gz ZPKGGZQBCXVEJD-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN N#CCCN[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000565652701 1128529505 /nfs/dbraw/zinc/52/95/05/1128529505.db2.gz AAOQXOJTFWLLOH-UKRRQHHQSA-N 0 3 262.784 3.869 20 30 CHEDHN C=CCOCCN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000566384577 1128543698 /nfs/dbraw/zinc/54/36/98/1128543698.db2.gz ONMABBYYBNKBDU-UHFFFAOYSA-N 0 3 271.404 3.595 20 30 CHEDHN Cc1ccccc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000041544587 1128547423 /nfs/dbraw/zinc/54/74/23/1128547423.db2.gz LLXNOZKBEPTCIU-CQSZACIVSA-N 0 3 290.322 3.555 20 30 CHEDHN Cc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041543775 1128547741 /nfs/dbraw/zinc/54/77/41/1128547741.db2.gz NXQKIFYCBSYVBP-AWEZNQCLSA-N 0 3 290.322 3.555 20 30 CHEDHN CC[C@@H]1CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568810505 1128592337 /nfs/dbraw/zinc/59/23/37/1128592337.db2.gz QSOQUZNHYNWLIX-CYBMUJFWSA-N 0 3 282.309 3.951 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(Br)ccc1OC ZINC000071805264 1128598943 /nfs/dbraw/zinc/59/89/43/1128598943.db2.gz QZSURAYMBBULLG-UHFFFAOYSA-N 0 3 298.224 3.856 20 30 CHEDHN C[C@H](CCc1ccc(Cl)s1)NCC1(C#N)CC1 ZINC000574133411 1128662331 /nfs/dbraw/zinc/66/23/31/1128662331.db2.gz XAALREUJEJXGNE-SNVBAGLBSA-N 0 3 268.813 3.616 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000574118990 1128662408 /nfs/dbraw/zinc/66/24/08/1128662408.db2.gz JMNIRWOJZMCKNB-HNNXBMFYSA-N 0 3 274.408 3.528 20 30 CHEDHN Cc1ccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)cc1C#N ZINC000600790402 1128681623 /nfs/dbraw/zinc/68/16/23/1128681623.db2.gz AKCHQFKTCSMSAE-IFXJQAMLSA-N 0 3 292.382 3.583 20 30 CHEDHN CC(C)c1ccc([C@H]2CCCCN2C[C@H](O)CC#N)cc1 ZINC000930136380 1128687717 /nfs/dbraw/zinc/68/77/17/1128687717.db2.gz FWCRXXJNKMSMQV-QZTJIDSGSA-N 0 3 286.419 3.612 20 30 CHEDHN C[NH+](C)C1(C/N=C\c2cc(Cl)ccc2[O-])CCCCC1 ZINC000920944778 1128696310 /nfs/dbraw/zinc/69/63/10/1128696310.db2.gz KKZKBVNNPYEFRU-WQRHYEAKSA-N 0 3 294.826 3.729 20 30 CHEDHN C=CCOc1ccccc1CNC[C@H]1CC1(Cl)Cl ZINC000920956843 1128696931 /nfs/dbraw/zinc/69/69/31/1128696931.db2.gz WEFYRZDVDDKOSD-GFCCVEGCSA-N 0 3 286.202 3.535 20 30 CHEDHN C[C@@H](CNC[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000579763695 1117781549 /nfs/dbraw/zinc/78/15/49/1117781549.db2.gz GWUKWBZQFBKCLF-MNOVXSKESA-N 0 3 270.298 3.558 20 30 CHEDHN C[C@@H](C#N)CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000579763696 1117781771 /nfs/dbraw/zinc/78/17/71/1117781771.db2.gz GWUKWBZQFBKCLF-QWRGUYRKSA-N 0 3 270.298 3.558 20 30 CHEDHN C=C(CC)CN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000537993273 1117881382 /nfs/dbraw/zinc/88/13/82/1117881382.db2.gz ONIFOMSNFAUHDH-MRXNPFEDSA-N 0 3 275.392 3.807 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1cc(C)ccc1OC(F)F ZINC000119322819 1117885757 /nfs/dbraw/zinc/88/57/57/1117885757.db2.gz BGPULHUDDREFHY-GHMZBOCLSA-N 0 3 255.308 3.822 20 30 CHEDHN C[C@@H](CCc1cccc(F)c1)N(CCC#N)CC1CC1 ZINC000183261599 1118041365 /nfs/dbraw/zinc/04/13/65/1118041365.db2.gz BUHXISCFWMSVEJ-AWEZNQCLSA-N 0 3 274.383 3.772 20 30 CHEDHN COc1ccc(CN2CCC[C@H]2c2ccccc2)cc1C#N ZINC000340129047 1118076765 /nfs/dbraw/zinc/07/67/65/1118076765.db2.gz NMDWAEKMJJVRNL-SFHVURJKSA-N 0 3 292.382 3.904 20 30 CHEDHN COc1ccc(C#N)cc1CN[C@H](c1ccccc1)C1CC1 ZINC000179697920 1128754601 /nfs/dbraw/zinc/75/46/01/1128754601.db2.gz OUGYZQXKHRNYMP-LJQANCHMSA-N 0 3 292.382 3.808 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccnc(Cl)c1 ZINC000216510705 1128755802 /nfs/dbraw/zinc/75/58/02/1128755802.db2.gz VRTOBRAPDMEXPD-UHFFFAOYSA-N 0 3 286.806 3.966 20 30 CHEDHN N#CCCCOc1cccc(CNCc2ccc(F)cc2)c1 ZINC000237746548 1128757104 /nfs/dbraw/zinc/75/71/04/1128757104.db2.gz KIDJRZLPLYCFMA-UHFFFAOYSA-N 0 3 298.361 3.798 20 30 CHEDHN CC[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC000653877546 1118125480 /nfs/dbraw/zinc/12/54/80/1118125480.db2.gz OTDHDTYFGQHOQD-IAGOWNOFSA-N 0 3 291.822 3.629 20 30 CHEDHN Cc1ccc([C@H](C)NCc2csc(C#N)c2)s1 ZINC000921584083 1118203352 /nfs/dbraw/zinc/20/33/52/1118203352.db2.gz BKICFHOQAMWTNC-JTQLQIEISA-N 0 3 262.403 3.841 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000076734356 1118214805 /nfs/dbraw/zinc/21/48/05/1118214805.db2.gz CIQRCHCIFSMMSW-ZDUSSCGKSA-N 0 3 294.826 3.873 20 30 CHEDHN N#Cc1cc(CN2CCCC3(CCCCC3)CC2)ccn1 ZINC000615807015 1128763420 /nfs/dbraw/zinc/76/34/20/1128763420.db2.gz PZPRPJHTKJNQKS-UHFFFAOYSA-N 0 3 283.419 3.890 20 30 CHEDHN COc1cccc(CN(C)Cc2ccc(C#N)cc2C)c1 ZINC000165450369 1118278437 /nfs/dbraw/zinc/27/84/37/1118278437.db2.gz HVPWWDQTBDUGGF-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C[C@H](C#N)OCCN(Cc1ccccc1)Cc1ccccc1 ZINC000307495057 1118303482 /nfs/dbraw/zinc/30/34/82/1118303482.db2.gz IENSUSHYRJVRNV-QGZVFWFLSA-N 0 3 294.398 3.617 20 30 CHEDHN C[C@H](CCC#N)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000616014525 1128773237 /nfs/dbraw/zinc/77/32/37/1128773237.db2.gz QGBDROJVLIWRIG-LLVKDONJSA-N 0 3 270.298 3.829 20 30 CHEDHN C[C@@H]1CC(=O)C=C(Nc2ccccc2CN2CCCC2)C1 ZINC001210775986 1118382998 /nfs/dbraw/zinc/38/29/98/1118382998.db2.gz OKIJYCDLLGXUBI-AWEZNQCLSA-N 0 3 284.403 3.577 20 30 CHEDHN C=CCCCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001168604744 1118388567 /nfs/dbraw/zinc/38/85/67/1118388567.db2.gz RWKZDMJZOWSIHN-LSDHHAIUSA-N 0 3 296.455 3.672 20 30 CHEDHN C=C(CC)CNCc1cc(Br)ccc1F ZINC000085057777 1118414639 /nfs/dbraw/zinc/41/46/39/1118414639.db2.gz VMJOOPKDBFBMCE-UHFFFAOYSA-N 0 3 272.161 3.644 20 30 CHEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccoc1 ZINC000177823721 1118511207 /nfs/dbraw/zinc/51/12/07/1118511207.db2.gz HBVNWSYGAVWLRE-CYBMUJFWSA-N 0 3 286.400 3.735 20 30 CHEDHN Cc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(C)c1F ZINC001143381941 1118516572 /nfs/dbraw/zinc/51/65/72/1118516572.db2.gz QRRIDPLRAQSTIP-MKZZRHPPSA-N 0 3 272.367 3.709 20 30 CHEDHN C=CC[C@@H](CO)NCc1c(Cl)cccc1SC(C)C ZINC000684395957 1118678013 /nfs/dbraw/zinc/67/80/13/1118678013.db2.gz LHHBQENQGIAIPH-LBPRGKRZSA-N 0 3 299.867 3.867 20 30 CHEDHN C=C(C)COc1cc(CN2CC(C(C)C)C2)ccc1OC ZINC000684407694 1118684315 /nfs/dbraw/zinc/68/43/15/1118684315.db2.gz BVJWHJUATSHRNG-UHFFFAOYSA-N 0 3 289.419 3.738 20 30 CHEDHN CCOc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000127289485 1118692350 /nfs/dbraw/zinc/69/23/50/1118692350.db2.gz WFZWGDYPOQOEOU-UHFFFAOYSA-N 0 3 280.371 3.589 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000933489670 1118705278 /nfs/dbraw/zinc/70/52/78/1118705278.db2.gz XIFKHENLVYZYFC-CQSZACIVSA-N 0 3 292.382 3.652 20 30 CHEDHN C[C@H]1C[C@@H](NCC2(CC#N)CC2)c2ccsc2S1 ZINC000430737453 1118766128 /nfs/dbraw/zinc/76/61/28/1118766128.db2.gz BJAYTZLDVYPRNC-CMPLNLGQSA-N 0 3 278.446 3.957 20 30 CHEDHN CCn1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)c1 ZINC000616786209 1128799669 /nfs/dbraw/zinc/79/96/69/1128799669.db2.gz OZCCEDSTFKYTOX-UHFFFAOYSA-N 0 3 295.430 3.941 20 30 CHEDHN Cc1cc([C@@H](C)NCc2cccc(C#N)c2)ccc1F ZINC000610583455 1118779844 /nfs/dbraw/zinc/77/98/44/1118779844.db2.gz NAQCRRTZQJLFGY-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN C=CCN1CCC(NC(=O)[C@H](CCCCC)C(C)C)CC1 ZINC000176301453 1118913043 /nfs/dbraw/zinc/91/30/43/1118913043.db2.gz NBZWDXYNRDBRHK-QGZVFWFLSA-N 0 3 294.483 3.606 20 30 CHEDHN Cc1ccc(C)c([C@@H](C)N(C)Cc2ccnc(C#N)c2)c1 ZINC000610991686 1118916891 /nfs/dbraw/zinc/91/68/91/1118916891.db2.gz RANAGDYMPYZGLS-OAHLLOKOSA-N 0 3 279.387 3.763 20 30 CHEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000158145794 1119064185 /nfs/dbraw/zinc/06/41/85/1119064185.db2.gz XZYXMTUALULWKC-ONGXEEELSA-N 0 3 282.434 3.584 20 30 CHEDHN N#CC(C(=O)c1cc2c(s1)CCCC2)c1ccccn1 ZINC000046705628 1119075993 /nfs/dbraw/zinc/07/59/93/1119075993.db2.gz PZQMNQMEBVFVIK-LBPRGKRZSA-N 0 3 282.368 3.512 20 30 CHEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H](C(C)C)CC2)nn1 ZINC000657438723 1119092395 /nfs/dbraw/zinc/09/23/95/1119092395.db2.gz VHBAGWSQBYNELK-CVEARBPZSA-N 0 3 290.455 3.549 20 30 CHEDHN N#CCCCN[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000342726787 1119142905 /nfs/dbraw/zinc/14/29/05/1119142905.db2.gz IXGFXWZJJNBZFV-ZDUSSCGKSA-N 0 3 269.175 3.874 20 30 CHEDHN C=CCCC1(CNCc2cscn2)CCCC1 ZINC000657567552 1119188030 /nfs/dbraw/zinc/18/80/30/1119188030.db2.gz TWYLMEQRVIJVDO-UHFFFAOYSA-N 0 3 250.411 3.759 20 30 CHEDHN C=CCCC1(CNCc2nccn2CC)CCCC1 ZINC000657566919 1119189079 /nfs/dbraw/zinc/18/90/79/1119189079.db2.gz DQCHWVOQGZLGJW-UHFFFAOYSA-N 0 3 261.413 3.519 20 30 CHEDHN CCc1nc2c(s1)[C@@H](N(C)CCC(C)(C)C#N)CCC2 ZINC000119985619 1119226465 /nfs/dbraw/zinc/22/64/65/1119226465.db2.gz NAQGCLYXDCJAHR-ZDUSSCGKSA-N 0 3 291.464 3.955 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccc(-c3ccccc3)o2)C1 ZINC000349793497 1119236757 /nfs/dbraw/zinc/23/67/57/1119236757.db2.gz WCNFQTLHYVRZHI-ZFWWWQNUSA-N 0 3 266.344 3.728 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(C)nc1 ZINC000153794148 1119286542 /nfs/dbraw/zinc/28/65/42/1119286542.db2.gz IPNPIBNAOVUVLI-UHFFFAOYSA-N 0 3 266.388 3.621 20 30 CHEDHN N#Cc1ccc(CCN2CCOC3(C2)CCCCCC3)cc1 ZINC001167658697 1119312953 /nfs/dbraw/zinc/31/29/53/1119312953.db2.gz KKVGCBRDOJSMAU-UHFFFAOYSA-N 0 3 298.430 3.526 20 30 CHEDHN C[C@@]1(Cc2cccc(F)c2)CCCN1Cc1ccc(C#N)o1 ZINC000572962246 1119348597 /nfs/dbraw/zinc/34/85/97/1119348597.db2.gz YHFBDQFENVQSPL-SFHVURJKSA-N 0 3 298.361 3.888 20 30 CHEDHN CC#CCCN1CCC(c2cccc(F)c2F)CC1 ZINC000583727598 1119402602 /nfs/dbraw/zinc/40/26/02/1119402602.db2.gz XVFGKGFZTMHEDS-UHFFFAOYSA-N 0 3 263.331 3.558 20 30 CHEDHN C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC000092261678 1119415081 /nfs/dbraw/zinc/41/50/81/1119415081.db2.gz CIXBOQWRYBDCRC-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC000092261678 1119415084 /nfs/dbraw/zinc/41/50/84/1119415084.db2.gz CIXBOQWRYBDCRC-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN CC(C)c1ccc(C[C@H](C)NC[C@@H](C#N)CCC#N)cc1 ZINC000583867073 1119427068 /nfs/dbraw/zinc/42/70/68/1119427068.db2.gz RAATXCVJQOWUJZ-DOTOQJQBSA-N 0 3 283.419 3.774 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@@H](O)c1ccccc1C ZINC000158523075 1119454537 /nfs/dbraw/zinc/45/45/37/1119454537.db2.gz UOBOWSJZZFUNHW-QGZVFWFLSA-N 0 3 287.428 3.778 20 30 CHEDHN CCCN(Cc1ccc(C#N)cn1)[C@@H]1CCc2ccccc21 ZINC000584061469 1119469569 /nfs/dbraw/zinc/46/95/69/1119469569.db2.gz MFUGYRAOMZWUNO-LJQANCHMSA-N 0 3 291.398 3.853 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCC[C@H]1F ZINC000340525626 1119514668 /nfs/dbraw/zinc/51/46/68/1119514668.db2.gz WZXQARQQXKRSQJ-IXDOHACOSA-N 0 3 272.367 3.806 20 30 CHEDHN C=C(CNCc1ccccc1OCCOC)c1ccccc1 ZINC000343776609 1119521901 /nfs/dbraw/zinc/52/19/01/1119521901.db2.gz JEARWPSQECALLE-UHFFFAOYSA-N 0 3 297.398 3.515 20 30 CHEDHN CN(CCCc1ccccc1)Cc1cc(C#N)cs1 ZINC000179317280 1119710079 /nfs/dbraw/zinc/71/00/79/1119710079.db2.gz CHYQCNDGVJFOCG-UHFFFAOYSA-N 0 3 270.401 3.684 20 30 CHEDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(CC#N)cc1 ZINC000612121895 1119715061 /nfs/dbraw/zinc/71/50/61/1119715061.db2.gz SIZNLUJEEXXCQR-SWLSCSKDSA-N 0 3 296.336 3.915 20 30 CHEDHN C=CCCCN[C@H](C)c1ncc(Br)cc1F ZINC000280205417 1119810527 /nfs/dbraw/zinc/81/05/27/1119810527.db2.gz VUCJHEVOPYANDX-SECBINFHSA-N 0 3 287.176 3.600 20 30 CHEDHN N#Cc1c(F)cc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1F ZINC001140754951 1119810802 /nfs/dbraw/zinc/81/08/02/1119810802.db2.gz PVMCJJUUDTYJAC-GUYCJALGSA-N 0 3 290.357 3.991 20 30 CHEDHN C[C@H]1CCN(Cc2ccnc(C#N)c2)CC12CCCCC2 ZINC000613188784 1119882602 /nfs/dbraw/zinc/88/26/02/1119882602.db2.gz CIKKJMFYQHQRQY-HNNXBMFYSA-N 0 3 283.419 3.746 20 30 CHEDHN Cc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000180152625 1119923508 /nfs/dbraw/zinc/92/35/08/1119923508.db2.gz UMYZPCUXTURSKJ-KRWDZBQOSA-N 0 3 266.344 3.797 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1ccccc1Cl ZINC000414166326 1119923515 /nfs/dbraw/zinc/92/35/15/1119923515.db2.gz NIJXEBARJPRKJH-LLVKDONJSA-N 0 3 250.773 3.930 20 30 CHEDHN CCOc1ccccc1[C@@H](C)NCC(C)(C)CC#N ZINC000414166375 1119923935 /nfs/dbraw/zinc/92/39/35/1119923935.db2.gz NNBIDINTUNJZDO-CYBMUJFWSA-N 0 3 260.381 3.676 20 30 CHEDHN N#CC(C(=O)CCc1cc(Cl)cs1)c1ccccn1 ZINC000077865800 1128879085 /nfs/dbraw/zinc/87/90/85/1128879085.db2.gz XMFLCBCJYDHCRW-LBPRGKRZSA-N 0 3 290.775 3.606 20 30 CHEDHN Cc1c2[nH]cnc2ccc1N[C@@H](C)c1cccc(C#N)c1 ZINC001167710858 1120077471 /nfs/dbraw/zinc/07/74/71/1120077471.db2.gz XRBKLXTXNXRPEQ-LBPRGKRZSA-N 0 3 276.343 3.916 20 30 CHEDHN CC(C)CN(CCC#N)CCCc1ccsc1 ZINC000782931402 1120080423 /nfs/dbraw/zinc/08/04/23/1120080423.db2.gz JIRGTYDEAUHGHZ-UHFFFAOYSA-N 0 3 250.411 3.552 20 30 CHEDHN C#CCOc1ccc(CN(CC=C)Cc2ccccc2)cc1 ZINC001138557128 1128890058 /nfs/dbraw/zinc/89/00/58/1128890058.db2.gz ACLWPUPUNWQHRZ-UHFFFAOYSA-N 0 3 291.394 3.887 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@H](OC)C1CCC1 ZINC000659815354 1120116009 /nfs/dbraw/zinc/11/60/09/1120116009.db2.gz DLDRHZUJPJRCPQ-HNNXBMFYSA-N 0 3 265.422 3.551 20 30 CHEDHN CCN(CC)[C@H](CNc1ccc(C#N)cc1)c1ccco1 ZINC000301091804 1120130271 /nfs/dbraw/zinc/13/02/71/1120130271.db2.gz LBZXEDJTRZIXGL-MRXNPFEDSA-N 0 3 283.375 3.646 20 30 CHEDHN CN1CC[C@@H](Nc2cccc(F)c2C#N)[C@H]1c1ccccc1 ZINC000301828702 1120145730 /nfs/dbraw/zinc/14/57/30/1120145730.db2.gz GLQKRUZYYZSPTK-QZTJIDSGSA-N 0 3 295.361 3.555 20 30 CHEDHN CN1CC[C@H](Nc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000302833158 1120164551 /nfs/dbraw/zinc/16/45/51/1120164551.db2.gz SAZZLABERFQQCL-ZWKOTPCHSA-N 0 3 295.361 3.555 20 30 CHEDHN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000153712542 1120165366 /nfs/dbraw/zinc/16/53/66/1120165366.db2.gz JSHLEYDSTLBZCL-UGSOOPFHSA-N 0 3 292.382 3.905 20 30 CHEDHN C[C@H]1C[C@@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000264398637 1120188226 /nfs/dbraw/zinc/18/82/26/1120188226.db2.gz VBGSJFZHABOJMW-SCLBCKFNSA-N 0 3 262.356 3.896 20 30 CHEDHN C[C@@H]1CCCN(Cc2sc(N)c(C#N)c2Cl)C[C@@H]1C ZINC001141106723 1120353745 /nfs/dbraw/zinc/35/37/45/1120353745.db2.gz GFPDBEPYNOBRQC-ZJUUUORDSA-N 0 3 297.855 3.723 20 30 CHEDHN N#Cc1cc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)cs1 ZINC000922319011 1120508463 /nfs/dbraw/zinc/50/84/63/1120508463.db2.gz RVQMTJIHVIISCE-VXGBXAGGSA-N 0 3 286.322 3.606 20 30 CHEDHN CC(C)(/C=C\Cl)NCc1cccc(OCCCC#N)c1 ZINC000922648307 1120571706 /nfs/dbraw/zinc/57/17/06/1120571706.db2.gz HOJRQVUMPOZXIC-HJWRWDBZSA-N 0 3 292.810 3.990 20 30 CHEDHN N#Cc1c(F)cccc1CN(CC1CC1)CC1CCC1 ZINC000428942206 1120578307 /nfs/dbraw/zinc/57/83/07/1120578307.db2.gz YKLMEYDZARUNRH-UHFFFAOYSA-N 0 3 272.367 3.709 20 30 CHEDHN C=CCC[C@H](NCc1cncs1)c1ccccc1 ZINC000158840252 1120624423 /nfs/dbraw/zinc/62/44/23/1120624423.db2.gz FJODYKKCKWOLDP-HNNXBMFYSA-N 0 3 258.390 3.940 20 30 CHEDHN C=C(C)[C@H](NC[C@@H](OCC)C1CC1)c1ccc(F)c(F)c1 ZINC000625339255 1120670023 /nfs/dbraw/zinc/67/00/23/1120670023.db2.gz ISBLXOXNBOYCKB-SJORKVTESA-N 0 3 295.373 3.987 20 30 CHEDHN COc1ccsc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618802486 1128938266 /nfs/dbraw/zinc/93/82/66/1128938266.db2.gz DXYOVNHUBDCRDB-NHYWBVRUSA-N 0 3 298.411 3.966 20 30 CHEDHN C=CCCCCC[N@@H+](C)Cc1cc([O-])cc(F)c1 ZINC000473139470 1120800203 /nfs/dbraw/zinc/80/02/03/1120800203.db2.gz BGEUKYWUVAAIMD-UHFFFAOYSA-N 0 3 251.345 3.710 20 30 CHEDHN C=CCCCCC[N@H+](C)Cc1cc([O-])cc(F)c1 ZINC000473139470 1120800205 /nfs/dbraw/zinc/80/02/05/1120800205.db2.gz BGEUKYWUVAAIMD-UHFFFAOYSA-N 0 3 251.345 3.710 20 30 CHEDHN C=CCC1(NCc2csc([C@@H](C)OC)n2)CCCC1 ZINC000661862928 1120827047 /nfs/dbraw/zinc/82/70/47/1120827047.db2.gz JAEKPCPJABJWSJ-GFCCVEGCSA-N 0 3 280.437 3.829 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccccc1CC ZINC000662078795 1120870648 /nfs/dbraw/zinc/87/06/48/1120870648.db2.gz GSPAHFLRLUDPCX-OIISXLGYSA-N 0 3 298.430 3.759 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(c1ccccc1)C(C)C ZINC000662078758 1120871819 /nfs/dbraw/zinc/87/18/19/1120871819.db2.gz JQVHYTMROFRBKB-HDICACEKSA-N 0 3 298.430 3.611 20 30 CHEDHN C=CCC[C@H](CCC)N[C@H](c1nc(C)no1)C(C)C ZINC000168084816 1120914354 /nfs/dbraw/zinc/91/43/54/1120914354.db2.gz CNFJEGAMEJVMPR-KBPBESRZSA-N 0 3 265.401 3.800 20 30 CHEDHN C=CC[C@H]1CCN(Cc2nsc3ccccc32)C1 ZINC000625701236 1121061109 /nfs/dbraw/zinc/06/11/09/1121061109.db2.gz HVMQFJWPAWLNJV-LBPRGKRZSA-N 0 3 258.390 3.694 20 30 CHEDHN C[C@H](NC[C@@H]1COc2ccccc21)c1ccc(C#N)cc1F ZINC000344103505 1121083988 /nfs/dbraw/zinc/08/39/88/1121083988.db2.gz UIXAABNNIYYKGE-GXTWGEPZSA-N 0 3 296.345 3.524 20 30 CHEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000076067576 1121141875 /nfs/dbraw/zinc/14/18/75/1121141875.db2.gz XKHCUNFYWGIJDY-HUUCEWRRSA-N 0 3 292.423 3.803 20 30 CHEDHN Cc1ccsc1CNCc1ccc(C)c(C#N)c1 ZINC000701820014 1121170068 /nfs/dbraw/zinc/17/00/68/1121170068.db2.gz JTOUYAICKOFVEM-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)[C@H]1CCc2ccccc2C1 ZINC000512316207 1121259971 /nfs/dbraw/zinc/25/99/71/1121259971.db2.gz XSCCGVSUZWPGKG-SFHVURJKSA-N 0 3 294.373 3.687 20 30 CHEDHN Cc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000360973106 1121388358 /nfs/dbraw/zinc/38/83/58/1121388358.db2.gz GZQLXEUDOZRSIH-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN COc1ccc(CNC2(c3ccccc3C)CC2)cc1C#N ZINC000829499679 1121477278 /nfs/dbraw/zinc/47/72/78/1121477278.db2.gz CIWMYIINHNDXMJ-UHFFFAOYSA-N 0 3 292.382 3.654 20 30 CHEDHN C=CCN(CCC1CCOCC1)Cc1ccccc1F ZINC000432928265 1121482778 /nfs/dbraw/zinc/48/27/78/1121482778.db2.gz LYTVUZTZMQVLEK-UHFFFAOYSA-N 0 3 277.383 3.630 20 30 CHEDHN CO[C@]1(C)C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000512662686 1121513334 /nfs/dbraw/zinc/51/33/34/1121513334.db2.gz ZNIAGGLRTPBDOZ-UXEPBGEESA-N 0 3 290.382 3.552 20 30 CHEDHN CO[C@]1(C)C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000512662687 1121513347 /nfs/dbraw/zinc/51/33/47/1121513347.db2.gz ZNIAGGLRTPBDOZ-XNJJOIOASA-N 0 3 290.382 3.552 20 30 CHEDHN C=C(C)CCN(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000509292685 1121516765 /nfs/dbraw/zinc/51/67/65/1121516765.db2.gz BCVMLNHEPURQNM-KRWDZBQOSA-N 0 3 289.419 3.642 20 30 CHEDHN Cc1ccccc1OCCN[C@H](C)c1ccc(C#N)cc1F ZINC000512668989 1121519906 /nfs/dbraw/zinc/51/99/06/1121519906.db2.gz YDLLUJIIASZSLX-CQSZACIVSA-N 0 3 298.361 3.735 20 30 CHEDHN CC(C)=CCOc1ccc(CC[C@H](C)NCCC#N)cc1 ZINC000426006211 1121535638 /nfs/dbraw/zinc/53/56/38/1121535638.db2.gz VRQKCPHICDTRRS-INIZCTEOSA-N 0 3 286.419 3.856 20 30 CHEDHN C=CCC1(NCc2nc(-c3ccccn3)no2)CCCCC1 ZINC000625937048 1121553818 /nfs/dbraw/zinc/55/38/18/1121553818.db2.gz JCLRPLJUECSEBW-UHFFFAOYSA-N 0 3 298.390 3.500 20 30 CHEDHN CC(C)C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000466721167 1121567637 /nfs/dbraw/zinc/56/76/37/1121567637.db2.gz CXGDFUFBOOLTPI-HNNXBMFYSA-N 0 3 281.403 3.679 20 30 CHEDHN C=CC[C@H]1N(Cc2n[nH]c(C(C)(C)C)n2)CCCC1(C)C ZINC000433204524 1121616097 /nfs/dbraw/zinc/61/60/97/1121616097.db2.gz HSYXVKIRWFVSSV-CYBMUJFWSA-N 0 3 290.455 3.669 20 30 CHEDHN CC(C)(CCC#N)CN1CC[C@@H]1c1cccc(F)c1 ZINC000611274556 1121633784 /nfs/dbraw/zinc/63/37/84/1121633784.db2.gz RAUDOIAGALNDPX-OAHLLOKOSA-N 0 3 260.356 3.902 20 30 CHEDHN C=CCn1cc(Nc2ccnc(C(C)(C)C)c2)cn1 ZINC001176544038 1121639848 /nfs/dbraw/zinc/63/98/48/1121639848.db2.gz GDYDOZCPJSRKAG-UHFFFAOYSA-N 0 3 256.353 3.505 20 30 CHEDHN CC[C@H](NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611377218 1121641808 /nfs/dbraw/zinc/64/18/08/1121641808.db2.gz BOKWYJPWYVUXTE-INIZCTEOSA-N 0 3 285.778 3.848 20 30 CHEDHN CC(C)C[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000611376619 1121642600 /nfs/dbraw/zinc/64/26/00/1121642600.db2.gz ZRYKTYPBIFQXQQ-SFHVURJKSA-N 0 3 279.387 3.830 20 30 CHEDHN C=CCC[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000611397609 1121643429 /nfs/dbraw/zinc/64/34/29/1121643429.db2.gz DSKGXONCEJZNQN-GOSISDBHSA-N 0 3 277.371 3.750 20 30 CHEDHN N#Cc1cc(CN[C@H](CC2CC2)c2ccccc2)ccn1 ZINC000611395835 1121643451 /nfs/dbraw/zinc/64/34/51/1121643451.db2.gz XCWLYFJDSXOTSG-GOSISDBHSA-N 0 3 277.371 3.584 20 30 CHEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCC(C)(C)C#N ZINC000611553996 1121655560 /nfs/dbraw/zinc/65/55/60/1121655560.db2.gz AOTVFDKQSOBGAX-QWRGUYRKSA-N 0 3 262.319 3.589 20 30 CHEDHN CC#CCN1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176664794 1121671196 /nfs/dbraw/zinc/67/11/96/1121671196.db2.gz NZSRCRGYVJPNLO-CQSZACIVSA-N 0 3 267.825 3.822 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000397635968 1121690306 /nfs/dbraw/zinc/69/03/06/1121690306.db2.gz XBUSKBCGTVSPJB-LBPRGKRZSA-N 0 3 282.309 3.831 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000619671991 1129003325 /nfs/dbraw/zinc/00/33/25/1129003325.db2.gz GYGNLEHGBUOFIN-GDBMZVCRSA-N 0 3 293.370 3.656 20 30 CHEDHN C[C@H](c1ccco1)N(CCOc1cccc(C#N)c1)C1CC1 ZINC000086234106 1121726040 /nfs/dbraw/zinc/72/60/40/1121726040.db2.gz FLNRWQQFHKVSRT-CQSZACIVSA-N 0 3 296.370 3.756 20 30 CHEDHN CCCCCCC[C@@H](C)CNCc1cc(C)n(C)n1 ZINC001177429484 1121730122 /nfs/dbraw/zinc/73/01/22/1121730122.db2.gz ZADKDTHCAMKXDU-CQSZACIVSA-N 0 3 265.445 3.815 20 30 CHEDHN C=CC[C@@H](NCc1ccc2c(c1)CCC2)c1ccncc1 ZINC001177886046 1121754879 /nfs/dbraw/zinc/75/48/79/1121754879.db2.gz VULNJWBYDMCCCE-LJQANCHMSA-N 0 3 278.399 3.977 20 30 CHEDHN COc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1F ZINC000022817879 1121791869 /nfs/dbraw/zinc/79/18/69/1121791869.db2.gz HTNDZKVKTBHKPT-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN Cc1cccc(C(C)N=Nc2ccnc3ccccc23)c1 ZINC000730147969 1121795042 /nfs/dbraw/zinc/79/50/42/1121795042.db2.gz LQNGDJIHZCFTHX-UHFFFAOYSA-N 0 3 275.355 3.801 20 30 CHEDHN C=CCCCC[C@H](C)NCc1nccn1C(F)F ZINC000345128765 1121848316 /nfs/dbraw/zinc/84/83/16/1121848316.db2.gz HQWLGRADXLDIBG-NSHDSACASA-N 0 3 257.328 3.503 20 30 CHEDHN C#CC[C@H](NCc1ccc(N(C)CC)cc1)c1ccccc1 ZINC000773813634 1121870303 /nfs/dbraw/zinc/87/03/03/1121870303.db2.gz VNRCIBTWOMOWSP-FQEVSTJZSA-N 0 3 292.426 3.997 20 30 CHEDHN C=CCN(CCn1ccnc1C)Cc1ccc(Cl)s1 ZINC000345546199 1121893435 /nfs/dbraw/zinc/89/34/35/1121893435.db2.gz RLIAAWWWRXKSLO-UHFFFAOYSA-N 0 3 295.839 3.595 20 30 CHEDHN C#CCOc1ccc(CNCc2cc(Cl)ccc2C)cc1 ZINC001179728427 1121904091 /nfs/dbraw/zinc/90/40/91/1121904091.db2.gz DVEIFZZCCGJGTG-UHFFFAOYSA-N 0 3 299.801 3.950 20 30 CHEDHN CC(C#N)C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001179888852 1121918545 /nfs/dbraw/zinc/91/85/45/1121918545.db2.gz PSUQPSQDAFXBPG-VIFPVBQESA-N 0 3 299.330 3.524 20 30 CHEDHN N#CC(C(=O)C1CCSCC1)c1ccc2ccccc2n1 ZINC000733052949 1121953239 /nfs/dbraw/zinc/95/32/39/1121953239.db2.gz HEJFSSGYRHTLBX-AWEZNQCLSA-N 0 3 296.395 3.554 20 30 CHEDHN C=C(C)CN(CC)Cc1cnc2c(F)cccc2c1 ZINC001180437571 1121987295 /nfs/dbraw/zinc/98/72/95/1121987295.db2.gz LESKUXVNLYZJBH-UHFFFAOYSA-N 0 3 258.340 3.772 20 30 CHEDHN Cc1cc2cc(CNCC3(CC#N)CC3)oc2cc1C ZINC000430042541 1122032605 /nfs/dbraw/zinc/03/26/05/1122032605.db2.gz COOPBMFREADIRQ-UHFFFAOYSA-N 0 3 268.360 3.833 20 30 CHEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)CCCCCCC ZINC001181133150 1122039041 /nfs/dbraw/zinc/03/90/41/1122039041.db2.gz OIFDKXMRWDQCJC-IRXDYDNUSA-N 0 3 294.483 3.750 20 30 CHEDHN C#CCN(CCC(C)(C)SC)Cc1ccccc1 ZINC001181637174 1122064842 /nfs/dbraw/zinc/06/48/42/1122064842.db2.gz AWOHDANSUZSLJK-UHFFFAOYSA-N 0 3 261.434 3.654 20 30 CHEDHN Cc1ccccc1CC1CN(Cc2ccc(C#N)c(C)c2)C1 ZINC001182990342 1122198667 /nfs/dbraw/zinc/19/86/67/1122198667.db2.gz OZMFYJKBAOUAOC-UHFFFAOYSA-N 0 3 290.410 3.850 20 30 CHEDHN CCC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccccn1 ZINC000924946328 1122205792 /nfs/dbraw/zinc/20/57/92/1122205792.db2.gz NAGIFFYRDFEKDN-UKRRQHHQSA-N 0 3 259.397 3.841 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC(S)CC1 ZINC001138665000 1129041348 /nfs/dbraw/zinc/04/13/48/1129041348.db2.gz DSKSFMLHRQSNEJ-UHFFFAOYSA-N 0 3 277.433 3.536 20 30 CHEDHN C#C[C@H](C)N(C)Cc1cc(-c2ccccc2)cs1 ZINC000775184000 1122471295 /nfs/dbraw/zinc/47/12/95/1122471295.db2.gz RMIYMVTUKNYPSY-ZDUSSCGKSA-N 0 3 255.386 3.869 20 30 CHEDHN Cc1cc(OCCC[C@H](C)NC[C@@H](C)C#N)ccc1Cl ZINC000515389578 1122495252 /nfs/dbraw/zinc/49/52/52/1122495252.db2.gz IQHCWCIRWWTNQS-JSGCOSHPSA-N 0 3 294.826 3.945 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)c1ccccc1 ZINC000425533416 1122543959 /nfs/dbraw/zinc/54/39/59/1122543959.db2.gz KTKBFYJWZXTNLJ-OAHLLOKOSA-N 0 3 292.382 3.824 20 30 CHEDHN Cc1ccc(OCCNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000775430787 1122568342 /nfs/dbraw/zinc/56/83/42/1122568342.db2.gz JKSZOYTVDUWMPR-UHFFFAOYSA-N 0 3 292.382 3.524 20 30 CHEDHN N#CCC[C@H](NC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775554702 1122661040 /nfs/dbraw/zinc/66/10/40/1122661040.db2.gz ZLZZXHUKGOVXEX-OLZOCXBDSA-N 0 3 283.202 3.815 20 30 CHEDHN CC[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438506537 1122706496 /nfs/dbraw/zinc/70/64/96/1122706496.db2.gz SWROAXRICHRFIR-CYBMUJFWSA-N 0 3 297.320 3.669 20 30 CHEDHN C=C[C@H]1CCCCN1C/C=C/c1ccccc1OC ZINC000426570136 1122824900 /nfs/dbraw/zinc/82/49/00/1122824900.db2.gz IMHIWFKQIKGBAJ-DZZUKKPASA-N 0 3 257.377 3.749 20 30 CHEDHN C=CC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000775693953 1122910682 /nfs/dbraw/zinc/91/06/82/1122910682.db2.gz CKOVRGOZQABIEY-UHFFFAOYSA-N 0 3 265.784 3.752 20 30 CHEDHN C=CCCCCCN(C)Cc1cnc(C(C)C)nc1 ZINC000440484018 1122923214 /nfs/dbraw/zinc/92/32/14/1122923214.db2.gz TWRJSQLAAFHZCR-UHFFFAOYSA-N 0 3 261.413 3.778 20 30 CHEDHN C[C@H]1CCCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000775731842 1122928188 /nfs/dbraw/zinc/92/81/88/1122928188.db2.gz IPHDRWDHRDLEQI-ZDUSSCGKSA-N 0 3 292.810 3.864 20 30 CHEDHN CCCCCCCN1CCN(c2cccc(F)c2)CC1 ZINC001197031097 1122943363 /nfs/dbraw/zinc/94/33/63/1122943363.db2.gz HSBIYVMPBWSCFZ-UHFFFAOYSA-N 0 3 278.415 3.918 20 30 CHEDHN Cc1cc(F)ccc1[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001197611336 1122960989 /nfs/dbraw/zinc/96/09/89/1122960989.db2.gz PZUBHYMAFZLAHZ-CQSZACIVSA-N 0 3 285.337 3.976 20 30 CHEDHN C#CCN(CCSCC)[C@H]1CCCc2ccccc21 ZINC001198103218 1122981868 /nfs/dbraw/zinc/98/18/68/1122981868.db2.gz FWSITLDACDYBGD-KRWDZBQOSA-N 0 3 273.445 3.752 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)c(F)c1 ZINC000507673208 1122983973 /nfs/dbraw/zinc/98/39/73/1122983973.db2.gz NNAFHCLCLQYBLJ-KRWDZBQOSA-N 0 3 294.373 3.762 20 30 CHEDHN CCc1ccc2c(c1)CN(CCC(C)(C)C#N)CC2 ZINC001198851839 1123013077 /nfs/dbraw/zinc/01/30/77/1123013077.db2.gz LFQPZCBTDCZRHE-UHFFFAOYSA-N 0 3 256.393 3.547 20 30 CHEDHN C=CCN(C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000121524653 1123029237 /nfs/dbraw/zinc/02/92/37/1123029237.db2.gz NFBKEYZFPJZLCS-UHFFFAOYSA-N 0 3 291.338 3.925 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000183763848 1129098869 /nfs/dbraw/zinc/09/88/69/1129098869.db2.gz VZWPIAWIYQCAML-WDEREUQCSA-N 0 3 288.218 3.971 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(F)cc1C#N ZINC000441464300 1123136594 /nfs/dbraw/zinc/13/65/94/1123136594.db2.gz AJNJTLAMNPDRFR-PBFPGSCMSA-N 0 3 272.367 3.850 20 30 CHEDHN C=CCN(Cc1ccc(OC)c(OCCC)c1)C1CC1 ZINC000350269769 1123143868 /nfs/dbraw/zinc/14/38/68/1123143868.db2.gz RVIRZRKAWVJOBC-UHFFFAOYSA-N 0 3 275.392 3.634 20 30 CHEDHN N#CCCC[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000340448407 1123145726 /nfs/dbraw/zinc/14/57/26/1123145726.db2.gz SMPKXCGBSNDLQM-SJORKVTESA-N 0 3 294.402 3.812 20 30 CHEDHN CCCCCCCCCCN1C[C@H](F)C[C@@H](CO)C1 ZINC001201852748 1123152025 /nfs/dbraw/zinc/15/20/25/1123152025.db2.gz JLULHHNMTNUBDM-HZPDHXFCSA-N 0 3 273.436 3.779 20 30 CHEDHN CCCCCCCCCN1CCc2nn(C)cc2C1 ZINC001201847645 1123155827 /nfs/dbraw/zinc/15/58/27/1123155827.db2.gz XXOQVUZBXPTZIA-UHFFFAOYSA-N 0 3 263.429 3.529 20 30 CHEDHN C[C@@H](N[C@@H](C)COc1ccccc1)c1ccc(C#N)cc1F ZINC000781420947 1123214022 /nfs/dbraw/zinc/21/40/22/1123214022.db2.gz NEOZGLFDZIKOSU-UONOGXRCSA-N 0 3 298.361 3.815 20 30 CHEDHN C[C@H](COc1ccccc1)N[C@H](C)c1ccc(C#N)cc1F ZINC000781420948 1123214267 /nfs/dbraw/zinc/21/42/67/1123214267.db2.gz NEOZGLFDZIKOSU-ZIAGYGMSSA-N 0 3 298.361 3.815 20 30 CHEDHN C=CCCN(C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000343446425 1123242093 /nfs/dbraw/zinc/24/20/93/1123242093.db2.gz RQDCTRFOIOXWCN-UHFFFAOYSA-N 0 3 283.419 3.556 20 30 CHEDHN C=C1CCN(C/C(C)=C/c2ccccc2COC)CC1 ZINC000508248059 1123272426 /nfs/dbraw/zinc/27/24/26/1123272426.db2.gz KVEGECXUOYMUIX-FOWTUZBSSA-N 0 3 271.404 3.888 20 30 CHEDHN CC[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccc(C#N)cc1 ZINC000850524837 1123281380 /nfs/dbraw/zinc/28/13/80/1123281380.db2.gz DSMALQOQUWPASP-GBESFXJTSA-N 0 3 292.382 3.777 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1OC(=O)C1CCN(C2CC2)CC1 ZINC000851143293 1123327897 /nfs/dbraw/zinc/32/78/97/1123327897.db2.gz KKTJLEIQDVWBDG-WMLDXEAASA-N 0 3 291.435 3.539 20 30 CHEDHN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 ZINC000442782693 1123337982 /nfs/dbraw/zinc/33/79/82/1123337982.db2.gz LYGKTUSHQBLLRM-UHFFFAOYSA-N 0 3 296.336 3.920 20 30 CHEDHN C#Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853094759 1123424120 /nfs/dbraw/zinc/42/41/20/1123424120.db2.gz MYPLQQWARPEKIH-OAHLLOKOSA-N 0 3 291.394 3.844 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2cc3ccnc(Cl)c3s2)C1 ZINC000895390703 1123474235 /nfs/dbraw/zinc/47/42/35/1123474235.db2.gz PPMVCWRGVDYSIH-LLVKDONJSA-N 0 3 290.819 3.795 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cccnc2)c1 ZINC000113952602 1123548661 /nfs/dbraw/zinc/54/86/61/1123548661.db2.gz VTJRPCGJRLUUIL-WMLDXEAASA-N 0 3 295.386 3.613 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2cc3ccccc3o2)C1 ZINC000185780769 1123611562 /nfs/dbraw/zinc/61/15/62/1123611562.db2.gz WSHVNOOQFDMROM-JSGCOSHPSA-N 0 3 254.333 3.605 20 30 CHEDHN N#CCCC[C@H](NCc1ccnc(F)c1)c1ccccc1 ZINC000858169058 1123636003 /nfs/dbraw/zinc/63/60/03/1123636003.db2.gz JVYPWAMLGFWRSA-INIZCTEOSA-N 0 3 283.350 3.745 20 30 CHEDHN C#Cc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858239231 1123639156 /nfs/dbraw/zinc/63/91/56/1123639156.db2.gz QNEIDOWNAUTTDY-LJQANCHMSA-N 0 3 276.383 3.694 20 30 CHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000329876828 1123656703 /nfs/dbraw/zinc/65/67/03/1123656703.db2.gz IKNVUIIHWLBOSB-BETUJISGSA-N 0 3 298.390 3.538 20 30 CHEDHN COc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000346088814 1123663439 /nfs/dbraw/zinc/66/34/39/1123663439.db2.gz VOLDGWWPCWCULO-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN Cc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1C#N ZINC000859275592 1123694418 /nfs/dbraw/zinc/69/44/18/1123694418.db2.gz PBIARGZLVBGVAD-SFHVURJKSA-N 0 3 292.382 3.740 20 30 CHEDHN C=C(CN[C@H](c1cncc(F)c1)C1CC1)c1ccccc1 ZINC000281417089 1123708677 /nfs/dbraw/zinc/70/86/77/1123708677.db2.gz ZQGLSGQEWPOCRM-SFHVURJKSA-N 0 3 282.362 3.975 20 30 CHEDHN Cc1cc(Cl)cc2c1OCCC[C@H]2NCCCC#N ZINC000346806088 1123715044 /nfs/dbraw/zinc/71/50/44/1123715044.db2.gz AUSPVVBUJHHNOD-CQSZACIVSA-N 0 3 278.783 3.756 20 30 CHEDHN N#CCCCN[C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000346838335 1123726291 /nfs/dbraw/zinc/72/62/91/1123726291.db2.gz RNCJYKPPWICHEK-KRWDZBQOSA-N 0 3 284.403 3.672 20 30 CHEDHN C#CC[C@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000862445231 1123811525 /nfs/dbraw/zinc/81/15/25/1123811525.db2.gz ORISUOYRKRMLAP-ZDUSSCGKSA-N 0 3 274.433 3.646 20 30 CHEDHN CC[C@@H]1CO[C@@H](CC)CN1CCCCC(C)(C)C#N ZINC000403905525 1123836529 /nfs/dbraw/zinc/83/65/29/1123836529.db2.gz WSXWGOKXAUPHOX-CABCVRRESA-N 0 3 266.429 3.596 20 30 CHEDHN C=C[C@@](C)(O)CNC(C)(C)c1ccc(Cl)cc1Cl ZINC001252577587 1123861384 /nfs/dbraw/zinc/86/13/84/1123861384.db2.gz KYZYYYMSNQXQGI-CQSZACIVSA-N 0 3 288.218 3.755 20 30 CHEDHN C=CCC(C)(C)CNCc1cccnc1Br ZINC000865578920 1123996184 /nfs/dbraw/zinc/99/61/84/1123996184.db2.gz PRIWNRATUYAKRD-UHFFFAOYSA-N 0 3 283.213 3.536 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2c(Cl)cncc2Cl)C1 ZINC000865586737 1123997331 /nfs/dbraw/zinc/99/73/31/1123997331.db2.gz JUIJQSVZQHSOTB-UWVGGRQHSA-N 0 3 284.190 3.560 20 30 CHEDHN Cc1cc(CN(C)Cc2ccc(CC#N)cc2)ccc1F ZINC000444739884 1124056797 /nfs/dbraw/zinc/05/67/97/1124056797.db2.gz AYWGALFUINGPKR-UHFFFAOYSA-N 0 3 282.362 3.832 20 30 CHEDHN N#Cc1cc(CN[C@@H](c2cccs2)C2CC2)ccc1F ZINC000544400960 1124081694 /nfs/dbraw/zinc/08/16/94/1124081694.db2.gz QXZFLXHDNNYZOJ-MRXNPFEDSA-N 0 3 286.375 4.000 20 30 CHEDHN C=CCOCCN[C@H](C)c1ccc(C(F)(F)F)s1 ZINC000718011325 1129165296 /nfs/dbraw/zinc/16/52/96/1129165296.db2.gz MTSNDXRTYAFPQH-SECBINFHSA-N 0 3 279.327 3.620 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)NCc1ncc(Br)s1 ZINC000866617242 1124089093 /nfs/dbraw/zinc/08/90/93/1124089093.db2.gz ZVGVTTLJTRGHPY-BDAKNGLRSA-N 0 3 289.242 3.596 20 30 CHEDHN CC1(C)CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC000446061131 1124108743 /nfs/dbraw/zinc/10/87/43/1124108743.db2.gz KQEYVOOTCWFUCI-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN CCS[C@@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000447044585 1124131285 /nfs/dbraw/zinc/13/12/85/1124131285.db2.gz MXHJGQSIHLBZNQ-QGZVFWFLSA-N 0 3 291.435 3.785 20 30 CHEDHN C#CCCCCCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000779937691 1129169600 /nfs/dbraw/zinc/16/96/00/1129169600.db2.gz BDIFAOPUSSIGQV-UHFFFAOYSA-N 0 3 286.419 3.579 20 30 CHEDHN C#C[C@H]1CC[C@H](NCc2csc(C(C)C)n2)CC1 ZINC001119090978 1131246796 /nfs/dbraw/zinc/24/67/96/1131246796.db2.gz SPZAPJSNEUEADN-JOCQHMNTSA-N 0 3 262.422 3.548 20 30 CHEDHN C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccccc1[O-] ZINC001119304422 1131249897 /nfs/dbraw/zinc/24/98/97/1131249897.db2.gz SRAVONPBJQPKRD-ASFAAARLSA-N 0 3 292.382 3.667 20 30 CHEDHN C[C@@H]1CCCC[C@H]1N(C)Cc1cccc(F)c1C#N ZINC000428476396 1124459297 /nfs/dbraw/zinc/45/92/97/1124459297.db2.gz DTCNZVRBAHXYKD-MLGOLLRUSA-N 0 3 260.356 3.708 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)c(F)c1)c1ccc(C#N)cc1 ZINC000447559817 1124489916 /nfs/dbraw/zinc/48/99/16/1124489916.db2.gz BBEFKQHOIRXOLQ-QGZVFWFLSA-N 0 3 298.361 3.947 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000526001096 1124497572 /nfs/dbraw/zinc/49/75/72/1124497572.db2.gz DXQAOKSPFQDWJY-HNNXBMFYSA-N 0 3 298.336 3.826 20 30 CHEDHN CCc1nc([C@H](C)NC2CCC(C)(C#N)CC2)cs1 ZINC000449159318 1124656964 /nfs/dbraw/zinc/65/69/64/1124656964.db2.gz ZFVXHSFTEWQGGA-BZUNDVKYSA-N 0 3 277.437 3.829 20 30 CHEDHN CC(C)OC1(CN[C@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000872116190 1124687534 /nfs/dbraw/zinc/68/75/34/1124687534.db2.gz OZKHDEKZRZYVQE-CYBMUJFWSA-N 0 3 290.382 3.696 20 30 CHEDHN CCC[C@@H](CC)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000873498360 1124773163 /nfs/dbraw/zinc/77/31/63/1124773163.db2.gz AAAFGARUPJFFHC-VXGBXAGGSA-N 0 3 270.332 3.830 20 30 CHEDHN N#CCCN[C@@H]1CCCC[C@H]1c1ccccc1Cl ZINC000825720132 1124825481 /nfs/dbraw/zinc/82/54/81/1124825481.db2.gz ASMGKEPNSNSIAM-DZGCQCFKSA-N 0 3 262.784 3.869 20 30 CHEDHN CCC[C@H](CC(C)C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123381202 1131313695 /nfs/dbraw/zinc/31/36/95/1131313695.db2.gz HELOHXOCLIGSFF-YPMHNXCESA-N 0 3 294.345 3.998 20 30 CHEDHN CCCCCCCOC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001239312409 1131315054 /nfs/dbraw/zinc/31/50/54/1131315054.db2.gz WOMHEWHWVLYBOK-LBPRGKRZSA-N 0 3 295.383 3.618 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2nccnc2c1 ZINC001137090185 1124891656 /nfs/dbraw/zinc/89/16/56/1124891656.db2.gz VQYYWENZNVEHIN-UHFFFAOYSA-N 0 3 289.382 3.818 20 30 CHEDHN Cc1ccccc1[C@H]1CCCN1CC1(C#N)CCC1 ZINC000450270441 1124966182 /nfs/dbraw/zinc/96/61/82/1124966182.db2.gz RSWFARKJAGVLHK-MRXNPFEDSA-N 0 3 254.377 3.826 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(C#N)cnc1Cl ZINC000876732867 1124973770 /nfs/dbraw/zinc/97/37/70/1124973770.db2.gz IBYCNIIDJBZMON-KYOSRNDESA-N 0 3 289.810 3.760 20 30 CHEDHN C#C[C@@H](N[C@H](C)c1cc2cnccc2o1)C(C)(C)C ZINC000825939492 1125017244 /nfs/dbraw/zinc/01/72/44/1125017244.db2.gz BJHINQQQKKHXTI-IAQYHMDHSA-N 0 3 256.349 3.526 20 30 CHEDHN C=CCN(C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877427461 1125027086 /nfs/dbraw/zinc/02/70/86/1125027086.db2.gz ZSKWWSYRMRILNB-UHFFFAOYSA-N 0 3 276.380 3.651 20 30 CHEDHN C#CCCCCCC[NH2+][C@@H](C)c1nnc([C@@H](C)CC)[n-]1 ZINC000877474864 1125030723 /nfs/dbraw/zinc/03/07/23/1125030723.db2.gz ICZBBNQZRSFYGI-KBPBESRZSA-N 0 3 276.428 3.553 20 30 CHEDHN C#C[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000877541545 1125043074 /nfs/dbraw/zinc/04/30/74/1125043074.db2.gz PXZXLOSQFQDHFR-CABCVRRESA-N 0 3 277.795 3.562 20 30 CHEDHN C#C[C@@H](NC[C@H](C)CCC#N)c1ccc(Cl)cc1 ZINC000877540948 1125043686 /nfs/dbraw/zinc/04/36/86/1125043686.db2.gz IXJDWXJEZWHYLE-IUODEOHRSA-N 0 3 260.768 3.544 20 30 CHEDHN CCCCCCCCCCCCNC(=S)N1CCNC1 ZINC001239460510 1131327803 /nfs/dbraw/zinc/32/78/03/1131327803.db2.gz NYNCAHLKISFXRU-UHFFFAOYSA-N 0 3 299.528 3.645 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1CCC(C)(C)CC1)c1ccccc1 ZINC000878038209 1125114193 /nfs/dbraw/zinc/11/41/93/1125114193.db2.gz CRVYXOSHLVZGDD-LJQANCHMSA-N 0 3 298.430 3.549 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000878088575 1125118574 /nfs/dbraw/zinc/11/85/74/1125118574.db2.gz SNZFBPNMRUZIHF-JTDSTZFVSA-N 0 3 298.430 3.690 20 30 CHEDHN C#CC[C@@H](NCc1cccc2c1CCOC2)c1ccccc1 ZINC000878362761 1125144983 /nfs/dbraw/zinc/14/49/83/1125144983.db2.gz HEJZJISDKIOUOA-HXUWFJFHSA-N 0 3 291.394 3.614 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878885805 1125183397 /nfs/dbraw/zinc/18/33/97/1125183397.db2.gz QTOXHRHSRBKDAG-KBPBESRZSA-N 0 3 274.408 3.778 20 30 CHEDHN C=CCN(CC[C@](C#N)(C(C)=O)c1ccccc1)C(C)(C)C ZINC000878950799 1125187643 /nfs/dbraw/zinc/18/76/43/1125187643.db2.gz ZIGVRUPKNVTMJK-IBGZPJMESA-N 0 3 298.430 3.714 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127482613 1125195601 /nfs/dbraw/zinc/19/56/01/1125195601.db2.gz ZDJOZFDCSPNHRK-RDTXWAMCSA-N 0 3 295.386 3.643 20 30 CHEDHN C=CC(C)(C)CC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000879311193 1125207864 /nfs/dbraw/zinc/20/78/64/1125207864.db2.gz OBRTYHMFFLYDDP-UHFFFAOYSA-N 0 3 274.408 3.597 20 30 CHEDHN C#CC[C@@H](NCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000756996846 1125305940 /nfs/dbraw/zinc/30/59/40/1125305940.db2.gz SHFOOIZHAQKUPT-QGZVFWFLSA-N 0 3 295.382 3.558 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccsc1 ZINC000399267838 1125338887 /nfs/dbraw/zinc/33/88/87/1125338887.db2.gz SNYDDEIBYPJVMH-GFCCVEGCSA-N 0 3 256.374 3.665 20 30 CHEDHN C[C@@H]1c2ccsc2CCN1Cc1ccc(CC#N)cc1 ZINC000399134468 1125339278 /nfs/dbraw/zinc/33/92/78/1125339278.db2.gz PTOXRJIBWUQTOA-CYBMUJFWSA-N 0 3 282.412 3.933 20 30 CHEDHN C[C@H](c1ccco1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000131108369 1125373396 /nfs/dbraw/zinc/37/33/96/1125373396.db2.gz CRYURTNPVREITK-OAHLLOKOSA-N 0 3 297.402 3.822 20 30 CHEDHN C=CCCC[C@H](NCc1cc(C)n[nH]1)c1ccccc1 ZINC000883190894 1125375604 /nfs/dbraw/zinc/37/56/04/1125375604.db2.gz NUNAMGOOVIXIIJ-KRWDZBQOSA-N 0 3 269.392 3.905 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1CCC2(CCC2)O1)c1ccco1 ZINC000883357987 1125401018 /nfs/dbraw/zinc/40/10/18/1125401018.db2.gz YZWWKAKMCSGIAO-GJZGRUSLSA-N 0 3 275.392 3.978 20 30 CHEDHN C=CCC(C)(C)CNCc1nccc(C)c1Br ZINC001202554772 1125423947 /nfs/dbraw/zinc/42/39/47/1125423947.db2.gz RXGZREBKIIRLDK-UHFFFAOYSA-N 0 3 297.240 3.844 20 30 CHEDHN CCc1oc2ccccc2c1CN1CCC(C#N)CC1 ZINC000123707208 1125432202 /nfs/dbraw/zinc/43/22/02/1125432202.db2.gz YOIUFEZPCSPMIG-UHFFFAOYSA-N 0 3 268.360 3.731 20 30 CHEDHN C#Cc1ccc(CN[C@H]2CCCc3c(F)cccc32)cc1 ZINC001202602428 1125440623 /nfs/dbraw/zinc/44/06/23/1125440623.db2.gz BHJIQZFBHUWKEO-IBGZPJMESA-N 0 3 279.358 3.974 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccc(F)cc1F ZINC000348259219 1125447658 /nfs/dbraw/zinc/44/76/58/1125447658.db2.gz DJURXFPCHDPEQY-BXUZGUMPSA-N 0 3 266.335 3.568 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccccc2C)cc1C#N ZINC000087822531 1129194512 /nfs/dbraw/zinc/19/45/12/1129194512.db2.gz CNKAXNWHBKRZNZ-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN Cc1ccc([C@H](C)NCc2ccc(C#N)cc2)s1 ZINC000037748316 1129264485 /nfs/dbraw/zinc/26/44/85/1129264485.db2.gz CGAQXRUWZMAQLB-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000829773270 1129283893 /nfs/dbraw/zinc/28/38/93/1129283893.db2.gz BOHNHNXECQXGBJ-ZDUSSCGKSA-N 0 3 270.401 3.532 20 30 CHEDHN CCCCCCCNCc1c(CC)nn(C)c1Cl ZINC000734842635 1129324222 /nfs/dbraw/zinc/32/42/22/1129324222.db2.gz TZNFONXUSRUKBM-UHFFFAOYSA-N 0 3 271.836 3.696 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1ccsc1 ZINC000739154739 1129401294 /nfs/dbraw/zinc/40/12/94/1129401294.db2.gz DHISFNKTGLSHNY-PWSUYJOCSA-N 0 3 296.351 3.869 20 30 CHEDHN C=CCC[C@@H](C)N[C@@H](CO)c1ccc(Cl)cc1Cl ZINC001258719841 1129547513 /nfs/dbraw/zinc/54/75/13/1129547513.db2.gz KWLOZFULYSSZRT-YGRLFVJLSA-N 0 3 288.218 3.971 20 30 CHEDHN C#CCN(Cc1ccccc1C(F)(F)F)C(C)C ZINC000746148113 1129627720 /nfs/dbraw/zinc/62/77/20/1129627720.db2.gz SNJCRUSATDWWFA-UHFFFAOYSA-N 0 3 255.283 3.549 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](Cc1ccccc1)CC(C)C ZINC001169061324 1129694345 /nfs/dbraw/zinc/69/43/45/1129694345.db2.gz KFZKTQMFTHDYSB-IRXDYDNUSA-N 0 3 258.409 3.926 20 30 CHEDHN C[C@H](N)c1ccn(-c2ccc(C3(C#N)CCCCC3)cc2)n1 ZINC001169232963 1129711381 /nfs/dbraw/zinc/71/13/81/1129711381.db2.gz KWDAJRXWJCAJQJ-AWEZNQCLSA-N 0 3 294.402 3.617 20 30 CHEDHN C=C(C)[C@H](NCCc1ccns1)c1ccc(F)c(F)c1 ZINC001169474656 1129729635 /nfs/dbraw/zinc/72/96/35/1129729635.db2.gz VFJYIHLMZXMAEE-HNNXBMFYSA-N 0 3 294.370 3.871 20 30 CHEDHN CC(C)CC(=O)CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000828639568 1131394933 /nfs/dbraw/zinc/39/49/33/1131394933.db2.gz IMPZFMUAOZSNII-AWEZNQCLSA-N 0 3 272.392 3.556 20 30 CHEDHN C=CCCn1cc(CN(CCC(C)C)C2CCCC2)nn1 ZINC000653521121 1129782861 /nfs/dbraw/zinc/78/28/61/1129782861.db2.gz OXBWMMUZJIDICF-UHFFFAOYSA-N 0 3 290.455 3.645 20 30 CHEDHN C#CC[C@H](NCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000767685250 1129808184 /nfs/dbraw/zinc/80/81/84/1129808184.db2.gz GPQKONSKZGTQNZ-IBGZPJMESA-N 0 3 274.367 3.721 20 30 CHEDHN N#CC(C(=O)C1CC(c2ccc(F)cc2)C1)c1ccccn1 ZINC000796748926 1129825511 /nfs/dbraw/zinc/82/55/11/1129825511.db2.gz SANVAGLTXYNOQP-ZBCRRDGASA-N 0 3 294.329 3.591 20 30 CHEDHN C#CCOc1ccc(CN(CC)Cc2cccs2)cc1 ZINC000768196363 1129842569 /nfs/dbraw/zinc/84/25/69/1129842569.db2.gz BTRXKKGCDAMJIK-UHFFFAOYSA-N 0 3 285.412 3.782 20 30 CHEDHN C[C@@H]1CCC[C@@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000768354311 1129853287 /nfs/dbraw/zinc/85/32/87/1129853287.db2.gz HKDHACNGVAJDSD-ZIAGYGMSSA-N 0 3 268.364 3.605 20 30 CHEDHN C#CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000768549357 1129864960 /nfs/dbraw/zinc/86/49/60/1129864960.db2.gz XWRBRPZPDNBOQX-UHFFFAOYSA-N 0 3 292.766 3.626 20 30 CHEDHN COc1ccc(CN2CCCCCCCC2)c(C#N)c1 ZINC001137705901 1131404184 /nfs/dbraw/zinc/40/41/84/1131404184.db2.gz GDXQKCOZLNNYRW-UHFFFAOYSA-N 0 3 272.392 3.723 20 30 CHEDHN CN(C)c1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000800895886 1129896919 /nfs/dbraw/zinc/89/69/19/1129896919.db2.gz ODHWXXFWDWBIQJ-UHFFFAOYSA-N 0 3 299.805 3.567 20 30 CHEDHN C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccc1[O-] ZINC000800989419 1129903047 /nfs/dbraw/zinc/90/30/47/1129903047.db2.gz CKSSGHIPURWNQC-LLVKDONJSA-N 0 3 286.762 3.768 20 30 CHEDHN C=C1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC000769337886 1129903833 /nfs/dbraw/zinc/90/38/33/1129903833.db2.gz IJKDSDZUNSUZSJ-UHFFFAOYSA-N 0 3 258.409 3.685 20 30 CHEDHN C[C@@H](C#N)OCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000801932090 1129961058 /nfs/dbraw/zinc/96/10/58/1129961058.db2.gz GQGRUYQEWVJFNQ-KSSFIOAISA-N 0 3 297.402 3.624 20 30 CHEDHN C[C@@H](C#N)OCCN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000801938957 1129962284 /nfs/dbraw/zinc/96/22/84/1129962284.db2.gz LRSBVUMCQITXES-XHDPSFHLSA-N 0 3 296.361 3.570 20 30 CHEDHN C=CCC[C@@H](NCc1nccs1)[C@]1(C)CCCCO1 ZINC000902758046 1130052770 /nfs/dbraw/zinc/05/27/70/1130052770.db2.gz CCQYPJXWHDCFAO-HIFRSBDPSA-N 0 3 280.437 3.527 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1cccnc1)c1cccc(C#N)c1 ZINC000902726998 1130046364 /nfs/dbraw/zinc/04/63/64/1130046364.db2.gz WAQPQEZWCNOGBS-SUMWQHHRSA-N 0 3 265.360 3.755 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)c(F)c1)c1cccc(C#N)c1 ZINC000902733133 1130047923 /nfs/dbraw/zinc/04/79/23/1130047923.db2.gz NNQCWCFSMSPTDQ-QGZVFWFLSA-N 0 3 298.361 3.947 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(C(F)(F)F)s1 ZINC000902952415 1130090679 /nfs/dbraw/zinc/09/06/79/1130090679.db2.gz XLTNGUBVGHEFQN-MRVPVSSYSA-N 0 3 262.300 3.721 20 30 CHEDHN CC[C@H](N[C@@H](c1ccccc1)[C@H](C)O)c1cccc(C#N)c1 ZINC000903058361 1130107120 /nfs/dbraw/zinc/10/71/20/1130107120.db2.gz GFWYEVWSILPTSL-ZOCIIQOWSA-N 0 3 294.398 3.721 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CC1(Cl)Cl ZINC000746650537 1130136964 /nfs/dbraw/zinc/13/69/64/1130136964.db2.gz AKKWFQBRQZUGQX-AWEZNQCLSA-N 0 3 297.229 3.962 20 30 CHEDHN CC(C)CN(CCC#N)CCCc1ccc(F)c(F)c1 ZINC001462017333 1130182137 /nfs/dbraw/zinc/18/21/37/1130182137.db2.gz GJMIRBDDBNCDJK-UHFFFAOYSA-N 0 3 280.362 3.769 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H](C)[C@H]1CC ZINC001462124237 1130200258 /nfs/dbraw/zinc/20/02/58/1130200258.db2.gz COLAVNIPNCBIRN-XJKSGUPXSA-N 0 3 291.822 3.972 20 30 CHEDHN CC(C)C(C=Nn1cnnc1-c1ccccc1)C(C)C ZINC000788974510 1130220526 /nfs/dbraw/zinc/22/05/26/1130220526.db2.gz DXTFQGBFQUGXIF-UHFFFAOYSA-N 0 3 270.380 3.707 20 30 CHEDHN C#CCN(Cc1ccccc1)C[C@H](OC)C1CCCCC1 ZINC001170094148 1130221147 /nfs/dbraw/zinc/22/11/47/1130221147.db2.gz GKSKGNBVUBZGFC-IBGZPJMESA-N 0 3 285.431 3.717 20 30 CHEDHN C#CC1CCN(Cc2scc(C)c2Cl)CC1 ZINC001137292687 1130306142 /nfs/dbraw/zinc/30/61/42/1130306142.db2.gz KTUNPAIAULJJLY-UHFFFAOYSA-N 0 3 253.798 3.555 20 30 CHEDHN Clc1cccc(C#CCN2CCC3(CC3)CC2)c1 ZINC000677718345 1130323981 /nfs/dbraw/zinc/32/39/81/1130323981.db2.gz ZURQIAZARVHGAQ-UHFFFAOYSA-N 0 3 259.780 3.568 20 30 CHEDHN C[C@]1(CNC2(c3cccc(C#N)c3)CC2)CC1(Cl)Cl ZINC000828691384 1130431027 /nfs/dbraw/zinc/43/10/27/1130431027.db2.gz BWYVZVMZAFADRK-CYBMUJFWSA-N 0 3 295.213 3.721 20 30 CHEDHN CC1(C)CN(C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170378653 1130489660 /nfs/dbraw/zinc/48/96/60/1130489660.db2.gz HKWXYFJHCUXVMA-UHFFFAOYSA-N 0 3 298.430 3.501 20 30 CHEDHN CCc1ccc([C@@H](C/N=C/c2ccccc2O)N(C)C)cc1 ZINC000005292409 1130552216 /nfs/dbraw/zinc/55/22/16/1130552216.db2.gz BENDTXBPEMNUCP-JZQBQCRLSA-N 0 3 296.414 3.676 20 30 CHEDHN C=CCCCCC[C@@H](C)N[C@H](C)c1nnc2ccccn21 ZINC000793515022 1130560967 /nfs/dbraw/zinc/56/09/67/1130560967.db2.gz HRBSPCPCIMPFQX-HUUCEWRRSA-N 0 3 286.423 3.905 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1ncnn1-c1ccccc1 ZINC000793565520 1130571005 /nfs/dbraw/zinc/57/10/05/1130571005.db2.gz LSBRPYWWVCCPQS-MRXNPFEDSA-N 0 3 298.434 3.882 20 30 CHEDHN C#CCCOc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000811512324 1130618302 /nfs/dbraw/zinc/61/83/02/1130618302.db2.gz LYQSPQNSAGSFDL-AWEZNQCLSA-N 0 3 293.357 3.566 20 30 CHEDHN C#C[C@H](N[C@@H](C)CCc1ccc(O)cc1)c1ccc(F)cc1 ZINC000812793569 1130717264 /nfs/dbraw/zinc/71/72/64/1130717264.db2.gz YTQHSRNPEGMUKP-LIRRHRJNSA-N 0 3 297.373 3.817 20 30 CHEDHN C#C[C@H](NCCCCOc1ccccc1)c1ccc(F)cc1 ZINC000812794142 1130718564 /nfs/dbraw/zinc/71/85/64/1130718564.db2.gz SJSKNBBOHJPJOO-IBGZPJMESA-N 0 3 297.373 3.949 20 30 CHEDHN C#C[C@H](NC[C@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000812793844 1130718748 /nfs/dbraw/zinc/71/87/48/1130718748.db2.gz HIPPLZAZAPHOGS-QRQLOZEOSA-N 0 3 279.358 3.893 20 30 CHEDHN C#C[C@@H](N[C@H](C)Cc1ccsc1)c1ccc(F)cc1 ZINC000812795349 1130719006 /nfs/dbraw/zinc/71/90/06/1130719006.db2.gz RZDVNOGJJGXPMP-MLGOLLRUSA-N 0 3 273.376 3.782 20 30 CHEDHN C[C@@H]1c2ccccc2CCN1Cc1ccccc1CC#N ZINC001235512858 1130749997 /nfs/dbraw/zinc/74/99/97/1130749997.db2.gz WLGUCHRZOASJNM-OAHLLOKOSA-N 0 3 276.383 3.872 20 30 CHEDHN Cc1cccc2c1CCN([C@H](C)c1cccc(C#N)c1)C2 ZINC000782183217 1130758493 /nfs/dbraw/zinc/75/84/93/1130758493.db2.gz IVOBDWXJBHADRR-OAHLLOKOSA-N 0 3 276.383 3.986 20 30 CHEDHN CCCCCCCCN(C)Cc1n[nH]c2cc(N)ccc21 ZINC001235664853 1130763659 /nfs/dbraw/zinc/76/36/59/1130763659.db2.gz YNGLEIDPGZNTPL-UHFFFAOYSA-N 0 3 288.439 3.937 20 30 CHEDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC001235686080 1130767854 /nfs/dbraw/zinc/76/78/54/1130767854.db2.gz XIAHVIRYSHUCGF-AWEZNQCLSA-N 0 3 286.419 3.815 20 30 CHEDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC001235686080 1130767862 /nfs/dbraw/zinc/76/78/62/1130767862.db2.gz XIAHVIRYSHUCGF-AWEZNQCLSA-N 0 3 286.419 3.815 20 30 CHEDHN C#CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782524194 1130781810 /nfs/dbraw/zinc/78/18/10/1130781810.db2.gz QENRUDRSQJSUAK-CQSZACIVSA-N 0 3 260.340 3.509 20 30 CHEDHN C=C(C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000783504778 1130830561 /nfs/dbraw/zinc/83/05/61/1130830561.db2.gz KRRRSSSINVZXPM-CQSZACIVSA-N 0 3 253.345 3.756 20 30 CHEDHN CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1[O-] ZINC000784265445 1130893927 /nfs/dbraw/zinc/89/39/27/1130893927.db2.gz HZECSQAHTVHCEL-KRWDZBQOSA-N 0 3 280.371 3.699 20 30 CHEDHN N#CC(C(=O)C1CC(c2ccc(F)cc2)C1)c1ccccn1 ZINC000796748924 1130928092 /nfs/dbraw/zinc/92/80/92/1130928092.db2.gz SANVAGLTXYNOQP-XUJLQICISA-N 0 3 294.329 3.591 20 30 CHEDHN CCC(=NN[C@@H]1CCCC1(C)C)c1cccc(N)c1 ZINC000814918023 1130942967 /nfs/dbraw/zinc/94/29/67/1130942967.db2.gz YQFLIUJHTSBTPT-OAHLLOKOSA-N 0 3 259.397 3.551 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC000815080248 1130957786 /nfs/dbraw/zinc/95/77/86/1130957786.db2.gz MXRUKTQKJZESBW-DOMZBBRYSA-N 0 3 287.794 3.516 20 30 CHEDHN C=CCCCCCCCCN1CCNC[C@@H]1C(F)(F)F ZINC001236974877 1131032815 /nfs/dbraw/zinc/03/28/15/1131032815.db2.gz GKYIOWBYNZGURM-CQSZACIVSA-N 0 3 292.389 3.739 20 30 CHEDHN C=CCN(CC=C)Cc1cc(O)cc2ccccc21 ZINC001237074726 1131045174 /nfs/dbraw/zinc/04/51/74/1131045174.db2.gz SHOQUGJPRYEUKD-UHFFFAOYSA-N 0 3 253.345 3.719 20 30 CHEDHN CCc1cccc(C)c1CN1CCc2ccc(C#N)cc2C1 ZINC001237324280 1131083970 /nfs/dbraw/zinc/08/39/70/1131083970.db2.gz MNIGLDCFMGGJMR-UHFFFAOYSA-N 0 3 290.410 3.987 20 30 CHEDHN CCCCCCCN(CC)Cc1cn2cc(C#N)ccc2n1 ZINC001237613435 1131119089 /nfs/dbraw/zinc/11/90/89/1131119089.db2.gz IYXGFTPVPQOHAA-UHFFFAOYSA-N 0 3 298.434 3.998 20 30 CHEDHN CC[C@@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237751087 1131137505 /nfs/dbraw/zinc/13/75/05/1131137505.db2.gz GCDYYXGSKIUMLF-OAHLLOKOSA-N 0 3 262.784 3.976 20 30 CHEDHN C[C@H]1C[C@H](C)CN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238191250 1131177750 /nfs/dbraw/zinc/17/77/50/1131177750.db2.gz KOFLSJKBFGMXAV-RYUDHWBXSA-N 0 3 262.784 3.690 20 30 CHEDHN N#Cc1cc(CN2CCC[C@H]3CCC[C@@H]32)ccc1Cl ZINC001238190454 1131178363 /nfs/dbraw/zinc/17/83/63/1131178363.db2.gz CTSCNWFMIBCVKQ-CJNGLKHVSA-N 0 3 274.795 3.976 20 30 CHEDHN C=CCO[C@@H]1CCN(Cc2cc3ccccc3cc2OC)C1 ZINC001117744864 1131196116 /nfs/dbraw/zinc/19/61/16/1131196116.db2.gz ZAWGVOZCLIRQGD-GOSISDBHSA-N 0 3 297.398 3.625 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238510711 1131210394 /nfs/dbraw/zinc/21/03/94/1131210394.db2.gz FOWHZRAMJJWYAK-CYBMUJFWSA-N 0 3 257.352 3.548 20 30 CHEDHN C=C(Br)CNC[C@H](C)c1cc(F)cc(F)c1 ZINC000823818583 1131442458 /nfs/dbraw/zinc/44/24/58/1131442458.db2.gz ITYQPXZSTOGACD-QMMMGPOBSA-N 0 3 290.151 3.567 20 30 CHEDHN CCCCCCC[C@H](C)[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000824602972 1131476171 /nfs/dbraw/zinc/47/61/71/1131476171.db2.gz JWCXPSZVTLWZDG-LBPRGKRZSA-N 0 3 264.417 3.521 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc(OC)nc1 ZINC001137036540 1131512016 /nfs/dbraw/zinc/51/20/16/1131512016.db2.gz UUKGGZKWYFGKLM-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN C#CCOc1ccc(CN2CCc3ccccc3[C@H]2C)cc1 ZINC001138556109 1131520459 /nfs/dbraw/zinc/52/04/59/1131520459.db2.gz GGCMGACXGVAQJK-MRXNPFEDSA-N 0 3 291.394 3.818 20 30 CHEDHN C=CCc1cccc(CN2Cc3ccccc3C2)c1O ZINC001138623918 1131528173 /nfs/dbraw/zinc/52/81/73/1131528173.db2.gz KHLIGIDOLSFRCY-UHFFFAOYSA-N 0 3 265.356 3.637 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1[O-] ZINC001138628669 1131529084 /nfs/dbraw/zinc/52/90/84/1131529084.db2.gz BSQUITZSQWZIFT-KRWDZBQOSA-N 0 3 294.398 3.505 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1[O-] ZINC001138628669 1131529087 /nfs/dbraw/zinc/52/90/87/1131529087.db2.gz BSQUITZSQWZIFT-KRWDZBQOSA-N 0 3 294.398 3.505 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1[O-] ZINC001138628680 1131529462 /nfs/dbraw/zinc/52/94/62/1131529462.db2.gz ZLPALQUIWWOXMB-ZIAGYGMSSA-N 0 3 259.393 3.741 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1[O-] ZINC001138628680 1131529464 /nfs/dbraw/zinc/52/94/64/1131529464.db2.gz ZLPALQUIWWOXMB-ZIAGYGMSSA-N 0 3 259.393 3.741 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCCC[C@@H]1COC ZINC001138661561 1131534521 /nfs/dbraw/zinc/53/45/21/1131534521.db2.gz CKJLNFSQBBEHDW-QGZVFWFLSA-N 0 3 289.419 3.642 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCCO2 ZINC001138714723 1131540378 /nfs/dbraw/zinc/54/03/78/1131540378.db2.gz CLSLXEFOJFLJNK-UHFFFAOYSA-N 0 3 292.382 3.515 20 30 CHEDHN C=CCN(C)Cc1cc2cc(Br)ccc2[nH]1 ZINC001139185282 1131592914 /nfs/dbraw/zinc/59/29/14/1131592914.db2.gz QMCVEHMEZSVLMQ-UHFFFAOYSA-N 0 3 279.181 3.548 20 30 CHEDHN Cc1cccc2[nH]cc(CN3CCC(C)(C#N)CC3)c21 ZINC001139196682 1131594971 /nfs/dbraw/zinc/59/49/71/1131594971.db2.gz QSBBUPFGZZTBCP-UHFFFAOYSA-N 0 3 267.376 3.602 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139519868 1131612934 /nfs/dbraw/zinc/61/29/34/1131612934.db2.gz YKFOBCDOVNINAU-INIZCTEOSA-N 0 3 276.383 3.594 20 30 CHEDHN CCCCCCC[C@H](C)N1CC[C@](N)(C(F)(F)F)C1 ZINC001246564911 1131627930 /nfs/dbraw/zinc/62/79/30/1131627930.db2.gz ADCODTJUAVQFPK-QWHCGFSZSA-N 0 3 280.378 3.701 20 30 CHEDHN Cc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1C#N ZINC001139727033 1131632158 /nfs/dbraw/zinc/63/21/58/1131632158.db2.gz GHOSVFVODNITQM-UHFFFAOYSA-N 0 3 293.414 3.565 20 30 CHEDHN Cc1ccc(CN2CC[C@H](C)C(F)(F)CC2)cc1C#N ZINC001139722940 1131632720 /nfs/dbraw/zinc/63/27/20/1131632720.db2.gz LNHVGMDEHPUGLD-ZDUSSCGKSA-N 0 3 278.346 3.734 20 30 CHEDHN C[C@@H]1CN(Cc2c[nH]c3ccc(C#N)cc23)CCC1(F)F ZINC001140110960 1131665961 /nfs/dbraw/zinc/66/59/61/1131665961.db2.gz VWZBPSCLKNETOR-LLVKDONJSA-N 0 3 289.329 3.517 20 30 CHEDHN C[C@H](CSC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846010304 1131677714 /nfs/dbraw/zinc/67/77/14/1131677714.db2.gz JMOMSDPUETVAJY-GFCCVEGCSA-N 0 3 254.443 3.580 20 30 CHEDHN C=CC[C@H](N[C@@H](CC)c1ccncc1)c1ccncc1 ZINC000834589630 1131685780 /nfs/dbraw/zinc/68/57/80/1131685780.db2.gz MIONSUPULVVEJR-IRXDYDNUSA-N 0 3 267.376 3.835 20 30 CHEDHN C#CCCCCN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000834680598 1131693592 /nfs/dbraw/zinc/69/35/92/1131693592.db2.gz BUZTUGJNJNLCQY-OAHLLOKOSA-N 0 3 281.403 3.541 20 30 CHEDHN C=CCCCCCCCCC(=O)N1CCN2CCC1CC2 ZINC001144798062 1131708073 /nfs/dbraw/zinc/70/80/73/1131708073.db2.gz ZMPXWILVYZZDST-UHFFFAOYSA-N 0 3 292.467 3.600 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2c(F)cccc2C1 ZINC001171228601 1131711470 /nfs/dbraw/zinc/71/14/70/1131711470.db2.gz HDKYUWRQDCTPSZ-AWEZNQCLSA-N 0 3 294.373 3.687 20 30 CHEDHN Cc1cc(C#N)ccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000846745211 1131726459 /nfs/dbraw/zinc/72/64/59/1131726459.db2.gz FKCHKWHNGCHBIC-QGZVFWFLSA-N 0 3 295.386 3.709 20 30 CHEDHN Cc1cc(C#N)ccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000846745209 1131726815 /nfs/dbraw/zinc/72/68/15/1131726815.db2.gz FKCHKWHNGCHBIC-KRWDZBQOSA-N 0 3 295.386 3.709 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCCOc3cc(C)ccc32)c1 ZINC000834902937 1131727252 /nfs/dbraw/zinc/72/72/52/1131727252.db2.gz LOGWUAYXQGUNDH-IBGZPJMESA-N 0 3 291.394 3.980 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2ccc(OCC)cc2)c1 ZINC000834904325 1131727692 /nfs/dbraw/zinc/72/76/92/1131727692.db2.gz WTYOKQPYBWYWIK-OAHLLOKOSA-N 0 3 279.383 3.917 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2ccccc2N(C)C)c1 ZINC000834903977 1131727954 /nfs/dbraw/zinc/72/79/54/1131727954.db2.gz ULCKPYHYOQULRF-OAHLLOKOSA-N 0 3 278.399 3.585 20 30 CHEDHN C#Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000834903997 1131728895 /nfs/dbraw/zinc/72/88/95/1131728895.db2.gz UQDQLFWANSVLDV-MLGOLLRUSA-N 0 3 295.357 3.851 20 30 CHEDHN C[C@@H](NN=C1CCCc2cc(N)ccc21)c1ccccc1 ZINC000834943497 1131738998 /nfs/dbraw/zinc/73/89/98/1131738998.db2.gz BVWXGHXXWIRXNU-CYBMUJFWSA-N 0 3 279.387 3.660 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140544101 1131786961 /nfs/dbraw/zinc/78/69/61/1131786961.db2.gz XWXVBYNJALOYFN-UHFFFAOYSA-N 0 3 277.371 3.532 20 30 CHEDHN CC(C)(C)c1cc(Nc2cnc(C#N)c(F)c2)ccn1 ZINC001203049629 1131809951 /nfs/dbraw/zinc/80/99/51/1131809951.db2.gz SCMIOQOJFNUSPY-UHFFFAOYSA-N 0 3 270.311 3.528 20 30 CHEDHN CC(C)N(Cc1cc(C#N)ccc1Cl)C(C)C ZINC001140599881 1131820371 /nfs/dbraw/zinc/82/03/71/1131820371.db2.gz VGIWUNVMGCSZEH-UHFFFAOYSA-N 0 3 250.773 3.830 20 30 CHEDHN C[C@@H](CS)Oc1ccc2ccccc2c1CN(C)C ZINC001228440443 1131884772 /nfs/dbraw/zinc/88/47/72/1131884772.db2.gz DGJDHRZXUQQJHT-LBPRGKRZSA-N 0 3 275.417 3.599 20 30 CHEDHN C=CCN(Cc1cc(F)c(C#N)c(F)c1)C(C)(C)C ZINC001140756316 1131908456 /nfs/dbraw/zinc/90/84/56/1131908456.db2.gz JXNHDBJQJBVVQB-UHFFFAOYSA-N 0 3 264.319 3.623 20 30 CHEDHN C#CC[C@H]1CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001171490483 1132038522 /nfs/dbraw/zinc/03/85/22/1132038522.db2.gz OUYBSKBHEIHDIB-STQMWFEESA-N 0 3 263.331 3.761 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(C(F)(F)F)nc1C ZINC001141432718 1132125548 /nfs/dbraw/zinc/12/55/48/1132125548.db2.gz JDZKHJPJZRMZMS-UHFFFAOYSA-N 0 3 272.314 3.807 20 30 CHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@H]1c1nccs1 ZINC001172319257 1132158881 /nfs/dbraw/zinc/15/88/81/1132158881.db2.gz LWBXRPKLYWCHCC-BBRMVZONSA-N 0 3 297.427 3.783 20 30 CHEDHN Cc1nc([C@@H](C)N[C@@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172295178 1132165925 /nfs/dbraw/zinc/16/59/25/1132165925.db2.gz PUCOYWQMSQXDFW-NWDGAFQWSA-N 0 3 285.416 3.605 20 30 CHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1c(F)cccc1F ZINC001172293282 1132166328 /nfs/dbraw/zinc/16/63/28/1132166328.db2.gz UMUTUZBWIUNQAV-GFCCVEGCSA-N 0 3 286.325 3.557 20 30 CHEDHN CCCCCCC[C@@H](CC)N1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172355544 1132183854 /nfs/dbraw/zinc/18/38/54/1132183854.db2.gz CIHCWDLCBYJNQH-PMPSAXMXSA-N 0 3 291.426 3.870 20 30 CHEDHN CCCCCCC[C@H](CC)NCc1cc2n(n1)CCCO2 ZINC001172355824 1132184223 /nfs/dbraw/zinc/18/42/23/1132184223.db2.gz DQMIYGHGBAEOIS-HNNXBMFYSA-N 0 3 293.455 3.894 20 30 CHEDHN CCCCCC[C@@H](CCC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172387541 1132212536 /nfs/dbraw/zinc/21/25/36/1132212536.db2.gz LNQAJNPETFDULX-ZNMIVQPWSA-N 0 3 286.460 3.635 20 30 CHEDHN C[C@@H](CCCC#N)NCc1nccc(Cl)c1Cl ZINC001172486316 1132230704 /nfs/dbraw/zinc/23/07/04/1132230704.db2.gz BCHKPYVBLUWVLF-VIFPVBQESA-N 0 3 272.179 3.560 20 30 CHEDHN CCCCCCCC[C@@H](CC)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001172502472 1132251612 /nfs/dbraw/zinc/25/16/12/1132251612.db2.gz PUXVRWOQHHQFHI-IXDOHACOSA-N 0 3 295.467 3.663 20 30 CHEDHN CCCCCCC[C@@H](CCC)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001172511527 1132258537 /nfs/dbraw/zinc/25/85/37/1132258537.db2.gz SFWXTMTXQDGNOZ-IXDOHACOSA-N 0 3 295.467 3.663 20 30 CHEDHN CCCCCCCN(CC)Cc1ccc(Cl)nn1 ZINC001142071046 1132311293 /nfs/dbraw/zinc/31/12/93/1132311293.db2.gz QJVNBEDHEVASAI-UHFFFAOYSA-N 0 3 269.820 3.922 20 30 CHEDHN C[C@@H](CC#N)NC1CCC(Cc2ccccc2)CC1 ZINC001172820881 1132317608 /nfs/dbraw/zinc/31/76/08/1132317608.db2.gz MVJGASCMPBWKTD-OOHWJJMZSA-N 0 3 256.393 3.680 20 30 CHEDHN C=CCOc1cccc(CN2CC3(C2)CCCC3)c1 ZINC001231621433 1132328183 /nfs/dbraw/zinc/32/81/83/1132328183.db2.gz ARSYULBLTAAXTM-UHFFFAOYSA-N 0 3 257.377 3.627 20 30 CHEDHN C=CCCCCCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000841332444 1132352611 /nfs/dbraw/zinc/35/26/11/1132352611.db2.gz PXNJQOLHWASZPR-UHFFFAOYSA-N 0 3 287.407 3.548 20 30 CHEDHN C#CC1CCN(Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001231873050 1132384477 /nfs/dbraw/zinc/38/44/77/1132384477.db2.gz WUYDCFXOPDBTRC-UHFFFAOYSA-N 0 3 298.430 3.638 20 30 CHEDHN CC(C)c1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001231873867 1132387757 /nfs/dbraw/zinc/38/77/57/1132387757.db2.gz HXLQSSUQPYKOTI-MRXNPFEDSA-N 0 3 287.428 3.584 20 30 CHEDHN COCC[C@H]1CCCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232117528 1132425075 /nfs/dbraw/zinc/42/50/75/1132425075.db2.gz BXLKZMIKKMRUCI-OAHLLOKOSA-N 0 3 292.810 3.603 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)c(Cl)c2)C2(CC2)C1 ZINC001232117007 1132425735 /nfs/dbraw/zinc/42/57/35/1132425735.db2.gz TZARJTZOAUYCHE-LLVKDONJSA-N 0 3 260.768 3.586 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cccc(COC)n1 ZINC001232255496 1132444500 /nfs/dbraw/zinc/44/45/00/1132444500.db2.gz IFJBKKPVTVYZLS-UHFFFAOYSA-N 0 3 296.414 3.806 20 30 CHEDHN C#CCOc1ccc(CNC2(c3ccccc3C)CC2)cc1 ZINC000842732244 1132454551 /nfs/dbraw/zinc/45/45/51/1132454551.db2.gz JZPWJUZHBIKAIC-UHFFFAOYSA-N 0 3 291.394 3.786 20 30 CHEDHN N#CCC1CCC(NCc2c(F)cccc2F)CC1 ZINC001173325035 1132461440 /nfs/dbraw/zinc/46/14/40/1132461440.db2.gz ZJBWDSXEUFPITI-UHFFFAOYSA-N 0 3 264.319 3.527 20 30 CHEDHN Cc1ccc(OC(C)C)c(CN2CCC(CC#N)CC2)c1 ZINC001232397057 1132466027 /nfs/dbraw/zinc/46/60/27/1132466027.db2.gz IWRRUPTWPZMSGC-UHFFFAOYSA-N 0 3 286.419 3.908 20 30 CHEDHN Cc1ccn2cc(CN(C)C3CCC(CC#N)CC3)nc2c1 ZINC001173337813 1132466416 /nfs/dbraw/zinc/46/64/16/1132466416.db2.gz BJGQQHLUNBHYGS-UHFFFAOYSA-N 0 3 296.418 3.547 20 30 CHEDHN CC(C)C[C@@H](NCc1ccc(C#N)cc1)c1ccncc1 ZINC000842828881 1132466639 /nfs/dbraw/zinc/46/66/39/1132466639.db2.gz KNOIKJPZTYFIJV-GOSISDBHSA-N 0 3 279.387 3.830 20 30 CHEDHN CC(C)CN(Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232474590 1132476421 /nfs/dbraw/zinc/47/64/21/1132476421.db2.gz GOXASQHRXOGUOZ-UHFFFAOYSA-N 0 3 279.387 3.611 20 30 CHEDHN CCCCCCCN(C)Cc1cc(OCC)ccn1 ZINC001232582341 1132490206 /nfs/dbraw/zinc/49/02/06/1132490206.db2.gz ZWPJHBUZNSEJDT-UHFFFAOYSA-N 0 3 264.413 3.883 20 30 CHEDHN CC1(C#N)CCC(N2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001173594319 1132498597 /nfs/dbraw/zinc/49/85/97/1132498597.db2.gz YYWQHNBVGZWJQN-OTTFEQOBSA-N 0 3 274.330 3.528 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(Br)c(C)n1 ZINC001232670029 1132503041 /nfs/dbraw/zinc/50/30/41/1132503041.db2.gz YJIDARXXQYBERW-UHFFFAOYSA-N 0 3 297.240 3.941 20 30 CHEDHN CN(CC/C=C/c1cccnc1)Cc1ccc(C#N)s1 ZINC001232846266 1132528338 /nfs/dbraw/zinc/52/83/38/1132528338.db2.gz DGBFIVSBNIKETP-GORDUTHDSA-N 0 3 283.400 3.550 20 30 CHEDHN Cc1ccc(CN2CCC3(CCC3)CC2)c(C#N)c1 ZINC001232963871 1132550830 /nfs/dbraw/zinc/55/08/30/1132550830.db2.gz NNZOCIKMUMXYDU-UHFFFAOYSA-N 0 3 254.377 3.633 20 30 CHEDHN Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c(C#N)c1 ZINC001232967499 1132553459 /nfs/dbraw/zinc/55/34/59/1132553459.db2.gz ODFWKNHOUWBFFP-QGZVFWFLSA-N 0 3 294.373 3.995 20 30 CHEDHN C=CCCC(C)(C)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001150961511 1132563257 /nfs/dbraw/zinc/56/32/57/1132563257.db2.gz WHLVBJKWXOJLCE-INIZCTEOSA-N 0 3 294.483 3.606 20 30 CHEDHN C[C@@H]1CCCCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100213 1132571676 /nfs/dbraw/zinc/57/16/76/1132571676.db2.gz BUALMTHVRVKKOV-CYBMUJFWSA-N 0 3 289.398 3.528 20 30 CHEDHN CN(C)Cc1ccccc1Nc1ccc(CC#N)cc1 ZINC001173930425 1132642358 /nfs/dbraw/zinc/64/23/58/1132642358.db2.gz XBFCLBIBXYKNHC-UHFFFAOYSA-N 0 3 265.360 3.558 20 30 CHEDHN CC1(C)CCC(=Nc2sc3c(c2C#N)CCNC3)CC1 ZINC001159159639 1132813120 /nfs/dbraw/zinc/81/31/20/1132813120.db2.gz MBGAIGLUPLJVOK-UHFFFAOYSA-N 0 3 287.432 3.771 20 30 CHEDHN Oc1cccc(CN2CCC(C#Cc3ccccc3)CC2)c1 ZINC001203866837 1133377259 /nfs/dbraw/zinc/37/72/59/1133377259.db2.gz BVGNCIVLDDGJMY-UHFFFAOYSA-N 0 3 291.394 3.656 20 30 CHEDHN N#Cc1ccc(CN2CCC(c3cccs3)CC2)cc1 ZINC001203903702 1133382871 /nfs/dbraw/zinc/38/28/71/1133382871.db2.gz MJXPMTVRNVOVHJ-UHFFFAOYSA-N 0 3 282.412 3.999 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1)Cc1cccc(OC)c1 ZINC001203904939 1133383509 /nfs/dbraw/zinc/38/35/09/1133383509.db2.gz KOSXIERFCRKNIN-UHFFFAOYSA-N 0 3 280.371 3.589 20 30 CHEDHN C=CCOc1ccc(CN2CCCC[C@](C)(F)C2)cc1 ZINC001204297096 1133430859 /nfs/dbraw/zinc/43/08/59/1133430859.db2.gz APINWJAQOHJLMB-KRWDZBQOSA-N 0 3 277.383 3.966 20 30 CHEDHN C=CCOc1ccc(CN2CCC(C)(F)CC2)cc1 ZINC001204297721 1133431081 /nfs/dbraw/zinc/43/10/81/1133431081.db2.gz OPVYMZBZGWYKEK-UHFFFAOYSA-N 0 3 263.356 3.575 20 30 CHEDHN C=CCN(Cc1cc(F)c(F)c(F)c1)C(C)(C)C ZINC001204531614 1133459763 /nfs/dbraw/zinc/45/97/63/1133459763.db2.gz YQWKHHTWTDZGGX-UHFFFAOYSA-N 0 3 257.299 3.890 20 30 CHEDHN C#CCN(CCc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC001204490046 1133453743 /nfs/dbraw/zinc/45/37/43/1133453743.db2.gz ZTJCNLLYUBWXPB-UHFFFAOYSA-N 0 3 285.337 3.643 20 30 CHEDHN CCCN(Cc1cccc(C#N)n1)[C@@H]1CCc2ccccc21 ZINC001204803258 1133487782 /nfs/dbraw/zinc/48/77/82/1133487782.db2.gz KIAUYRLUSFEKBA-LJQANCHMSA-N 0 3 291.398 3.853 20 30 CHEDHN CCN(C[C@H](C)C#N)CC1CCC(C(C)C)CC1 ZINC001204827343 1133490702 /nfs/dbraw/zinc/49/07/02/1133490702.db2.gz TZLAXTQBLPCZRX-QQFBHYJXSA-N 0 3 250.430 3.930 20 30 CHEDHN C=CCN(Cc1cccs1)Cc1ccc(C)cc1O ZINC001205162453 1133538882 /nfs/dbraw/zinc/53/88/82/1133538882.db2.gz OLSNZRPCSZFMAE-UHFFFAOYSA-N 0 3 273.401 3.950 20 30 CHEDHN C#C[C@H](NC1CCC2(CSC2)CC1)c1ccc(F)cc1 ZINC001205980558 1133637982 /nfs/dbraw/zinc/63/79/82/1133637982.db2.gz OWGNNANETRXGCD-INIZCTEOSA-N 0 3 289.419 3.765 20 30 CHEDHN C#C[C@@H](NCc1cn(CC)nc1-c1ccccc1)C(C)(C)C ZINC001206077615 1133654030 /nfs/dbraw/zinc/65/40/30/1133654030.db2.gz LODZVPIAOCTOLO-QGZVFWFLSA-N 0 3 295.430 3.708 20 30 CHEDHN Clc1ccc2c(c1)CC[C@H]2NCC#Cc1ccccc1 ZINC001207110530 1133768541 /nfs/dbraw/zinc/76/85/41/1133768541.db2.gz IHVKAMZPHBXLEV-GOSISDBHSA-N 0 3 281.786 3.969 20 30 CHEDHN CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(C)c(C)c1 ZINC001207110839 1133768955 /nfs/dbraw/zinc/76/89/55/1133768955.db2.gz URSSNVOYVKDPND-UHFFFAOYSA-N 0 3 281.403 3.536 20 30 CHEDHN C=CCCCCCCCCCN1CCN(CCOC)CC1 ZINC001207899071 1133859822 /nfs/dbraw/zinc/85/98/22/1133859822.db2.gz LGWJNVGGLMIDSU-UHFFFAOYSA-N 0 3 296.499 3.557 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(CCCc1ccc(F)cc1)C2 ZINC001208766370 1133941447 /nfs/dbraw/zinc/94/14/47/1133941447.db2.gz DSJULGHHRMRRCR-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN N#C[C@@H]1CCCN(CCCc2ccccc2Cl)CC1 ZINC001208872168 1133956234 /nfs/dbraw/zinc/95/62/34/1133956234.db2.gz WBSNITRJDIYCNE-CQSZACIVSA-N 0 3 276.811 3.898 20 30 CHEDHN CN1CC=C(Nc2ccccc2C#Cc2ccccc2)CC1 ZINC001208909921 1133962424 /nfs/dbraw/zinc/96/24/24/1133962424.db2.gz JFGYPFYQZHRVRK-UHFFFAOYSA-N 0 3 288.394 3.718 20 30 CHEDHN C=CCN(CC=C)CCc1cccc(C(F)(F)F)c1 ZINC001209117173 1133978112 /nfs/dbraw/zinc/97/81/12/1133978112.db2.gz CJEXILPHIIUOOC-UHFFFAOYSA-N 0 3 269.310 3.922 20 30 CHEDHN C=CCCCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC001209205242 1133987237 /nfs/dbraw/zinc/98/72/37/1133987237.db2.gz QWDNEXMXLDEYAM-UHFFFAOYSA-N 0 3 281.403 3.587 20 30 CHEDHN C=CCCCCCCCN1CCOC[C@H]1C1CC1 ZINC001209441304 1134023172 /nfs/dbraw/zinc/02/31/72/1134023172.db2.gz GZVPOFPLKDWMOV-INIZCTEOSA-N 0 3 251.414 3.624 20 30 CHEDHN CC[NH+](CC)Cc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001209824222 1134071785 /nfs/dbraw/zinc/07/17/85/1134071785.db2.gz QEXIBZVNPSPBJV-UHFFFAOYSA-N 0 3 295.386 3.849 20 30 CHEDHN Cc1nc2ccc(Nc3ccc(C#N)c(F)c3)cc2[nH]1 ZINC001213074503 1134421112 /nfs/dbraw/zinc/42/11/12/1134421112.db2.gz XYXZSRXOQANJOE-UHFFFAOYSA-N 0 3 266.279 3.626 20 30 CHEDHN Cc1nc2ccc(Nc3cc(F)cc(F)c3C#N)cc2[nH]1 ZINC001213076208 1134423804 /nfs/dbraw/zinc/42/38/04/1134423804.db2.gz LETSXZZGFYYPRS-UHFFFAOYSA-N 0 3 284.269 3.765 20 30 CHEDHN CN1CCc2ccc(Nc3cccc(Cl)c3C#N)cc2C1 ZINC001216128738 1134787682 /nfs/dbraw/zinc/78/76/82/1134787682.db2.gz PIIFTKQSNKNCKV-UHFFFAOYSA-N 0 3 297.789 3.943 20 30 CHEDHN C=C[C@H](CCCCCCC)OC[C@H]1COC(C)(C)N1 ZINC001217884482 1135016747 /nfs/dbraw/zinc/01/67/47/1135016747.db2.gz OAZUFHANLGEOCU-LSDHHAIUSA-N 0 3 269.429 3.643 20 30 CHEDHN C=CCCCCCCO[C@@H]1CNCc2ccccc21 ZINC001217940833 1135028239 /nfs/dbraw/zinc/02/82/39/1135028239.db2.gz LIMMMKKPCHFEIZ-QGZVFWFLSA-N 0 3 259.393 3.984 20 30 CHEDHN C=C[C@@H](Oc1cccc2c1CNC2)c1ccccc1 ZINC001218440247 1135105794 /nfs/dbraw/zinc/10/57/94/1135105794.db2.gz GHOMLCCKUPOJCL-MRXNPFEDSA-N 0 3 251.329 3.596 20 30 CHEDHN C=C[C@H](Oc1cccc2c1CNC2)c1ccccc1 ZINC001218440246 1135106346 /nfs/dbraw/zinc/10/63/46/1135106346.db2.gz GHOMLCCKUPOJCL-INIZCTEOSA-N 0 3 251.329 3.596 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)s1 ZINC000309838652 1135117885 /nfs/dbraw/zinc/11/78/85/1135117885.db2.gz BZAHBMZNMBKTHN-BBBLOLIVSA-N 0 3 254.786 3.744 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2cc[nH]c2c1 ZINC001218941558 1135123180 /nfs/dbraw/zinc/12/31/80/1135123180.db2.gz BTBPPWQIXQRKRB-HNNXBMFYSA-N 0 3 285.391 3.570 20 30 CHEDHN N#C[C@@H](O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001223714930 1135375098 /nfs/dbraw/zinc/37/50/98/1135375098.db2.gz RMYHSWIMJGMBNN-RBUKOAKNSA-N 0 3 292.382 3.542 20 30 CHEDHN C[NH+](C)CC[C@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001226114703 1135664070 /nfs/dbraw/zinc/66/40/70/1135664070.db2.gz PIXARZKZPWXOBH-OGBKAESYSA-N 0 3 298.386 3.567 20 30 CHEDHN CCc1cnccc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000344309416 529678712 /nfs/dbraw/zinc/67/87/12/529678712.db2.gz ZFJOCQJDTSVYFH-ZIAGYGMSSA-N 0 3 279.387 3.927 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OC)c(OCC(C)C)c1 ZINC000497141491 260293450 /nfs/dbraw/zinc/29/34/50/260293450.db2.gz DXCGSGCLLUZCDO-UHFFFAOYSA-N 0 3 277.408 3.738 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1ccncc1OC ZINC000449267760 260334004 /nfs/dbraw/zinc/33/40/04/260334004.db2.gz BGTLGVLCXAJUKW-KGLIPLIRSA-N 0 3 262.397 3.876 20 30 CHEDHN CCC1(CC)CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000574750243 335044292 /nfs/dbraw/zinc/04/42/92/335044292.db2.gz LMJZOHHSPFNINU-AWEZNQCLSA-N 0 3 261.413 3.769 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000186708219 260008705 /nfs/dbraw/zinc/00/87/05/260008705.db2.gz VODMDSSOXMYEOL-ZFWWWQNUSA-N 0 3 271.360 3.534 20 30 CHEDHN C[C@@H](CCN1CCC(C)(C#N)CC1)OCc1ccccc1 ZINC000355284738 533581054 /nfs/dbraw/zinc/58/10/54/533581054.db2.gz UFUOXASOQFPPTL-INIZCTEOSA-N 0 3 286.419 3.607 20 30 CHEDHN CC(C#N)C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000334961470 225377243 /nfs/dbraw/zinc/37/72/43/225377243.db2.gz GVWGUXWVVWMREE-AWEZNQCLSA-N 0 3 290.366 3.615 20 30 CHEDHN Cc1cc(CN2C[C@@H](C)C[C@H]2c2cccnc2)ccc1C#N ZINC000347218036 226089659 /nfs/dbraw/zinc/08/96/59/226089659.db2.gz HPIAXWPTXIBXBQ-LIRRHRJNSA-N 0 3 291.398 3.845 20 30 CHEDHN Cc1ncccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353914795 226393641 /nfs/dbraw/zinc/39/36/41/226393641.db2.gz LSSTUIZXQUIEHI-GOSISDBHSA-N 0 3 279.387 3.915 20 30 CHEDHN Cc1ncccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353914803 226394204 /nfs/dbraw/zinc/39/42/04/226394204.db2.gz LSSTUIZXQUIEHI-SFHVURJKSA-N 0 3 279.387 3.915 20 30 CHEDHN N#C[C@H]1CC[C@@H](N2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000336630916 227222177 /nfs/dbraw/zinc/22/21/77/227222177.db2.gz QTTYNQBWYYMNCS-SUMWQHHRSA-N 0 3 270.351 3.607 20 30 CHEDHN N#CC(CCc1ccccc1)C(=O)NC1CCCCCC1 ZINC000331498428 228108223 /nfs/dbraw/zinc/10/82/23/228108223.db2.gz SAECZAPMKFSDFT-MRXNPFEDSA-N 0 3 284.403 3.598 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccnc1 ZINC000336083084 228186033 /nfs/dbraw/zinc/18/60/33/228186033.db2.gz HDLUFFVQAOIVCF-GOSISDBHSA-N 0 3 277.371 3.511 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccnc1 ZINC000336083085 228186037 /nfs/dbraw/zinc/18/60/37/228186037.db2.gz HDLUFFVQAOIVCF-SFHVURJKSA-N 0 3 277.371 3.511 20 30 CHEDHN CC(C#N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000336130727 228193302 /nfs/dbraw/zinc/19/33/02/228193302.db2.gz XDKXYVRKNMCARD-RKDXNWHRSA-N 0 3 297.185 3.599 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)[C@H](C)C2 ZINC000180083125 260092337 /nfs/dbraw/zinc/09/23/37/260092337.db2.gz MOHWBLYWOPNZNZ-AUUYWEPGSA-N 0 3 276.383 3.890 20 30 CHEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)[C@H](C)C2 ZINC000180145809 260094719 /nfs/dbraw/zinc/09/47/19/260094719.db2.gz FXCHZGXAWLHKIK-KUHUBIRLSA-N 0 3 276.383 3.890 20 30 CHEDHN C=CCCc1noc([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000297416604 260126586 /nfs/dbraw/zinc/12/65/86/260126586.db2.gz UKNDAZUZWDHEAP-INIZCTEOSA-N 0 3 297.402 3.568 20 30 CHEDHN C=CC(C)(C)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000297887520 260137029 /nfs/dbraw/zinc/13/70/29/260137029.db2.gz RVZABICWZQFXNA-UHFFFAOYSA-N 0 3 286.419 3.742 20 30 CHEDHN COc1ccc(CN(CCC(C)(C)C#N)C2CC2)cc1 ZINC000157448501 260840232 /nfs/dbraw/zinc/84/02/32/260840232.db2.gz LECXORAPHQVABY-UHFFFAOYSA-N 0 3 272.392 3.599 20 30 CHEDHN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000154334397 261090734 /nfs/dbraw/zinc/09/07/34/261090734.db2.gz GMOFOIBXYXWJOQ-ACJLOTCBSA-N 0 3 292.382 3.905 20 30 CHEDHN Cc1ccc(C(=O)C(C#N)c2ccccn2)cc1Cl ZINC000103329863 261280140 /nfs/dbraw/zinc/28/01/40/261280140.db2.gz INNCMOCFMJPQPN-GFCCVEGCSA-N 0 3 270.719 3.534 20 30 CHEDHN N#CCCCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000171416803 261465139 /nfs/dbraw/zinc/46/51/39/261465139.db2.gz CPEZWRIOOZXFSU-UHFFFAOYSA-N 0 3 299.330 3.638 20 30 CHEDHN CC[C@H](CC#N)NC[C@H](C)c1cccc(Br)c1 ZINC000184085550 262007813 /nfs/dbraw/zinc/00/78/13/262007813.db2.gz QSNJBBVNDCGBTD-SMDDNHRTSA-N 0 3 295.224 3.834 20 30 CHEDHN COc1ccc2oc([C@@H](C)NCCCC#N)c(C)c2c1 ZINC000184087554 262008099 /nfs/dbraw/zinc/00/80/99/262008099.db2.gz CRZWNRJQWGYHKB-GFCCVEGCSA-N 0 3 272.348 3.704 20 30 CHEDHN C=C[C@@H](C)N[C@@H]1CCCc2c(Br)cccc21 ZINC000336745308 262008824 /nfs/dbraw/zinc/00/88/24/262008824.db2.gz QPSLHZVERGZQBQ-QMTHXVAHSA-N 0 3 280.209 3.991 20 30 CHEDHN CC(C)COC[C@H](NCCCC(C)(C)C#N)c1ccco1 ZINC000184148784 262010762 /nfs/dbraw/zinc/01/07/62/262010762.db2.gz FNLIEKNJGPLNLO-HNNXBMFYSA-N 0 3 292.423 3.913 20 30 CHEDHN C=CCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000117871009 262060081 /nfs/dbraw/zinc/06/00/81/262060081.db2.gz KTEAMZCSTCQRFP-KRWDZBQOSA-N 0 3 252.361 3.727 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(OC3CCCC3)c2)C1 ZINC000185777259 262069731 /nfs/dbraw/zinc/06/97/31/262069731.db2.gz XRHZMBMBUGLKDY-GDBMZVCRSA-N 0 3 299.418 3.575 20 30 CHEDHN CC[C@@H](C#N)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000187025581 262121520 /nfs/dbraw/zinc/12/15/20/262121520.db2.gz OQFBZYXVCSTHSV-ZFWWWQNUSA-N 0 3 271.408 3.761 20 30 CHEDHN C=C(C)[C@H](NCCCCOC)c1ccc(F)c(F)c1 ZINC000187777252 262143508 /nfs/dbraw/zinc/14/35/08/262143508.db2.gz MNJAAJZTFSHCDO-HNNXBMFYSA-N 0 3 269.335 3.598 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054182492 262260207 /nfs/dbraw/zinc/26/02/07/262260207.db2.gz RBBKCJAFGYHEAJ-GXTWGEPZSA-N 0 3 296.361 3.891 20 30 CHEDHN CC[C@@H](CC#N)NC1CCC(c2ccccc2)CC1 ZINC000054182245 262260281 /nfs/dbraw/zinc/26/02/81/262260281.db2.gz NXTWVBRZCXHIQS-CGZBRXJRSA-N 0 3 256.393 3.995 20 30 CHEDHN CCc1cnccc1[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000488303470 262308056 /nfs/dbraw/zinc/30/80/56/262308056.db2.gz UVYYSIHVZRSIBX-CQSZACIVSA-N 0 3 279.387 3.675 20 30 CHEDHN COc1cc([C@H](C)NCCC2(C#N)CCCCC2)ccn1 ZINC000411743570 262705877 /nfs/dbraw/zinc/70/58/77/262705877.db2.gz SJEAGGKIHPJYNI-AWEZNQCLSA-N 0 3 287.407 3.605 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)NCc1nc(C)cs1 ZINC000414541455 262988853 /nfs/dbraw/zinc/98/88/53/262988853.db2.gz WBDPISOXIUPRNU-HNNXBMFYSA-N 0 3 272.417 3.729 20 30 CHEDHN CC[C@H](NCCCC#N)c1ccc(Br)cc1 ZINC000271961154 263000711 /nfs/dbraw/zinc/00/07/11/263000711.db2.gz FWFPVKGKYOONOC-ZDUSSCGKSA-N 0 3 281.197 3.794 20 30 CHEDHN CC[C@H](NCCC(C)(C)C#N)c1ccc(OC)cc1 ZINC000272034226 263001488 /nfs/dbraw/zinc/00/14/88/263001488.db2.gz PUCDHQQGYPCFED-HNNXBMFYSA-N 0 3 260.381 3.676 20 30 CHEDHN CC1(C#N)CCN(CCCSCc2ccccc2)CC1 ZINC000272473836 263005059 /nfs/dbraw/zinc/00/50/59/263005059.db2.gz AHKRWNKEYIJVJZ-UHFFFAOYSA-N 0 3 288.460 3.936 20 30 CHEDHN Cc1cc(C)c(CN2CCC(C)(C#N)CC2)cc1C ZINC000272572228 263006730 /nfs/dbraw/zinc/00/67/30/263006730.db2.gz WHVDBGKFFCMRTH-UHFFFAOYSA-N 0 3 256.393 3.738 20 30 CHEDHN Cc1cc(CNCCCC#N)ccc1Oc1cccnc1 ZINC000273008933 263010856 /nfs/dbraw/zinc/01/08/56/263010856.db2.gz BPZHGJXAOLUTEB-UHFFFAOYSA-N 0 3 281.359 3.576 20 30 CHEDHN Cc1ccc(CCCN2CCC(C)(C#N)CC2)cc1 ZINC000273258522 263014290 /nfs/dbraw/zinc/01/42/90/263014290.db2.gz YZLJQEGBXACXDC-UHFFFAOYSA-N 0 3 256.393 3.553 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccccc1OC(F)(F)F ZINC000273300024 263014933 /nfs/dbraw/zinc/01/49/33/263014933.db2.gz UNWPQWOPVUJSOJ-SNVBAGLBSA-N 0 3 272.270 3.540 20 30 CHEDHN C[C@H](NCc1cccc2cc[nH]c21)c1ccc(C#N)cc1 ZINC000218139771 263032479 /nfs/dbraw/zinc/03/24/79/263032479.db2.gz ZRIXNEZEUCXMIH-ZDUSSCGKSA-N 0 3 275.355 3.890 20 30 CHEDHN C=C(CC)CN[C@H](c1cccs1)C1(CO)CCC1 ZINC000452061233 263033054 /nfs/dbraw/zinc/03/30/54/263033054.db2.gz OWUXOMCDZZRJEA-CQSZACIVSA-N 0 3 265.422 3.508 20 30 CHEDHN Cc1cc2c(cc1C)[C@H](NCCCC#N)CCS2 ZINC000275350947 263033157 /nfs/dbraw/zinc/03/31/57/263033157.db2.gz QPRJTSCBNUSRCZ-CQSZACIVSA-N 0 3 260.406 3.734 20 30 CHEDHN C[C@H](CCC#N)N(C)Cc1ccccc1C(F)(F)F ZINC000276290719 263035747 /nfs/dbraw/zinc/03/57/47/263035747.db2.gz HRDZCCZJXAXMIP-LLVKDONJSA-N 0 3 270.298 3.829 20 30 CHEDHN Cc1ccc2[nH]c([C@@H]3CCCN([C@H](C)CCC#N)C3)nc2c1 ZINC000276306125 263035951 /nfs/dbraw/zinc/03/59/51/263035951.db2.gz LDEPZMVMTUBMGQ-HUUCEWRRSA-N 0 3 296.418 3.743 20 30 CHEDHN Cc1ccc2nc([C@@H]3CCCN([C@H](C)CCC#N)C3)[nH]c2c1 ZINC000276306125 263035952 /nfs/dbraw/zinc/03/59/52/263035952.db2.gz LDEPZMVMTUBMGQ-HUUCEWRRSA-N 0 3 296.418 3.743 20 30 CHEDHN CN(CCCCC(C)(C)C#N)Cc1ccccc1[N+](=O)[O-] ZINC000278241728 263046008 /nfs/dbraw/zinc/04/60/08/263046008.db2.gz WJUHMTVDRGQGHT-UHFFFAOYSA-N 0 3 289.379 3.747 20 30 CHEDHN C=C(C)CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280817339 263064408 /nfs/dbraw/zinc/06/44/08/263064408.db2.gz UMZOGVSBKKETME-GFCCVEGCSA-N 0 3 293.716 3.558 20 30 CHEDHN N#CC1CCC(CNc2ccnc3ccccc32)CC1 ZINC000281688123 263071108 /nfs/dbraw/zinc/07/11/08/263071108.db2.gz RQHSEICDEPOCKK-UHFFFAOYSA-N 0 3 265.360 3.977 20 30 CHEDHN C[C@@H]1c2ccccc2CCN1CCCC1(C#N)CCOCC1 ZINC000282039380 263073832 /nfs/dbraw/zinc/07/38/32/263073832.db2.gz QTDDLJILLTYTNL-MRXNPFEDSA-N 0 3 298.430 3.706 20 30 CHEDHN CC(C)(CCC#N)CN1CCC=C(c2ccco2)C1 ZINC000289573482 263110749 /nfs/dbraw/zinc/11/07/49/263110749.db2.gz SRJDGEAVIJLNOK-UHFFFAOYSA-N 0 3 258.365 3.699 20 30 CHEDHN COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000290142674 263114899 /nfs/dbraw/zinc/11/48/99/263114899.db2.gz CGXZNQYQVPZRGS-MAZHCROVSA-N 0 3 292.810 3.699 20 30 CHEDHN CC(C)(C#N)CCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292105250 263128382 /nfs/dbraw/zinc/12/83/82/263128382.db2.gz IKXUTQNATSKMSN-UHFFFAOYSA-N 0 3 289.379 3.749 20 30 CHEDHN COc1cccc(C=C2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000292735815 263134540 /nfs/dbraw/zinc/13/45/40/263134540.db2.gz GYRBOBBVBYTMSZ-ROUUACIJSA-N 0 3 296.414 3.867 20 30 CHEDHN C=C(CNCc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000340436953 263147236 /nfs/dbraw/zinc/14/72/36/263147236.db2.gz JGXMHCXRYPNUEP-UHFFFAOYSA-N 0 3 289.382 3.675 20 30 CHEDHN CC(C)Oc1cccc(CN(C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000293728816 263148108 /nfs/dbraw/zinc/14/81/08/263148108.db2.gz GKYOONTUSCVQES-ZBFHGGJFSA-N 0 3 272.392 3.598 20 30 CHEDHN C=C[C@H](CO)N[C@@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000353569206 263172303 /nfs/dbraw/zinc/17/23/03/263172303.db2.gz KNCOFXKTWLJLPE-RISCZKNCSA-N 0 3 288.218 3.971 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC=C(c2cccnc2)C1 ZINC000295251041 263175233 /nfs/dbraw/zinc/17/52/33/263175233.db2.gz WRSOZBUULUGAIL-UHFFFAOYSA-N 0 3 283.419 3.891 20 30 CHEDHN CCc1ccc2nccc(N3CCC(C#N)CC3)c2c1 ZINC000295638439 263180647 /nfs/dbraw/zinc/18/06/47/263180647.db2.gz YCDULIXWSXRARB-UHFFFAOYSA-N 0 3 265.360 3.537 20 30 CHEDHN COc1cccc(C2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000297728764 263208823 /nfs/dbraw/zinc/20/88/23/263208823.db2.gz BWHBUEOVDDLGJG-AWEZNQCLSA-N 0 3 272.392 3.567 20 30 CHEDHN C[C@@H](CCC#N)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000298130553 263215222 /nfs/dbraw/zinc/21/52/22/263215222.db2.gz KUELSXXOMHUUOI-IPELMVKDSA-N 0 3 294.398 3.743 20 30 CHEDHN CC(C)Oc1cccc([C@@H](C)N[C@H](C)CCC#N)c1 ZINC000299184674 263234110 /nfs/dbraw/zinc/23/41/10/263234110.db2.gz ADMAEIOPKAIQRR-ZIAGYGMSSA-N 0 3 260.381 3.817 20 30 CHEDHN CCOc1ccc(C2=CCN([C@H](C)CCC#N)CC2)cc1 ZINC000299692684 263252057 /nfs/dbraw/zinc/25/20/57/263252057.db2.gz NXUZMUCPJWOCPD-OAHLLOKOSA-N 0 3 284.403 3.867 20 30 CHEDHN CCOc1ccccc1[C@H](CC)N[C@H](C)CCC#N ZINC000299727282 263253947 /nfs/dbraw/zinc/25/39/47/263253947.db2.gz VEMKRWMWHDLQKY-HIFRSBDPSA-N 0 3 260.381 3.818 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000121064310 263289843 /nfs/dbraw/zinc/28/98/43/263289843.db2.gz ZQVORTYQBJZABJ-HNNXBMFYSA-N 0 3 274.408 3.528 20 30 CHEDHN C=CCCOCCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000341912584 263366017 /nfs/dbraw/zinc/36/60/17/263366017.db2.gz VSTNHDZXSGJJCH-HNNXBMFYSA-N 0 3 295.810 3.736 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](CC(C)C)c1ccccc1OC ZINC000342334818 263422191 /nfs/dbraw/zinc/42/21/91/263422191.db2.gz LNAOOVQBCOHCPM-DOTOQJQBSA-N 0 3 291.435 3.699 20 30 CHEDHN C[C@@H](C1CC1)N(Cc1ccccc1)CC1(C#N)CC1 ZINC000343261829 264254331 /nfs/dbraw/zinc/25/43/31/264254331.db2.gz TUYRADFOXCBXSH-AWEZNQCLSA-N 0 3 254.377 3.591 20 30 CHEDHN C=CCCCN(C)Cc1ccc(-c2ccccn2)nc1 ZINC000425409494 264285465 /nfs/dbraw/zinc/28/54/65/264285465.db2.gz WFKHWJYRGAWSDA-UHFFFAOYSA-N 0 3 267.376 3.542 20 30 CHEDHN Cn1cc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)cc1C#N ZINC000189586287 264311098 /nfs/dbraw/zinc/31/10/98/264311098.db2.gz VZZPVRHRHWGQGY-QGZVFWFLSA-N 0 3 299.393 3.913 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(CC#N)cc1 ZINC000425530613 264443232 /nfs/dbraw/zinc/44/32/32/264443232.db2.gz FQEDGBBGXOTGIJ-OAHLLOKOSA-N 0 3 289.382 3.817 20 30 CHEDHN C=CCC[C@@H](NCC(C)(C)OCC)c1ccco1 ZINC000287522380 264624160 /nfs/dbraw/zinc/62/41/60/264624160.db2.gz OPLKDYKTIFHGDA-CYBMUJFWSA-N 0 3 251.370 3.692 20 30 CHEDHN CC1(C)CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000094325683 265234867 /nfs/dbraw/zinc/23/48/67/265234867.db2.gz ICEDOZALBPMVSZ-OAHLLOKOSA-N 0 3 260.356 3.756 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](c1cccnc1)C1CC1)CC2 ZINC000353260630 266036357 /nfs/dbraw/zinc/03/63/57/266036357.db2.gz FUIVSIABHBQDGQ-OALUTQOASA-N 0 3 289.382 3.681 20 30 CHEDHN COc1ccc(CN2CC[C@H](C)C3(CCC3)C2)cc1C#N ZINC000357006267 266230787 /nfs/dbraw/zinc/23/07/87/266230787.db2.gz BALOMDCJZMVOPG-AWEZNQCLSA-N 0 3 284.403 3.579 20 30 CHEDHN N#CCCCN[C@H]1CCCc2cc(Br)ccc21 ZINC000358977768 266517598 /nfs/dbraw/zinc/51/75/98/266517598.db2.gz FCFQFZNBHZJVJY-AWEZNQCLSA-N 0 3 293.208 3.720 20 30 CHEDHN CC(C)(CCC#N)CN1CCO[C@H](C2CCCCC2)C1 ZINC000368821091 267207765 /nfs/dbraw/zinc/20/77/65/267207765.db2.gz AMXUHZAOSLHKQM-INIZCTEOSA-N 0 3 278.440 3.597 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC/C=C/c1ccncc1 ZINC000418138331 267360912 /nfs/dbraw/zinc/36/09/12/267360912.db2.gz CQNHUDXUJBEFLR-PHXNAMCJSA-N 0 3 289.382 3.634 20 30 CHEDHN C[C@H](Cc1cccc(C(F)(F)F)c1)NCC1(C#N)CCC1 ZINC000418143526 267364799 /nfs/dbraw/zinc/36/47/99/267364799.db2.gz PZVGSJFVQSOSKZ-GFCCVEGCSA-N 0 3 296.336 3.920 20 30 CHEDHN CC[C@@H](Cc1ccc(C)cc1)NCC1(C#N)CCC1 ZINC000418144030 267365358 /nfs/dbraw/zinc/36/53/58/267365358.db2.gz SBOGTJBQUKLXDR-INIZCTEOSA-N 0 3 256.393 3.600 20 30 CHEDHN C=CC(C)(C)CN[C@H](C)c1ccc(Br)cn1 ZINC000570791461 327619407 /nfs/dbraw/zinc/61/94/07/327619407.db2.gz UUWDHMAUSWPGNB-SNVBAGLBSA-N 0 3 283.213 3.707 20 30 CHEDHN C=CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000571389753 328118494 /nfs/dbraw/zinc/11/84/94/328118494.db2.gz LBJCGOQWFPVNEH-UHFFFAOYSA-N 0 3 286.331 3.911 20 30 CHEDHN CCN(Cc1cccs1)Cc1ccc(OCC#N)cc1 ZINC000264166809 328158149 /nfs/dbraw/zinc/15/81/49/328158149.db2.gz UMZXIPOMTGBEJI-UHFFFAOYSA-N 0 3 286.400 3.673 20 30 CHEDHN N#CCCN[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414450146 328177166 /nfs/dbraw/zinc/17/71/66/328177166.db2.gz WMJIDMJVMTVKRX-DZGCQCFKSA-N 0 3 262.784 3.869 20 30 CHEDHN COC[C@H](NCCCCC(C)(C)C#N)c1ccc(C)o1 ZINC000278543365 328226912 /nfs/dbraw/zinc/22/69/12/328226912.db2.gz AJDZHHRVWRHXFI-AWEZNQCLSA-N 0 3 278.396 3.585 20 30 CHEDHN CSc1cc(C)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000278797437 328230262 /nfs/dbraw/zinc/23/02/62/328230262.db2.gz QWQFXFYTNQQEQJ-DZGCQCFKSA-N 0 3 274.433 3.889 20 30 CHEDHN C[C@@H](NCC1CCC(C#N)CC1)c1nc2ccccc2n1C ZINC000282235856 328241903 /nfs/dbraw/zinc/24/19/03/328241903.db2.gz ITDZVZIMKYIHSM-WLYUNCDWSA-N 0 3 296.418 3.554 20 30 CHEDHN CSC[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000292426310 328270346 /nfs/dbraw/zinc/27/03/46/328270346.db2.gz NEAHUUMHRNKTJE-UKRRQHHQSA-N 0 3 274.433 3.694 20 30 CHEDHN CN(CCCC(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296161089 328289241 /nfs/dbraw/zinc/28/92/41/328289241.db2.gz HHSPLUPJRFMEBP-HNNXBMFYSA-N 0 3 294.826 3.635 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)o2)[C@@H]2CCCC[C@@H]12 ZINC000535072792 328383919 /nfs/dbraw/zinc/38/39/19/328383919.db2.gz OVKVMZJSZVZDMH-UHOFOFEASA-N 0 3 258.365 3.552 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)c(C)o1 ZINC000282735367 328512298 /nfs/dbraw/zinc/51/22/98/328512298.db2.gz MVKCDCSBVGQIHF-BJJXKVORSA-N 0 3 263.381 3.528 20 30 CHEDHN C=CCC[C@@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000320600581 328536999 /nfs/dbraw/zinc/53/69/99/328536999.db2.gz FDNQOJAGUHIJHQ-HNNXBMFYSA-N 0 3 289.350 3.502 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1CCCCN1C1CC1)c1ccco1 ZINC000556878362 326976865 /nfs/dbraw/zinc/97/68/65/326976865.db2.gz MOIHNJSQFQVWFS-IRXDYDNUSA-N 0 3 288.435 3.893 20 30 CHEDHN CCCCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000584144812 327048985 /nfs/dbraw/zinc/04/89/85/327048985.db2.gz PGXWEUGKAZHUAZ-UHFFFAOYSA-N 0 3 270.298 3.809 20 30 CHEDHN C=CCOCCN[C@@H](c1ccccc1Cl)C(C)C ZINC000559147382 327143373 /nfs/dbraw/zinc/14/33/73/327143373.db2.gz WFPHWQVCVDGNDM-OAHLLOKOSA-N 0 3 267.800 3.829 20 30 CHEDHN CCO[C@H]1C[C@@H](NCc2ccccc2C#N)C12CCCCC2 ZINC000559326830 327160071 /nfs/dbraw/zinc/16/00/71/327160071.db2.gz CSDQAUFHALKNNI-MSOLQXFVSA-N 0 3 298.430 3.776 20 30 CHEDHN CCCN(C(=O)C(C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000531043584 327227235 /nfs/dbraw/zinc/22/72/35/327227235.db2.gz XRIXNCOZOUQYPN-QWHCGFSZSA-N 0 3 284.359 3.892 20 30 CHEDHN CC/C=C/CNCc1ccc(C#N)cc1C(F)(F)F ZINC000449460790 327227987 /nfs/dbraw/zinc/22/79/87/327227987.db2.gz SCIJGDQPOFUSCV-ONEGZZNKSA-N 0 3 268.282 3.633 20 30 CHEDHN CC1(C)CN(CC#Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000559432831 327244976 /nfs/dbraw/zinc/24/49/76/327244976.db2.gz XSXSOURZYZYIAG-SJORKVTESA-N 0 3 253.389 3.549 20 30 CHEDHN C[C@@H]1C[C@H](NCC2(C#N)CC2)C[C@@H](c2ccccc2)C1 ZINC000555709784 327249550 /nfs/dbraw/zinc/24/95/50/327249550.db2.gz LMXJJXAVEHIMCD-XIRDDKMYSA-N 0 3 268.404 3.852 20 30 CHEDHN C=CC[C@@H](C)NCc1c(F)cccc1OC(F)(F)F ZINC000560049140 327280490 /nfs/dbraw/zinc/28/04/90/327280490.db2.gz UHYDUDQGYCBJJW-SECBINFHSA-N 0 3 277.261 3.779 20 30 CHEDHN CC#CCN(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000525623710 327283129 /nfs/dbraw/zinc/28/31/29/327283129.db2.gz WGUMLLUVYAAFCF-UHFFFAOYSA-N 0 3 295.430 3.745 20 30 CHEDHN C[C@@H](NCC1(C(F)(F)F)CCC1)c1cccc(C#N)c1 ZINC000507236198 332799416 /nfs/dbraw/zinc/79/94/16/332799416.db2.gz XILTVWSBQZDMDU-LLVKDONJSA-N 0 3 282.309 3.941 20 30 CHEDHN C=CCCCC[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000569954166 327557984 /nfs/dbraw/zinc/55/79/84/327557984.db2.gz NAFJHAHWADIMIF-UHFFFAOYSA-N 0 3 273.298 3.857 20 30 CHEDHN N#CCC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000580363566 328796327 /nfs/dbraw/zinc/79/63/27/328796327.db2.gz DTHQWVOUHLHHLC-OWOJBTEDSA-N 0 3 276.330 3.604 20 30 CHEDHN CC[C@H](NCc1c(C)nn(CC)c1C)c1ccc(C#N)cc1 ZINC000582400017 328979515 /nfs/dbraw/zinc/97/95/15/328979515.db2.gz IVAVWCZJMPYLKK-SFHVURJKSA-N 0 3 296.418 3.632 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000377785966 329029380 /nfs/dbraw/zinc/02/93/80/329029380.db2.gz YMCHQTXYFUAKEZ-MOPGFXCFSA-N 0 3 292.382 3.568 20 30 CHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000193872070 329062325 /nfs/dbraw/zinc/06/23/25/329062325.db2.gz FTGLQSHLOVOQML-GOSISDBHSA-N 0 3 292.382 3.734 20 30 CHEDHN CCC[C@H](C)[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1Cl ZINC000582551085 329106304 /nfs/dbraw/zinc/10/63/04/329106304.db2.gz LTWFLKCJLCPOOI-MKBNYLNASA-N 0 3 294.826 3.659 20 30 CHEDHN C=CCN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175852761 329171829 /nfs/dbraw/zinc/17/18/29/329171829.db2.gz KTRVSJMAZAGWEG-KBPBESRZSA-N 0 3 265.422 3.602 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1CC(C)C ZINC000396883394 329318351 /nfs/dbraw/zinc/31/83/51/329318351.db2.gz TVVRGOWCBOAMFI-MRXNPFEDSA-N 0 3 272.392 3.577 20 30 CHEDHN C=CCc1cc(CN2CCCC3(CC3)C2)cc(OC)c1O ZINC000186626519 329346829 /nfs/dbraw/zinc/34/68/29/329346829.db2.gz JJDAEKHIOTYEDB-UHFFFAOYSA-N 0 3 287.403 3.505 20 30 CHEDHN C=C(C)CCN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000508991412 332854159 /nfs/dbraw/zinc/85/41/59/332854159.db2.gz OJHGIRLFVBKNJZ-AWEZNQCLSA-N 0 3 287.325 3.949 20 30 CHEDHN C[C@H]1CCC[C@@H](N(C)Cc2cc(F)ccc2C#N)C1 ZINC000229957314 329359425 /nfs/dbraw/zinc/35/94/25/329359425.db2.gz OTXCZYCZMFKEEX-BLLLJJGKSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(C)[C@@H](NC[C@@H](CC)OC)c1ccc(F)c(F)c1 ZINC000419283827 329717322 /nfs/dbraw/zinc/71/73/22/329717322.db2.gz ZPEYHUVRWDJAAJ-IUODEOHRSA-N 0 3 269.335 3.597 20 30 CHEDHN C=C(C)[C@H](NC[C@@H](CC)OC)c1ccc(F)c(F)c1 ZINC000419283825 329717467 /nfs/dbraw/zinc/71/74/67/329717467.db2.gz ZPEYHUVRWDJAAJ-DOMZBBRYSA-N 0 3 269.335 3.597 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@H](CC(F)F)c2ccccc2)C1 ZINC000421378553 329817321 /nfs/dbraw/zinc/81/73/21/329817321.db2.gz VKGZMCMDTNIVJX-MRVWCRGKSA-N 0 3 264.319 3.665 20 30 CHEDHN COc1cc(CN(C)[C@@H]2CC[C@H](C#N)C2)ccc1SC ZINC000429684289 330057894 /nfs/dbraw/zinc/05/78/94/330057894.db2.gz JYOGMMOXXJIYKW-GXTWGEPZSA-N 0 3 290.432 3.541 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCc1nnc(C(C)(C)C)s1 ZINC000271563663 330080931 /nfs/dbraw/zinc/08/09/31/330080931.db2.gz YAQXHDIBBDNFRC-QWRGUYRKSA-N 0 3 267.442 3.526 20 30 CHEDHN C=CCC[C@@H](CC)NCc1nnc(C(C)(C)C)s1 ZINC000271544519 330081074 /nfs/dbraw/zinc/08/10/74/330081074.db2.gz UUHIXRCLBPXJKX-LLVKDONJSA-N 0 3 267.442 3.670 20 30 CHEDHN C#CC[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000271524844 330081106 /nfs/dbraw/zinc/08/11/06/330081106.db2.gz OXNWUKHRIDVWTP-YOEHRIQHSA-N 0 3 293.366 3.831 20 30 CHEDHN COc1cc(Cl)ccc1[C@H](C)NCCCCC#N ZINC000421822342 330082948 /nfs/dbraw/zinc/08/29/48/330082948.db2.gz AGPIDJZTHDMRDK-NSHDSACASA-N 0 3 266.772 3.693 20 30 CHEDHN C=CCC[C@H](N[C@H]1CCO[C@H](CC)C1)c1ccco1 ZINC000421858238 330089854 /nfs/dbraw/zinc/08/98/54/330089854.db2.gz PIZSOZSEFCFYJS-ZNMIVQPWSA-N 0 3 263.381 3.834 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(Cl)cc1OC ZINC000421841609 330093621 /nfs/dbraw/zinc/09/36/21/330093621.db2.gz JBZUJEJBVJZIMJ-LBPRGKRZSA-N 0 3 283.799 3.592 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000274803255 330108160 /nfs/dbraw/zinc/10/81/60/330108160.db2.gz OYFLSDBQRFLBTH-KFNAQCHYSA-N 0 3 281.346 3.739 20 30 CHEDHN C=CCCN(C)Cc1ccccc1OCc1cccnc1 ZINC000276108091 330112347 /nfs/dbraw/zinc/11/23/47/330112347.db2.gz HHMXICRRIUMWQN-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN C=CCC[C@H](NCCc1ccccn1)c1ccco1 ZINC000276475774 330113388 /nfs/dbraw/zinc/11/33/88/330113388.db2.gz QQIWIQSJKJFKJA-HNNXBMFYSA-N 0 3 256.349 3.514 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)c1ccsc1)c1ccco1 ZINC000276464090 330113819 /nfs/dbraw/zinc/11/38/19/330113819.db2.gz OLAPALKDRIBHMY-UONOGXRCSA-N 0 3 277.389 3.672 20 30 CHEDHN C=CCC[C@H](NCCc1cccnc1)c1ccco1 ZINC000279141869 330121828 /nfs/dbraw/zinc/12/18/28/330121828.db2.gz ZGWOPRYEARFLQD-HNNXBMFYSA-N 0 3 256.349 3.514 20 30 CHEDHN CC[C@@H](NCc1cc(C)cc(N)c1)c1ccc(C#N)cc1 ZINC000423488796 330207041 /nfs/dbraw/zinc/20/70/41/330207041.db2.gz ZFJRCSKWQXUGEJ-GOSISDBHSA-N 0 3 279.387 3.690 20 30 CHEDHN CC(C)Cc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000527916667 330295148 /nfs/dbraw/zinc/29/51/48/330295148.db2.gz BJJYVUWAOKJOHG-WMLDXEAASA-N 0 3 256.393 3.667 20 30 CHEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3)CC2)c(F)c1 ZINC000532989719 330323328 /nfs/dbraw/zinc/32/33/28/330323328.db2.gz VHLINXWAFZJMST-UHFFFAOYSA-N 0 3 298.336 3.658 20 30 CHEDHN C=CCCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000533034424 330324824 /nfs/dbraw/zinc/32/48/24/330324824.db2.gz LDXJLUAGNUAEKW-GOSISDBHSA-N 0 3 266.388 3.859 20 30 CHEDHN CC1(C)C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424325435 330341134 /nfs/dbraw/zinc/34/11/34/330341134.db2.gz KTWYCUZGIKKVFL-WOSRLPQWSA-N 0 3 254.377 3.691 20 30 CHEDHN Cc1cc2c(cc1C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424325986 330341321 /nfs/dbraw/zinc/34/13/21/330341321.db2.gz LMPXIHYTXNQOAC-UXLLHSPISA-N 0 3 284.403 3.799 20 30 CHEDHN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1F ZINC000424328469 330341855 /nfs/dbraw/zinc/34/18/55/330341855.db2.gz ODHWBHZQRDXXKS-GHJWDPDVSA-N 0 3 278.346 3.944 20 30 CHEDHN C=C(CC)CN[C@H](Cc1ccncc1)c1cccs1 ZINC000424329516 330341910 /nfs/dbraw/zinc/34/19/10/330341910.db2.gz GQKOOUXIZWXFMH-OAHLLOKOSA-N 0 3 272.417 3.983 20 30 CHEDHN CC(C)Oc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424330031 330342036 /nfs/dbraw/zinc/34/20/36/330342036.db2.gz QAQZRPXAHYXLDW-IJEWVQPXSA-N 0 3 272.392 3.817 20 30 CHEDHN COCCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000424331355 330342278 /nfs/dbraw/zinc/34/22/78/330342278.db2.gz SALIHSBZYBLYKI-XKQJLSEDSA-N 0 3 290.382 3.575 20 30 CHEDHN C[C@@H](c1ccco1)N(CCOc1ccccc1C#N)C1CC1 ZINC000119222900 330371955 /nfs/dbraw/zinc/37/19/55/330371955.db2.gz GPTVEVPQTBTHJQ-AWEZNQCLSA-N 0 3 296.370 3.756 20 30 CHEDHN CC(C)(C#N)CCN1CCSC[C@@H]1c1ccccc1 ZINC000119925640 330380364 /nfs/dbraw/zinc/38/03/64/330380364.db2.gz PSZCPDVAEMBVAU-OAHLLOKOSA-N 0 3 274.433 3.716 20 30 CHEDHN C=CCN[C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC000537077344 330395958 /nfs/dbraw/zinc/39/59/58/330395958.db2.gz OFEHPHNJKHZYAZ-AWEZNQCLSA-N 0 3 277.408 3.957 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000537068453 330396156 /nfs/dbraw/zinc/39/61/56/330396156.db2.gz DBTRFWZESLZAKQ-ZDUSSCGKSA-N 0 3 263.381 3.711 20 30 CHEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCC1(CC#N)CC1 ZINC000430738987 330572173 /nfs/dbraw/zinc/57/21/73/330572173.db2.gz CAJKWACLZVYDOC-LRDDRELGSA-N 0 3 272.367 3.733 20 30 CHEDHN C[C@H]1CC[C@@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000430740774 330572258 /nfs/dbraw/zinc/57/22/58/330572258.db2.gz CHTIOBWJTQWGST-XJKSGUPXSA-N 0 3 254.377 3.908 20 30 CHEDHN N#CCC1(CN[C@H]2CCSc3ccccc32)CC1 ZINC000430757248 330573348 /nfs/dbraw/zinc/57/33/48/330573348.db2.gz VHQBFUKRHKBXLV-ZDUSSCGKSA-N 0 3 258.390 3.507 20 30 CHEDHN CSC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000433087481 330616794 /nfs/dbraw/zinc/61/67/94/330616794.db2.gz AWIDNMDHWGAETE-NSHDSACASA-N 0 3 278.396 3.634 20 30 CHEDHN CCCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000442852303 330786952 /nfs/dbraw/zinc/78/69/52/330786952.db2.gz HJVMXIYTBFGLEJ-ZBFHGGJFSA-N 0 3 272.392 3.566 20 30 CHEDHN C=C[C@@](C)(CC)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000443058173 330793379 /nfs/dbraw/zinc/79/33/79/330793379.db2.gz MJUSYILKDKGDOD-KRWDZBQOSA-N 0 3 274.408 3.597 20 30 CHEDHN Cc1ccc(CNCc2ccc(C#N)c(C)c2)s1 ZINC000443957403 330807802 /nfs/dbraw/zinc/80/78/02/330807802.db2.gz JERMINFOZARTTI-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN C=CC[C@H](C)NCc1ccc(C)cc1Br ZINC000159636195 330849590 /nfs/dbraw/zinc/84/95/90/330849590.db2.gz XGPNIKHSPREKKA-NSHDSACASA-N 0 3 268.198 3.812 20 30 CHEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000447320538 330864722 /nfs/dbraw/zinc/86/47/22/330864722.db2.gz CESSWPAAJFJASX-ZYHUDNBSSA-N 0 3 288.218 3.971 20 30 CHEDHN C=CC[C@@H](C)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449148383 330901909 /nfs/dbraw/zinc/90/19/09/330901909.db2.gz KDYOKXCYSBKJGK-KCJUWKMLSA-N 0 3 255.283 3.645 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H](CO)c1ccsc1 ZINC000449250217 330909678 /nfs/dbraw/zinc/90/96/78/330909678.db2.gz OMDRIKXTUSINPM-OCCSQVGLSA-N 0 3 253.411 3.506 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCCc3c(F)cccc32)c1 ZINC000449353245 330917949 /nfs/dbraw/zinc/91/79/49/330917949.db2.gz ZGROAKWWNXRZFY-SFHVURJKSA-N 0 3 280.346 3.865 20 30 CHEDHN CO[C@@](C)(CNCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC000449482878 330929603 /nfs/dbraw/zinc/92/96/03/330929603.db2.gz DKOHUFSCZVIBTR-IBGZPJMESA-N 0 3 294.398 3.518 20 30 CHEDHN C=CCOc1ccccc1CNCCCc1ncccc1C ZINC000449487406 330930178 /nfs/dbraw/zinc/93/01/78/330930178.db2.gz XSIWGIIOYSTYGE-UHFFFAOYSA-N 0 3 296.414 3.677 20 30 CHEDHN CCC[C@@H]1CCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000449735197 330946834 /nfs/dbraw/zinc/94/68/34/330946834.db2.gz QFZLQYYJPOXMSM-OLZOCXBDSA-N 0 3 277.437 3.711 20 30 CHEDHN CC1(C)CCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000162766386 330956508 /nfs/dbraw/zinc/95/65/08/330956508.db2.gz OHJLQMPOTUHFEJ-CQSZACIVSA-N 0 3 262.784 3.880 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1C[C@H](C)O[C@H]1C)c1ccc(F)c(F)c1 ZINC000451154810 331017917 /nfs/dbraw/zinc/01/79/17/331017917.db2.gz MKCKGFYQSGBUHD-QMMBQJITSA-N 0 3 281.346 3.738 20 30 CHEDHN C=CCCC[C@H](C)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451289778 331023370 /nfs/dbraw/zinc/02/33/70/331023370.db2.gz YKPYFGSXLMXDFP-SZMVWBNQSA-N 0 3 291.410 3.531 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000451601853 331035948 /nfs/dbraw/zinc/03/59/48/331035948.db2.gz BUQOLTMOMKPZJB-FZZIBODNSA-N 0 3 286.202 3.988 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1sc(C(C)C)nc1C ZINC000453335699 331118316 /nfs/dbraw/zinc/11/83/16/331118316.db2.gz FOSXXTGJGFCDLE-YUTCNCBUSA-N 0 3 294.464 3.959 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000453357559 331121867 /nfs/dbraw/zinc/12/18/67/331121867.db2.gz OPMONKDPUMQBFN-VQISRLSMSA-N 0 3 283.774 3.863 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000453364908 331123178 /nfs/dbraw/zinc/12/31/78/331123178.db2.gz QMAHAMNBYFJUKW-XKQJLSEDSA-N 0 3 289.419 3.858 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000453367573 331123411 /nfs/dbraw/zinc/12/34/11/331123411.db2.gz UEPIQGQXJUMCCI-GLQYFDAESA-N 0 3 297.345 3.672 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1sc(C(C)C)nc1C ZINC000453372743 331124339 /nfs/dbraw/zinc/12/43/39/331124339.db2.gz VBSZQUGIZBZFKH-RTXFEEFZSA-N 0 3 280.437 3.569 20 30 CHEDHN C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000453377599 331125167 /nfs/dbraw/zinc/12/51/67/331125167.db2.gz IYBIZDOCIDEQCJ-VOJFVSQTSA-N 0 3 298.336 3.860 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1SCC ZINC000453377661 331125305 /nfs/dbraw/zinc/12/53/05/331125305.db2.gz YEEMEVUOBURKJP-CFVMTHIKSA-N 0 3 277.433 3.793 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000453380520 331125680 /nfs/dbraw/zinc/12/56/80/331125680.db2.gz ZYAGXEJTXOBKKP-MCIONIFRSA-N 0 3 298.213 3.914 20 30 CHEDHN C=CCC[C@H](NCCc1ccc(C)cn1)c1ccco1 ZINC000453441074 331131955 /nfs/dbraw/zinc/13/19/55/331131955.db2.gz WZLXIGBGNZCUML-INIZCTEOSA-N 0 3 270.376 3.823 20 30 CHEDHN C=CC[C@@H]1N(Cc2cnc(C3CC3)nc2)CCCC1(C)C ZINC000459511694 331285534 /nfs/dbraw/zinc/28/55/34/331285534.db2.gz JDCPYBSNNWNDKH-INIZCTEOSA-N 0 3 285.435 3.921 20 30 CHEDHN C[C@H](CCCc1cccnc1)NCc1ccc(F)cc1C#N ZINC000459651927 331292259 /nfs/dbraw/zinc/29/22/59/331292259.db2.gz ZWHGSCJBHNKJEW-CQSZACIVSA-N 0 3 297.377 3.593 20 30 CHEDHN CC(C)Oc1ccccc1CNCC(C)(C)CC#N ZINC000459692555 331294747 /nfs/dbraw/zinc/29/47/47/331294747.db2.gz MCAYGYWVJRCDAW-UHFFFAOYSA-N 0 3 260.381 3.503 20 30 CHEDHN Cc1cc(Br)ccc1CNCC(C)(C)CC#N ZINC000459725491 331296015 /nfs/dbraw/zinc/29/60/15/331296015.db2.gz CQWPUJDVMNNGPX-UHFFFAOYSA-N 0 3 295.224 3.787 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc2c(c1)CCCC2 ZINC000459728102 331296245 /nfs/dbraw/zinc/29/62/45/331296245.db2.gz HUFRTXMJBKYRGL-UHFFFAOYSA-N 0 3 256.393 3.595 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(C(F)(F)F)s1 ZINC000459732129 331296756 /nfs/dbraw/zinc/29/67/56/331296756.db2.gz OQGIJLLYOTXPDM-UHFFFAOYSA-N 0 3 276.327 3.796 20 30 CHEDHN CCC[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CCC1 ZINC000459801314 331301620 /nfs/dbraw/zinc/30/16/20/331301620.db2.gz KZSPRNOTZOWQRK-OAHLLOKOSA-N 0 3 287.363 3.525 20 30 CHEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000166724698 331307640 /nfs/dbraw/zinc/30/76/40/331307640.db2.gz XSNJJZJFPYZTRI-AGIUHOORSA-N 0 3 260.356 3.564 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000462012722 331316710 /nfs/dbraw/zinc/31/67/10/331316710.db2.gz ZVVFJMULAPQCNV-CYBMUJFWSA-N 0 3 288.366 3.647 20 30 CHEDHN CC#CCCN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000462315828 331319187 /nfs/dbraw/zinc/31/91/87/331319187.db2.gz MWBFPYROHAWHOZ-UHFFFAOYSA-N 0 3 271.404 3.560 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1C[C@@H]1Cc1ccccc1 ZINC000462764523 331327958 /nfs/dbraw/zinc/32/79/58/331327958.db2.gz NXDWZGFXBJFWMS-OALUTQOASA-N 0 3 293.410 3.972 20 30 CHEDHN C[C@@H](CNc1c(Cl)cccc1C#N)N1CCC[C@H](C)C1 ZINC000462781265 331328703 /nfs/dbraw/zinc/32/87/03/331328703.db2.gz XRXBBBGOASOSCL-STQMWFEESA-N 0 3 291.826 3.744 20 30 CHEDHN N#Cc1cccc(CCNCc2cc(Cl)ccc2F)c1 ZINC000466421484 331396109 /nfs/dbraw/zinc/39/61/09/331396109.db2.gz DMEOSQRAIOFBRH-UHFFFAOYSA-N 0 3 288.753 3.683 20 30 CHEDHN CC(C)(C)c1cnc(CNCCc2cccc(C#N)c2)s1 ZINC000466423828 331396514 /nfs/dbraw/zinc/39/65/14/331396514.db2.gz DZJKGRIHKHZFEF-UHFFFAOYSA-N 0 3 299.443 3.645 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](CO)c1cccc(Cl)c1F ZINC000467415132 331418282 /nfs/dbraw/zinc/41/82/82/331418282.db2.gz AHSNBDPCWAREOK-WDMOLILDSA-N 0 3 285.790 3.703 20 30 CHEDHN C=CCCCCN[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000471884823 331523192 /nfs/dbraw/zinc/52/31/92/331523192.db2.gz MIJITDBOOHNXPB-KRWDZBQOSA-N 0 3 288.435 3.542 20 30 CHEDHN C=C(C)COCCNCc1c(Cl)cccc1CC ZINC000474349638 331581500 /nfs/dbraw/zinc/58/15/00/331581500.db2.gz XHLCFAVXFSXHQT-UHFFFAOYSA-N 0 3 267.800 3.585 20 30 CHEDHN C=C(C)[C@H](N[C@@H](C)[C@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000474927662 331604325 /nfs/dbraw/zinc/60/43/25/331604325.db2.gz KUBKTGIZFUWHLI-JDFRZJQESA-N 0 3 295.373 3.987 20 30 CHEDHN CC#CCN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511058249 332925945 /nfs/dbraw/zinc/92/59/45/332925945.db2.gz DZIWBSJKTORHKH-INIZCTEOSA-N 0 3 263.331 3.572 20 30 CHEDHN CC1(C)CCCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000481187537 331800592 /nfs/dbraw/zinc/80/05/92/331800592.db2.gz ZUWJLQUWSMZNGD-HNNXBMFYSA-N 0 3 260.356 3.756 20 30 CHEDHN C=CCC[C@H](CC)N[C@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000488488786 332013457 /nfs/dbraw/zinc/01/34/57/332013457.db2.gz RYQWNVUZROBBNJ-UPJWGTAASA-N 0 3 264.417 3.714 20 30 CHEDHN C#C[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1 ZINC000491734477 332315341 /nfs/dbraw/zinc/31/53/41/332315341.db2.gz BPVSBFYBGLHANQ-JKSUJKDBSA-N 0 3 289.806 3.706 20 30 CHEDHN C#C[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1 ZINC000491734448 332315353 /nfs/dbraw/zinc/31/53/53/332315353.db2.gz BPVSBFYBGLHANQ-CVEARBPZSA-N 0 3 289.806 3.706 20 30 CHEDHN N#CC1(CN(CCc2ccc(Cl)cc2)CC2CC2)CC1 ZINC000553277110 334373141 /nfs/dbraw/zinc/37/31/41/334373141.db2.gz AFWZLMHZVRNDIL-UHFFFAOYSA-N 0 3 288.822 3.898 20 30 CHEDHN C=CCCN1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000499849521 332594360 /nfs/dbraw/zinc/59/43/60/332594360.db2.gz IJEMMCSPEJEBCV-AWEZNQCLSA-N 0 3 278.827 3.595 20 30 CHEDHN CC1(C#N)CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000506055108 332760849 /nfs/dbraw/zinc/76/08/49/332760849.db2.gz AGUFTNDUBKGCPD-UHFFFAOYSA-N 0 3 294.398 3.844 20 30 CHEDHN C=C(C)CNCc1ccc(OCCCC)c(OCC)c1 ZINC000512355411 332964428 /nfs/dbraw/zinc/96/44/28/332964428.db2.gz WLTOHOWGBIBRMP-UHFFFAOYSA-N 0 3 277.408 3.930 20 30 CHEDHN CCCC(O)(CCC)CN[C@H](C)c1ccc(C#N)cc1F ZINC000512643655 332977482 /nfs/dbraw/zinc/97/74/82/332977482.db2.gz XXWVQUSRIAYDBE-CYBMUJFWSA-N 0 3 292.398 3.679 20 30 CHEDHN C=CCCCC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000175099622 333014851 /nfs/dbraw/zinc/01/48/51/333014851.db2.gz UNPBCEQSFKCPMF-QGZVFWFLSA-N 0 3 288.435 3.542 20 30 CHEDHN CCCOC1(CNCc2cccc(C#N)c2)CCCCC1 ZINC000517057816 333091234 /nfs/dbraw/zinc/09/12/34/333091234.db2.gz UOBBBDKDFIVLRC-UHFFFAOYSA-N 0 3 286.419 3.777 20 30 CHEDHN C=C(CC)CN[C@@H](COC)c1cccc(Cl)c1 ZINC000572520566 333115134 /nfs/dbraw/zinc/11/51/34/333115134.db2.gz KGZRZMQKHLBHIR-AWEZNQCLSA-N 0 3 253.773 3.583 20 30 CHEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OCC2CC2)c1 ZINC000185863309 333150581 /nfs/dbraw/zinc/15/05/81/333150581.db2.gz HIGYDGDLZDZJDQ-WMZOPIPTSA-N 0 3 298.430 3.956 20 30 CHEDHN Cc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1Cl ZINC000185898877 333151433 /nfs/dbraw/zinc/15/14/33/333151433.db2.gz QPSDOEIWDAIFPE-JSGCOSHPSA-N 0 3 262.784 3.820 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H]2C2CCCC2)c1F ZINC000219518316 333151697 /nfs/dbraw/zinc/15/16/97/333151697.db2.gz STVYZHRYAHWZJE-INIZCTEOSA-N 0 3 272.367 3.852 20 30 CHEDHN CCCc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000187118011 333168297 /nfs/dbraw/zinc/16/82/97/333168297.db2.gz WXYHIGDLCGSFDX-UHFFFAOYSA-N 0 3 264.372 3.801 20 30 CHEDHN C=CCC[C@@H](CC)NCc1nc2cc(C)ccc2n1C ZINC000187575733 333172493 /nfs/dbraw/zinc/17/24/93/333172493.db2.gz RKGMZWQXPPLYHR-CQSZACIVSA-N 0 3 271.408 3.716 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)cc1F ZINC000191973156 333227732 /nfs/dbraw/zinc/22/77/32/333227732.db2.gz XVPNYJGHSWRVSW-KRWDZBQOSA-N 0 3 280.346 3.687 20 30 CHEDHN C(#Cc1ccccc1)CN1CC[C@H](c2ccccc2)C1 ZINC000191973091 333227779 /nfs/dbraw/zinc/22/77/79/333227779.db2.gz XCFKUMLPQDUCGQ-IBGZPJMESA-N 0 3 261.368 3.528 20 30 CHEDHN N#Cc1ccc(CNC2(c3ccccc3)CCC2)cc1F ZINC000192081691 333229123 /nfs/dbraw/zinc/22/91/23/333229123.db2.gz ZXEGGGPLNPXOKQ-UHFFFAOYSA-N 0 3 280.346 3.866 20 30 CHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCCC[C@@H]1C ZINC000522035539 333231149 /nfs/dbraw/zinc/23/11/49/333231149.db2.gz XZLQCIGMXPEUDB-HOTGVXAUSA-N 0 3 291.435 3.976 20 30 CHEDHN CC(C)CCOC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000193107128 333242754 /nfs/dbraw/zinc/24/27/54/333242754.db2.gz ZVANIOGZYIYMJO-UHFFFAOYSA-N 0 3 286.419 3.585 20 30 CHEDHN C[C@@H](NCC(C)(C)CCC#N)c1cc(F)ccc1F ZINC000229674878 333307548 /nfs/dbraw/zinc/30/75/48/333307548.db2.gz BBEFHRFLXPIZQM-LLVKDONJSA-N 0 3 266.335 3.945 20 30 CHEDHN Cc1cccc(CN(C)Cc2ccc(F)c(C#N)c2)c1 ZINC000229749126 333309224 /nfs/dbraw/zinc/30/92/24/333309224.db2.gz ACYPSKKXUZUJRN-UHFFFAOYSA-N 0 3 268.335 3.638 20 30 CHEDHN C=CCSCCNCc1ccc(F)c(C(F)(F)F)c1 ZINC000229808832 333309886 /nfs/dbraw/zinc/30/98/86/333309886.db2.gz OZKWHQXZFAGUIX-UHFFFAOYSA-N 0 3 293.329 3.853 20 30 CHEDHN C=CCCOCCNc1cc(C)nc2ccccc21 ZINC000229870410 333310564 /nfs/dbraw/zinc/31/05/64/333310564.db2.gz ZJGYMWIZJYWGDN-UHFFFAOYSA-N 0 3 256.349 3.548 20 30 CHEDHN CCC[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000230649602 333319471 /nfs/dbraw/zinc/31/94/71/333319471.db2.gz QMLOTLAUHLMBHR-OAHLLOKOSA-N 0 3 260.356 3.852 20 30 CHEDHN CN(Cc1ccc(C#N)cc1F)[C@H]1CCc2ccccc2C1 ZINC000524424170 333361816 /nfs/dbraw/zinc/36/18/16/333361816.db2.gz ZJBWMEPONQNNJS-SFHVURJKSA-N 0 3 294.373 3.687 20 30 CHEDHN COc1cc(CN[C@@H](C)c2ccc(C)s2)ccc1C#N ZINC000234938074 333363252 /nfs/dbraw/zinc/36/32/52/333363252.db2.gz YJACMFBKWVANPG-LBPRGKRZSA-N 0 3 286.400 3.788 20 30 CHEDHN C/C(=C/c1ccccc1)CNCc1cccc(C#N)c1 ZINC000236703256 333374857 /nfs/dbraw/zinc/37/48/57/333374857.db2.gz OUUQNPVZDGMNHQ-GDNBJRDFSA-N 0 3 262.356 3.751 20 30 CHEDHN C=CCN1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000524989091 333395016 /nfs/dbraw/zinc/39/50/16/333395016.db2.gz SVZGXIXRQXPROO-ZDUSSCGKSA-N 0 3 279.811 3.789 20 30 CHEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCc1ccc(C#N)o1 ZINC000173859706 335142127 /nfs/dbraw/zinc/14/21/27/335142127.db2.gz MHZGENNZFXXQAW-QGZVFWFLSA-N 0 3 286.350 3.647 20 30 CHEDHN C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000173925077 335143756 /nfs/dbraw/zinc/14/37/56/335143756.db2.gz LOFIIFKBZXZSDZ-MPGHIAIKSA-N 0 3 286.419 3.804 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000037214610 333515694 /nfs/dbraw/zinc/51/56/94/333515694.db2.gz CNDTZLQZBCMGFF-CQSZACIVSA-N 0 3 250.345 3.718 20 30 CHEDHN Cc1ccccc1OCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000173981427 335145289 /nfs/dbraw/zinc/14/52/89/335145289.db2.gz YKRFIOKXDYEXFA-HNNXBMFYSA-N 0 3 280.371 3.596 20 30 CHEDHN COc1cccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000037771489 333538409 /nfs/dbraw/zinc/53/84/09/333538409.db2.gz YVRSGFGOESRNLF-UONOGXRCSA-N 0 3 280.371 3.979 20 30 CHEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000538193316 333578435 /nfs/dbraw/zinc/57/84/35/333578435.db2.gz BPSTXFRFZUFOKC-GHMZBOCLSA-N 0 3 288.218 3.829 20 30 CHEDHN C[C@H](COc1cccc(F)c1)N[C@H](C)c1cccc(C#N)c1 ZINC000538397104 333588624 /nfs/dbraw/zinc/58/86/24/333588624.db2.gz PZLYMDLEQZXLKB-ZIAGYGMSSA-N 0 3 298.361 3.815 20 30 CHEDHN C=C(C)COCCN[C@@H]1CC(C)(C)c2ccccc21 ZINC000539063465 333653852 /nfs/dbraw/zinc/65/38/52/333653852.db2.gz GIULWSDVLBWLEX-MRXNPFEDSA-N 0 3 259.393 3.591 20 30 CHEDHN Cc1cccc(C(C)(C)CNCc2ccc(C#N)o2)c1 ZINC000174323166 335152752 /nfs/dbraw/zinc/15/27/52/335152752.db2.gz ZMJZWRDSPSSHPL-UHFFFAOYSA-N 0 3 268.360 3.527 20 30 CHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000540398030 333728406 /nfs/dbraw/zinc/72/84/06/333728406.db2.gz ZOLFMCILIHRUKC-LSDHHAIUSA-N 0 3 287.403 3.885 20 30 CHEDHN C=CCCC[C@@H](C)N[C@H](COC)c1ccc(CC)o1 ZINC000541628617 333784858 /nfs/dbraw/zinc/78/48/58/333784858.db2.gz HQCPMLROHRVZGW-UKRRQHHQSA-N 0 3 265.397 3.864 20 30 CHEDHN C[C@H](NCc1ccccc1C#N)[C@H]1Oc2ccccc2[C@H]1C ZINC000541688152 333786826 /nfs/dbraw/zinc/78/68/26/333786826.db2.gz SQNULMHLABQLBK-TYILLQQXSA-N 0 3 292.382 3.601 20 30 CHEDHN CCCOc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000542851763 333845369 /nfs/dbraw/zinc/84/53/69/333845369.db2.gz ZQOZKJCMDKBGBJ-UHFFFAOYSA-N 0 3 272.392 3.601 20 30 CHEDHN CN(CCSc1ccccc1)Cc1ccc(C#N)cc1 ZINC000074348904 334004426 /nfs/dbraw/zinc/00/44/26/334004426.db2.gz MDECMRHUTUPBFO-UHFFFAOYSA-N 0 3 282.412 3.782 20 30 CHEDHN C=C(C)COc1cc(CN(CC)C2CC2)ccc1OC ZINC000133336391 334038457 /nfs/dbraw/zinc/03/84/57/334038457.db2.gz HEIWDENTBDFIEO-UHFFFAOYSA-N 0 3 275.392 3.634 20 30 CHEDHN C=C(C)C[C@H](C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000546639557 334042921 /nfs/dbraw/zinc/04/29/21/334042921.db2.gz LHBOTYAQUYEQMG-ZDUSSCGKSA-N 0 3 285.391 3.868 20 30 CHEDHN C=CCSCCNCc1ccc(C(F)F)cc1 ZINC000236130936 334044650 /nfs/dbraw/zinc/04/46/50/334044650.db2.gz ZZZVLFHAPJDDNM-UHFFFAOYSA-N 0 3 257.349 3.633 20 30 CHEDHN C=CCOc1ccccc1CNC[C@](C)(O)CCC(C)C ZINC000236618026 334059222 /nfs/dbraw/zinc/05/92/22/334059222.db2.gz DQIYOFBXBLPQRY-GOSISDBHSA-N 0 3 291.435 3.528 20 30 CHEDHN C=CC[C@@H](C)NCc1ccc(F)cc1Br ZINC000136164862 334148507 /nfs/dbraw/zinc/14/85/07/334148507.db2.gz XIDXSIJMLHKXOZ-SECBINFHSA-N 0 3 272.161 3.642 20 30 CHEDHN C[C@@H](c1cccc(F)c1)N(C)Cc1cccc(C#N)c1 ZINC000079389832 334153187 /nfs/dbraw/zinc/15/31/87/334153187.db2.gz BIZTXDIVXLAPRI-ZDUSSCGKSA-N 0 3 268.335 3.890 20 30 CHEDHN N#CC1(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000548934509 334180846 /nfs/dbraw/zinc/18/08/46/334180846.db2.gz HXTPAHQTVKGEHB-BJWYYQGGSA-N 0 3 266.388 3.701 20 30 CHEDHN Cc1ccc(C)c(OCCN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000549167342 334186973 /nfs/dbraw/zinc/18/69/73/334186973.db2.gz ZLHHWJXQOQPADD-INIZCTEOSA-N 0 3 294.398 3.905 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(CC)cn1 ZINC000549366454 334191498 /nfs/dbraw/zinc/19/14/98/334191498.db2.gz LSKGJXLTNSSHMM-UHFFFAOYSA-N 0 3 280.415 3.875 20 30 CHEDHN CCO[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C1(C)C ZINC000245874509 334222407 /nfs/dbraw/zinc/22/24/07/334222407.db2.gz JVPPQJGCLUGWAG-IXDOHACOSA-N 0 3 286.419 3.825 20 30 CHEDHN C=CCC[C@H](NC[C@](C)(O)[C@H](C)CC)c1ccco1 ZINC000552043766 334280491 /nfs/dbraw/zinc/28/04/91/334280491.db2.gz BDSDASUEANMPTP-YCPHGPKFSA-N 0 3 265.397 3.674 20 30 CHEDHN C=CCC[C@H](NC[C@@H](C)N1CCC[C@@H](C)C1)c1ccco1 ZINC000552224216 334305159 /nfs/dbraw/zinc/30/51/59/334305159.db2.gz OBZBRNVVIPIJBG-ZACQAIPSSA-N 0 3 290.451 3.997 20 30 CHEDHN C=CCC[C@H](N[C@H](CO)Cc1ccc(C)cc1)c1ccco1 ZINC000552283880 334312959 /nfs/dbraw/zinc/31/29/59/334312959.db2.gz LSCLDPGSJAGTGA-ROUUACIJSA-N 0 3 299.414 3.789 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000249289000 334331341 /nfs/dbraw/zinc/33/13/41/334331341.db2.gz QHXLMGOATICDMG-XJKSGUPXSA-N 0 3 297.427 3.955 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000249288997 334331406 /nfs/dbraw/zinc/33/14/06/334331406.db2.gz QHXLMGOATICDMG-CZUORRHYSA-N 0 3 297.427 3.955 20 30 CHEDHN C=CCCCN[C@H](COC)c1cccc(Cl)c1F ZINC000554087933 334410719 /nfs/dbraw/zinc/41/07/19/334410719.db2.gz GUFRGVBKFMXEIG-CYBMUJFWSA-N 0 3 271.763 3.722 20 30 CHEDHN C=CCC(C)(C)CN[C@H](COC)c1ccc(F)c(F)c1 ZINC000556217019 334500606 /nfs/dbraw/zinc/50/06/06/334500606.db2.gz LFKKLKUUGKNVNV-OAHLLOKOSA-N 0 3 283.362 3.844 20 30 CHEDHN Cc1cc(CN2CCC(CCC#N)CC2)cc(C)c1O ZINC000566248029 334638368 /nfs/dbraw/zinc/63/83/68/334638368.db2.gz IJCHAGGNFXBWGZ-UHFFFAOYSA-N 0 3 272.392 3.525 20 30 CHEDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000268811569 334716582 /nfs/dbraw/zinc/71/65/82/334716582.db2.gz OBEYGNFIGLLSHI-DJJJIMSYSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000576366647 335195408 /nfs/dbraw/zinc/19/54/08/335195408.db2.gz DSPJZUWMZWEZQN-OAHLLOKOSA-N 0 3 261.413 3.977 20 30 CHEDHN C[C@@H](CNCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000576386195 335196817 /nfs/dbraw/zinc/19/68/17/335196817.db2.gz GUPRTRCANWFQJX-NSHDSACASA-N 0 3 282.309 3.702 20 30 CHEDHN C[C@H]1CCC[C@H](C)C1NCc1ccc(F)cc1C#N ZINC000577202751 335321819 /nfs/dbraw/zinc/32/18/19/335321819.db2.gz KHFMFHCFOXVMFW-RYUDHWBXSA-N 0 3 260.356 3.612 20 30 CHEDHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(C#N)cn1 ZINC000577506487 335361493 /nfs/dbraw/zinc/36/14/93/335361493.db2.gz XROZJLRTOQMXDP-ZFWWWQNUSA-N 0 3 271.408 3.600 20 30 CHEDHN N#CCC[C@H](C#N)CNC1CCC2(CCCCC2)CC1 ZINC000577723196 335392345 /nfs/dbraw/zinc/39/23/45/335392345.db2.gz JXNVEVZYPBJPFA-OAHLLOKOSA-N 0 3 273.424 3.913 20 30 CHEDHN C[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1 ZINC000179395011 335491615 /nfs/dbraw/zinc/49/16/15/335491615.db2.gz XCOCRGSVJBWHCS-IFXJQAMLSA-N 0 3 276.383 3.971 20 30 CHEDHN CC[C@@H](NCCCC(C)(C)C#N)c1c(C)noc1C ZINC000182394927 335816307 /nfs/dbraw/zinc/81/63/07/335816307.db2.gz UCRSVAQFKIMFOA-CYBMUJFWSA-N 0 3 263.385 3.662 20 30 CHEDHN COc1ccc([C@@H](CCC#N)NCCCC2CC2)cc1 ZINC000581111507 336009554 /nfs/dbraw/zinc/00/95/54/336009554.db2.gz HFOCOJMJOMLPES-QGZVFWFLSA-N 0 3 272.392 3.820 20 30 CHEDHN N#CCC[C@H](C#N)CNC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000581300593 336041832 /nfs/dbraw/zinc/04/18/32/336041832.db2.gz WEVMWXZLVZYPJA-QRQLOZEOSA-N 0 3 295.430 3.994 20 30 CHEDHN C[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000383356403 336107759 /nfs/dbraw/zinc/10/77/59/336107759.db2.gz QMRMCVRKOMPDNZ-YGRLFVJLSA-N 0 3 293.208 3.599 20 30 CHEDHN CN(Cc1ccc(Br)cc1C#N)C1CCCC1 ZINC000383369217 336108021 /nfs/dbraw/zinc/10/80/21/336108021.db2.gz WOLRUOKQRFQZID-UHFFFAOYSA-N 0 3 293.208 3.695 20 30 CHEDHN CCCN(Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000384409465 336124373 /nfs/dbraw/zinc/12/43/73/336124373.db2.gz UMYIKUMUOLMURN-UHFFFAOYSA-N 0 3 294.398 3.979 20 30 CHEDHN COc1cc2ccccc2cc1CN1CCC(CC#N)CC1 ZINC000581706778 336132157 /nfs/dbraw/zinc/13/21/57/336132157.db2.gz DKMGQAKZPPGZDL-UHFFFAOYSA-N 0 3 294.398 3.974 20 30 CHEDHN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1cccc(C#N)c1 ZINC000344340159 533980742 /nfs/dbraw/zinc/98/07/42/533980742.db2.gz XUTSNPZURRYRBD-SCLBCKFNSA-N 0 3 277.371 3.755 20 30 CHEDHN C[C@@H]1C[C@H](c2cccnc2)N(Cc2cccc(C#N)c2)C1 ZINC000336146695 534005565 /nfs/dbraw/zinc/00/55/65/534005565.db2.gz PILBDDHZGHACTI-RDTXWAMCSA-N 0 3 277.371 3.536 20 30 CHEDHN CCOc1ccc(O)c(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000263703865 521155507 /nfs/dbraw/zinc/15/55/07/521155507.db2.gz RTJOOXGQWIXTPL-ZDUSSCGKSA-N 0 3 296.370 3.513 20 30 CHEDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000263703865 521155511 /nfs/dbraw/zinc/15/55/11/521155511.db2.gz RTJOOXGQWIXTPL-ZDUSSCGKSA-N 0 3 296.370 3.513 20 30 CHEDHN CCC(CC)N(CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000289485515 521549885 /nfs/dbraw/zinc/54/98/85/521549885.db2.gz SDXGLTYVOQHYLW-UHFFFAOYSA-N 0 3 298.390 3.619 20 30 CHEDHN CCS[C@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC000112089118 521730399 /nfs/dbraw/zinc/73/03/99/521730399.db2.gz KJCXDHMSQBIZDR-HNNXBMFYSA-N 0 3 292.423 3.805 20 30 CHEDHN CC[C@H](NCc1ccc([C@@H](C)O)cc1)c1ccc(C#N)cc1 ZINC000278259861 522650463 /nfs/dbraw/zinc/65/04/63/522650463.db2.gz NMRJRFIKKUXQSG-KUHUBIRLSA-N 0 3 294.398 3.852 20 30 CHEDHN CC[C@H](NCc1ccc([C@H](C)O)cc1)c1ccc(C#N)cc1 ZINC000278259862 522652637 /nfs/dbraw/zinc/65/26/37/522652637.db2.gz NMRJRFIKKUXQSG-LIRRHRJNSA-N 0 3 294.398 3.852 20 30 CHEDHN CC[C@@H](NCc1ccsc1)c1ccc(C#N)cc1 ZINC000278276872 522887540 /nfs/dbraw/zinc/88/75/40/522887540.db2.gz PQOXANOUAUWQRQ-OAHLLOKOSA-N 0 3 256.374 3.861 20 30 CHEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1 ZINC000130158990 523122611 /nfs/dbraw/zinc/12/26/11/523122611.db2.gz PQNRREJKICJRDN-KRWDZBQOSA-N 0 3 265.360 3.536 20 30 CHEDHN COc1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000299392829 524009687 /nfs/dbraw/zinc/00/96/87/524009687.db2.gz RWAVJTAJEMWKIM-CQSZACIVSA-N 0 3 280.371 3.760 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1C#N ZINC000087823780 524074287 /nfs/dbraw/zinc/07/42/87/524074287.db2.gz KEHZLTGJMCLTQT-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H](C)C1 ZINC000340924317 524295697 /nfs/dbraw/zinc/29/56/97/524295697.db2.gz WTFKMXSZWLODAE-STQMWFEESA-N 0 3 260.356 3.565 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1C#N ZINC000338352866 524767271 /nfs/dbraw/zinc/76/72/71/524767271.db2.gz JDMSYSWNRVNMSV-AWEZNQCLSA-N 0 3 275.355 3.589 20 30 CHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCC2 ZINC000037748789 525534104 /nfs/dbraw/zinc/53/41/04/525534104.db2.gz YDLWAWXOEAADJQ-CQSZACIVSA-N 0 3 276.383 3.898 20 30 CHEDHN Cc1ccsc1[C@@H](C)NCc1cccc(C#N)c1 ZINC000070091576 525868813 /nfs/dbraw/zinc/86/88/13/525868813.db2.gz FQDOGYUMFDTFMC-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCCCC3)O2)s1 ZINC000276616209 526622552 /nfs/dbraw/zinc/62/25/52/526622552.db2.gz JTTHGHRSNHLDCT-CYBMUJFWSA-N 0 3 290.432 3.591 20 30 CHEDHN C=CCc1cc(CN2CCC[C@@H]2CC)cc(OC)c1O ZINC000352647652 527236302 /nfs/dbraw/zinc/23/63/02/527236302.db2.gz ZPKKHINVZSDDMF-HNNXBMFYSA-N 0 3 275.392 3.504 20 30 CHEDHN C=CCC[C@@H](NCc1c[nH]c2nccnc12)c1ccccc1 ZINC000356109108 527449043 /nfs/dbraw/zinc/44/90/43/527449043.db2.gz QCZAABFQNVPXEE-MRXNPFEDSA-N 0 3 292.386 3.707 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1CCCS1)c1ccco1 ZINC000353395651 527485468 /nfs/dbraw/zinc/48/54/68/527485468.db2.gz QMIRRUGXASJVRC-STQMWFEESA-N 0 3 251.395 3.772 20 30 CHEDHN CCCN(Cc1ccc(C#N)o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000353749572 528135124 /nfs/dbraw/zinc/13/51/24/528135124.db2.gz VNVKNHJWZXLURD-HZPDHXFCSA-N 0 3 290.407 3.567 20 30 CHEDHN CCOc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353410270 528656499 /nfs/dbraw/zinc/65/64/99/528656499.db2.gz GUEZFXZBURSIJE-LJQANCHMSA-N 0 3 292.382 3.734 20 30 CHEDHN CCN(C(=O)C(C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000347063840 529033100 /nfs/dbraw/zinc/03/31/00/529033100.db2.gz HTZDXPSPZPQRAR-NWDGAFQWSA-N 0 3 270.332 3.502 20 30 CHEDHN Cc1nc2ccc(Nc3ccccc3CC#N)cc2[nH]1 ZINC001213075218 1125489261 /nfs/dbraw/zinc/48/92/61/1125489261.db2.gz JNKOTNRJEHAKEU-UHFFFAOYSA-N 0 3 262.316 3.681 20 30 CHEDHN C=C(C)CN(CCCC1CCC1)Cc1ccc(CO)o1 ZINC000660539626 1120996016 /nfs/dbraw/zinc/99/60/16/1120996016.db2.gz VKAIYMCQLRDQGZ-UHFFFAOYSA-N 0 3 277.408 3.730 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1cnccc1C(F)(F)F ZINC000700781365 1121119007 /nfs/dbraw/zinc/11/90/07/1121119007.db2.gz SMRKIKGBPVWRHB-SNVBAGLBSA-N 0 3 285.313 3.518 20 30 CHEDHN C=CCOc1ccccc1CNCC1(C(F)(F)F)CC1 ZINC000512913354 1121640795 /nfs/dbraw/zinc/64/07/95/1121640795.db2.gz OLTVTPUURHPVBV-UHFFFAOYSA-N 0 3 285.309 3.684 20 30 CHEDHN C=CCCCCCN(C)Cc1cnc(F)c(C)c1 ZINC001180199526 1121966528 /nfs/dbraw/zinc/96/65/28/1121966528.db2.gz URHPHBLBYMNZJI-UHFFFAOYSA-N 0 3 250.361 3.707 20 30 CHEDHN C=CCN(C[C@H](OC)c1ccc(Cl)cc1)C1CC1 ZINC000514137346 1122381342 /nfs/dbraw/zinc/38/13/42/1122381342.db2.gz FIHMQLAGGWSUBC-HNNXBMFYSA-N 0 3 265.784 3.678 20 30 CHEDHN CCN(CCC#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437586164 1122645117 /nfs/dbraw/zinc/64/51/17/1122645117.db2.gz XRKPIYXFYBHGDX-DLBZAZTESA-N 0 3 256.393 3.732 20 30 CHEDHN C=CCOCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000338916773 1123218533 /nfs/dbraw/zinc/21/85/33/1123218533.db2.gz UQBNHWHCEXAQJT-UHFFFAOYSA-N 0 3 265.784 3.507 20 30 CHEDHN CC(C)[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000444771985 1124063159 /nfs/dbraw/zinc/06/31/59/1124063159.db2.gz LPOOXTGWXWMUAN-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN C#C[C@H](N[C@@H]1CCO[C@H](CC)C1)c1ccc(Cl)cc1 ZINC000824414911 1131469212 /nfs/dbraw/zinc/46/92/12/1131469212.db2.gz DQYWNBCZAKKTHH-OAGGEKHMSA-N 0 3 277.795 3.562 20 30 CHEDHN CCCC1(CNCc2cc(C#N)cnc2Cl)CCC1 ZINC000877087819 1125007928 /nfs/dbraw/zinc/00/79/28/1125007928.db2.gz TVAPNYYRJRPNTE-UHFFFAOYSA-N 0 3 277.799 3.667 20 30 CHEDHN C#CCCCCCCN[C@@H](C)c1c(F)cncc1F ZINC000877521171 1125038907 /nfs/dbraw/zinc/03/89/07/1125038907.db2.gz RWOTZARQSYHWSU-LBPRGKRZSA-N 0 3 266.335 3.594 20 30 CHEDHN C=CC(C)(C)CCCNCc1cc(C#N)cnc1Cl ZINC000877804226 1125079277 /nfs/dbraw/zinc/07/92/77/1125079277.db2.gz QIPYBSVQODTGJV-UHFFFAOYSA-N 0 3 277.799 3.689 20 30 CHEDHN Cc1ccccc1SC[C@H](C)CN[C@@H](C)CC#N ZINC000878819683 1125181227 /nfs/dbraw/zinc/18/12/27/1125181227.db2.gz AOMPMJZXLKWXED-OCCSQVGLSA-N 0 3 262.422 3.615 20 30 CHEDHN N#CCCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000399267553 1125338845 /nfs/dbraw/zinc/33/88/45/1125338845.db2.gz BLZMOGCTJMLQSE-UHFFFAOYSA-N 0 3 262.784 3.856 20 30 CHEDHN C=CCCCCCCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001209443594 1134022921 /nfs/dbraw/zinc/02/29/21/1134022921.db2.gz WHEZQPJIXGYJCJ-IYBDPMFKSA-N 0 3 251.414 3.766 20 30 CHEDHN C#C[C@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1 ZINC001205980618 1125560531 /nfs/dbraw/zinc/56/05/31/1125560531.db2.gz QCTXEYKAAFLAHL-SPOWBLRKSA-N 0 3 257.352 3.524 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1C[C@@]12CCOC2 ZINC000885931561 1125627418 /nfs/dbraw/zinc/62/74/18/1125627418.db2.gz VLZVGOUQPVVCEW-SWLSCSKDSA-N 0 3 297.851 3.816 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1C[C@]12CCOC2 ZINC000885931562 1125626779 /nfs/dbraw/zinc/62/67/79/1125626779.db2.gz VLZVGOUQPVVCEW-WFASDCNBSA-N 0 3 297.851 3.816 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1C[C@@]12CCOC2 ZINC000885931560 1125626814 /nfs/dbraw/zinc/62/68/14/1125626814.db2.gz VLZVGOUQPVVCEW-IUODEOHRSA-N 0 3 297.851 3.816 20 30 CHEDHN Cc1n[nH]c(CN[C@H](CCCC#N)c2ccccc2)c1C ZINC000886124900 1125652985 /nfs/dbraw/zinc/65/29/85/1125652985.db2.gz DBDUVSMKQGIDCZ-MRXNPFEDSA-N 0 3 282.391 3.551 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCOc3c(Cl)cccc32)C1 ZINC000248816546 1125674069 /nfs/dbraw/zinc/67/40/69/1125674069.db2.gz KZEBNSZANQZIGX-XUJVJEKNSA-N 0 3 290.794 3.836 20 30 CHEDHN CC[C@@H](C#N)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000249117486 1125679265 /nfs/dbraw/zinc/67/92/65/1125679265.db2.gz OQFBZYXVCSTHSV-HIFRSBDPSA-N 0 3 271.408 3.761 20 30 CHEDHN CCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127663015 1125698688 /nfs/dbraw/zinc/69/86/88/1125698688.db2.gz MWKCKRFVUUBEEZ-HNNXBMFYSA-N 0 3 286.375 3.613 20 30 CHEDHN C=CCC1(O)CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000886776464 1125716781 /nfs/dbraw/zinc/71/67/81/1125716781.db2.gz HGPPHUGABCWING-ONEGZZNKSA-N 0 3 291.822 3.756 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1cccc(C#N)c1 ZINC000192354862 1125764186 /nfs/dbraw/zinc/76/41/86/1125764186.db2.gz POJREAPUMLKRCS-FZKQIMNGSA-N 0 3 292.382 3.992 20 30 CHEDHN CCOc1ccc(C)c(CN2CCC[C@H](CC#N)C2)c1 ZINC001238708451 1131235257 /nfs/dbraw/zinc/23/52/57/1131235257.db2.gz NZHZBOGYFIHHPS-OAHLLOKOSA-N 0 3 272.392 3.519 20 30 CHEDHN C#CCN(Cc1cnc(Cl)c(C)c1)C1CCCCC1 ZINC000769146451 1129892570 /nfs/dbraw/zinc/89/25/70/1129892570.db2.gz ZSHUYHUJKLWDJG-UHFFFAOYSA-N 0 3 276.811 3.811 20 30 CHEDHN C=CCN(C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000772382278 1130021108 /nfs/dbraw/zinc/02/11/08/1130021108.db2.gz PNQLPOYQFAWRHZ-CQSZACIVSA-N 0 3 286.202 3.677 20 30 CHEDHN C=CC[C@H](CC)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788814284 1130215860 /nfs/dbraw/zinc/21/58/60/1130215860.db2.gz KXJCFMBAXXVFRK-GXTWGEPZSA-N 0 3 265.784 3.856 20 30 CHEDHN C[C@H](NCC1(C#N)CC1)C1(c2ccccc2)CCCC1 ZINC000481845857 1126722372 /nfs/dbraw/zinc/72/23/72/1126722372.db2.gz WXMYQKPVNMVSDB-HNNXBMFYSA-N 0 3 268.404 3.780 20 30 CHEDHN C=CCN(CCCO[C@H]1CCCCO1)Cc1cccs1 ZINC000338262255 1126728181 /nfs/dbraw/zinc/72/81/81/1126728181.db2.gz HWIOYHRMZVPKHE-INIZCTEOSA-N 0 3 295.448 3.669 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000151391036 1126753975 /nfs/dbraw/zinc/75/39/75/1126753975.db2.gz HRUHFTYHYLTNOO-GOSISDBHSA-N 0 3 294.423 3.678 20 30 CHEDHN CC(C)(CCC#N)CNCc1coc(-c2ccccc2)n1 ZINC000174475322 1126770675 /nfs/dbraw/zinc/77/06/75/1126770675.db2.gz JHJOVIWGIXEFFY-UHFFFAOYSA-N 0 3 283.375 3.761 20 30 CHEDHN Fc1ccc(CNCCC(F)(F)F)cc1C(F)(F)F ZINC000162589019 1126781773 /nfs/dbraw/zinc/78/17/73/1126781773.db2.gz KZTBZHWZWYWDIX-UHFFFAOYSA-N 0 3 289.194 3.887 20 30 CHEDHN C=C(C)CN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000161033564 1126795364 /nfs/dbraw/zinc/79/53/64/1126795364.db2.gz UZTUGQLUWOUOJK-SFHVURJKSA-N 0 3 267.372 3.950 20 30 CHEDHN N#Cc1cc(CNC2(c3ccccc3)CCC2)ccc1F ZINC000177510156 1126801696 /nfs/dbraw/zinc/80/16/96/1126801696.db2.gz QLQSTCMKAKYQMN-UHFFFAOYSA-N 0 3 280.346 3.866 20 30 CHEDHN C=CCN(CC(=O)NC1CCCCC1)CC1CCCCC1 ZINC000484573900 1126828705 /nfs/dbraw/zinc/82/87/05/1126828705.db2.gz SAMMVZRRCKUWDQ-UHFFFAOYSA-N 0 3 292.467 3.504 20 30 CHEDHN C=CCN1CCC(NC(=O)[C@](C)(CC)CCCCC)CC1 ZINC000780614748 1130686723 /nfs/dbraw/zinc/68/67/23/1130686723.db2.gz GZAHQBYUOKTUAD-GOSISDBHSA-N 0 3 294.483 3.750 20 30 CHEDHN CC1/C(=C\c2cccc(C3CCCC3)c2)C(=O)c2ncnn21 ZINC000905085060 1126889354 /nfs/dbraw/zinc/88/93/54/1126889354.db2.gz LUAZWEVTOZYFDC-HMHNVIDESA-N 0 3 293.370 3.777 20 30 CHEDHN C#CCCCCN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183793541 1126891615 /nfs/dbraw/zinc/89/16/15/1126891615.db2.gz SEEDEHCFNRVNDQ-GOSISDBHSA-N 0 3 282.362 3.703 20 30 CHEDHN C#CCCCCN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183793526 1126891713 /nfs/dbraw/zinc/89/17/13/1126891713.db2.gz SEEDEHCFNRVNDQ-SFHVURJKSA-N 0 3 282.362 3.703 20 30 CHEDHN C#CCCCCN[C@H](C)c1csc(C(C)C)n1 ZINC000186419356 1126906863 /nfs/dbraw/zinc/90/68/63/1126906863.db2.gz NQTFFEKXPYHLBM-GFCCVEGCSA-N 0 3 250.411 3.721 20 30 CHEDHN N#CCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485859060 1126958344 /nfs/dbraw/zinc/95/83/44/1126958344.db2.gz LUVLSJLCQIRORH-GVDBMIGSSA-N 0 3 254.377 3.558 20 30 CHEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(OCC#N)cc1 ZINC000271419071 1127079317 /nfs/dbraw/zinc/07/93/17/1127079317.db2.gz QRXLYAAEOWDFFC-SFHVURJKSA-N 0 3 295.386 3.567 20 30 CHEDHN C=CCOc1cccc(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000348933129 1127135782 /nfs/dbraw/zinc/13/57/82/1127135782.db2.gz HTYFGPIGIIWUQF-LJQANCHMSA-N 0 3 294.398 3.984 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccnc1 ZINC000588203900 1127181535 /nfs/dbraw/zinc/18/15/35/1127181535.db2.gz SQAMIGYYSYHNHP-GOSISDBHSA-N 0 3 277.371 3.599 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000351815782 1127210333 /nfs/dbraw/zinc/21/03/33/1127210333.db2.gz NUDAZPXMOZCZCH-NSHDSACASA-N 0 3 250.411 3.639 20 30 CHEDHN CC(C)[C@@H](C)N(Cc1cccc(F)c1C#N)C1CC1 ZINC000589820534 1127238494 /nfs/dbraw/zinc/23/84/94/1127238494.db2.gz WCMCBESKPSOTIC-GFCCVEGCSA-N 0 3 260.356 3.706 20 30 CHEDHN C=CCN(Cc1ccccc1F)CC1CC(OCC)C1 ZINC000286188103 1127261940 /nfs/dbraw/zinc/26/19/40/1127261940.db2.gz ZSOHSXVEIFSBDH-UHFFFAOYSA-N 0 3 277.383 3.629 20 30 CHEDHN C[C@H](CN1CCC(CC#N)CC1)c1cc(F)cc(F)c1 ZINC000590648962 1127266451 /nfs/dbraw/zinc/26/64/51/1127266451.db2.gz KCMQYOKFYXNQTK-GFCCVEGCSA-N 0 3 278.346 3.694 20 30 CHEDHN C=CCCCN(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000353739834 1127273789 /nfs/dbraw/zinc/27/37/89/1127273789.db2.gz OPVTWIPGMWATJA-UHFFFAOYSA-N 0 3 283.419 3.887 20 30 CHEDHN C=Cn1cc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353912178 1127277937 /nfs/dbraw/zinc/27/79/37/1127277937.db2.gz DTWIJAXBEMTHGO-KRWDZBQOSA-N 0 3 280.375 3.508 20 30 CHEDHN COc1cc(C)ccc1[C@@H](C)NCC(C)(C)CC#N ZINC000591243105 1127292268 /nfs/dbraw/zinc/29/22/68/1127292268.db2.gz WCHDVLZPXDRZRY-CYBMUJFWSA-N 0 3 260.381 3.594 20 30 CHEDHN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cc(C)n1 ZINC000591531456 1127307905 /nfs/dbraw/zinc/30/79/05/1127307905.db2.gz YEYDZNMOSXEIGS-IBGZPJMESA-N 0 3 291.398 3.737 20 30 CHEDHN CC1(C)C[C@H](c2ccccc2)N(Cc2ccnc(C#N)c2)C1 ZINC000591855650 1127324453 /nfs/dbraw/zinc/32/44/53/1127324453.db2.gz RNUQNFTZPHDMQC-GOSISDBHSA-N 0 3 291.398 3.926 20 30 CHEDHN CCC1(CC)[C@H](N(C)Cc2cc(C#N)cs2)C[C@@H]1OC ZINC000355204745 1127324937 /nfs/dbraw/zinc/32/49/37/1127324937.db2.gz HXJNNRQIRHQYJN-CABCVRRESA-N 0 3 292.448 3.645 20 30 CHEDHN C=C(C)CN(Cc1ccn(C)c1)Cc1ccccc1 ZINC000355227540 1127327170 /nfs/dbraw/zinc/32/71/70/1127327170.db2.gz UNZLUMZGNQQEJU-UHFFFAOYSA-N 0 3 254.377 3.603 20 30 CHEDHN Cc1ccccc1C1(NCc2ccc(C#N)cc2)CC1 ZINC000592137643 1127340198 /nfs/dbraw/zinc/34/01/98/1127340198.db2.gz KYHGYZMKBAIXMS-UHFFFAOYSA-N 0 3 262.356 3.646 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)CC12CCC2 ZINC000357018621 1127386707 /nfs/dbraw/zinc/38/67/07/1127386707.db2.gz ALNKNPJVSKBMBN-ZDUSSCGKSA-N 0 3 272.367 3.709 20 30 CHEDHN C=CC[C@H]1N(Cc2cnc([C@@H](C)O)s2)CCCC1(C)C ZINC000289850657 1127385147 /nfs/dbraw/zinc/38/51/47/1127385147.db2.gz VKTLJYCVBJKOLW-TZMCWYRMSA-N 0 3 294.464 3.763 20 30 CHEDHN C[C@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCCC1 ZINC000593653432 1127392725 /nfs/dbraw/zinc/39/27/25/1127392725.db2.gz KTHWKGCAHFRRJT-CYBMUJFWSA-N 0 3 276.811 3.945 20 30 CHEDHN CC[C@@H](Cc1cccs1)NCC1(C#N)CCCC1 ZINC000593653459 1127393186 /nfs/dbraw/zinc/39/31/86/1127393186.db2.gz LQROTIIEHAWCMA-ZDUSSCGKSA-N 0 3 262.422 3.743 20 30 CHEDHN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000593653274 1127393256 /nfs/dbraw/zinc/39/32/56/1127393256.db2.gz HFQMCQGTAXPGJX-UAGQMJEPSA-N 0 3 268.404 3.852 20 30 CHEDHN C=CCC[C@H](NCc1ccnc(OC)c1)c1ccccc1 ZINC000358104800 1127402928 /nfs/dbraw/zinc/40/29/28/1127402928.db2.gz YXZFCLJIIFYLJS-KRWDZBQOSA-N 0 3 282.387 3.887 20 30 CHEDHN C=C(C)COCCN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000358295172 1127413477 /nfs/dbraw/zinc/41/34/77/1127413477.db2.gz YZTAXBDJIQBBHC-OAHLLOKOSA-N 0 3 295.810 3.736 20 30 CHEDHN C=C(C)COCCN[C@@H](CC)c1cc(Cl)ccc1OC ZINC000358295223 1127413660 /nfs/dbraw/zinc/41/36/60/1127413660.db2.gz ZPHJILBIHPSQAC-HNNXBMFYSA-N 0 3 297.826 3.982 20 30 CHEDHN CC[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1F ZINC000594508792 1127419475 /nfs/dbraw/zinc/41/94/75/1127419475.db2.gz WGFQOKCYORUVSG-XJKCOSOUSA-N 0 3 260.356 3.949 20 30 CHEDHN C=C(CC)CN(C)[C@H](C)c1sc(CC)nc1C ZINC000358509935 1127424570 /nfs/dbraw/zinc/42/45/70/1127424570.db2.gz NVIFIVSOJHTKJY-GFCCVEGCSA-N 0 3 252.427 3.973 20 30 CHEDHN Cc1nc(C)c(CNC(C)(C)c2cccc(C#N)c2)s1 ZINC000594970583 1127437397 /nfs/dbraw/zinc/43/73/97/1127437397.db2.gz YXJWQRGCRISEAU-UHFFFAOYSA-N 0 3 285.416 3.657 20 30 CHEDHN C=CCCSCCNCc1sccc1Cl ZINC000594960844 1127440736 /nfs/dbraw/zinc/44/07/36/1127440736.db2.gz XJDZMZVUTFYQHB-UHFFFAOYSA-N 0 3 261.843 3.800 20 30 CHEDHN CC[C@H](N[C@H](c1ccccc1)[C@@H](C)O)c1ccc(C#N)cc1 ZINC000595103848 1127453087 /nfs/dbraw/zinc/45/30/87/1127453087.db2.gz OCOKZDKKNUXEGL-CCKFTAQKSA-N 0 3 294.398 3.721 20 30 CHEDHN COC[C@H](CC(C)(C)C)NCC1(C#N)CCCCC1 ZINC000595090585 1127454015 /nfs/dbraw/zinc/45/40/15/1127454015.db2.gz IIXUBZMRERTXHL-AWEZNQCLSA-N 0 3 266.429 3.501 20 30 CHEDHN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1ccc(C#N)cc1F ZINC000595090731 1127454156 /nfs/dbraw/zinc/45/41/56/1127454156.db2.gz FMCLPNAXFKVOGR-ZANVPECISA-N 0 3 282.309 3.639 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000595087831 1127454187 /nfs/dbraw/zinc/45/41/87/1127454187.db2.gz FGFBMUPXDRNXOA-KZULUSFZSA-N 0 3 278.355 3.602 20 30 CHEDHN COc1ccccc1C[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595092231 1127454867 /nfs/dbraw/zinc/45/48/67/1127454867.db2.gz ZVROTQRJAKEKRV-OAHLLOKOSA-N 0 3 286.419 3.690 20 30 CHEDHN C[C@@H](CCc1ccco1)NCC1(C#N)CCCCC1 ZINC000595092154 1127454875 /nfs/dbraw/zinc/45/48/75/1127454875.db2.gz XYLQLPFBYPNXDE-AWEZNQCLSA-N 0 3 260.381 3.664 20 30 CHEDHN C[C@@H](CC#N)N(C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595342865 1127458651 /nfs/dbraw/zinc/45/86/51/1127458651.db2.gz ARQHGNCNEMGUFY-ZMSDIMECSA-N 0 3 256.393 3.804 20 30 CHEDHN C[C@@H](C#N)CN(C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595301056 1127459832 /nfs/dbraw/zinc/45/98/32/1127459832.db2.gz HYDNYYSJNTYOFY-ZMSDIMECSA-N 0 3 256.393 3.662 20 30 CHEDHN CO[C@H](CN1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000595622888 1127468342 /nfs/dbraw/zinc/46/83/42/1127468342.db2.gz FJIZICUHSOVFNK-CZUORRHYSA-N 0 3 292.810 3.653 20 30 CHEDHN CC[C@H](OCCN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595622883 1127468433 /nfs/dbraw/zinc/46/84/33/1127468433.db2.gz FHXZHAREMSKOGT-WMZOPIPTSA-N 0 3 286.419 3.780 20 30 CHEDHN C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595613427 1127470356 /nfs/dbraw/zinc/47/03/56/1127470356.db2.gz CQAMJACIQONTEP-OLZOCXBDSA-N 0 3 294.345 3.975 20 30 CHEDHN N#CC[C@H]1CCCN(CCSc2ccc(F)cc2)C1 ZINC000595612667 1127470591 /nfs/dbraw/zinc/47/05/91/1127470591.db2.gz ZRRMKSKJTZRPKB-CYBMUJFWSA-N 0 3 278.396 3.543 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(C)nc1C ZINC000360044508 1127487958 /nfs/dbraw/zinc/48/79/58/1127487958.db2.gz FSRHABJERPXLMA-UHFFFAOYSA-N 0 3 280.415 3.929 20 30 CHEDHN N#CCc1ccc(CN2Cc3ccccc3C3(CC3)C2)cc1 ZINC000360703560 1127507185 /nfs/dbraw/zinc/50/71/85/1127507185.db2.gz OEXHYCXTZZEDDH-UHFFFAOYSA-N 0 3 288.394 3.800 20 30 CHEDHN CC1(C)CCc2cc(CN3CCC[C@@H](CC#N)C3)ccc2O1 ZINC000597173946 1127531157 /nfs/dbraw/zinc/53/11/57/1127531157.db2.gz OGRCOPJSXOUKFE-HNNXBMFYSA-N 0 3 298.430 3.916 20 30 CHEDHN Cc1cccc(-c2n[nH]cc2CN2CCC[C@H](CC#N)C2)c1 ZINC000597173527 1127531385 /nfs/dbraw/zinc/53/13/85/1127531385.db2.gz JRCXZSXOASGXSW-OAHLLOKOSA-N 0 3 294.402 3.511 20 30 CHEDHN C[C@H](CNCC1(C#N)CCCCC1)c1ccccc1 ZINC000597227009 1127534950 /nfs/dbraw/zinc/53/49/50/1127534950.db2.gz ZKHFNBYDAUPSBF-OAHLLOKOSA-N 0 3 256.393 3.854 20 30 CHEDHN C[C@H](CCc1ccc(O)cc1)NCc1cccc(F)c1C#N ZINC000602003119 1127556804 /nfs/dbraw/zinc/55/68/04/1127556804.db2.gz REOXAGVFDLEBCD-CYBMUJFWSA-N 0 3 298.361 3.514 20 30 CHEDHN Cn1cc(CN2CCCC3(CCCCC3)CC2)cc1C#N ZINC000361605121 1127576289 /nfs/dbraw/zinc/57/62/89/1127576289.db2.gz VIBZPIWOYJOUOA-UHFFFAOYSA-N 0 3 285.435 3.833 20 30 CHEDHN C[C@@H](CCC#N)CN(C)Cc1ccccc1Br ZINC000602435982 1127579107 /nfs/dbraw/zinc/57/91/07/1127579107.db2.gz XBFKUHSQTAVMCP-LBPRGKRZSA-N 0 3 295.224 3.821 20 30 CHEDHN Cc1oc2ccccc2c1CCNCc1ccc(C#N)o1 ZINC000361740626 1127585282 /nfs/dbraw/zinc/58/52/82/1127585282.db2.gz JVQOQCKNGWAVFB-UHFFFAOYSA-N 0 3 280.327 3.538 20 30 CHEDHN C[C@H](CCC#N)CNCc1c(F)cccc1Cl ZINC000602524586 1127590565 /nfs/dbraw/zinc/59/05/65/1127590565.db2.gz MTEMLBVHTBLGSX-SNVBAGLBSA-N 0 3 254.736 3.509 20 30 CHEDHN CC[C@@]1(C)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000361839861 1127593404 /nfs/dbraw/zinc/59/34/04/1127593404.db2.gz MSLKPKXGCDCHSL-INIZCTEOSA-N 0 3 260.356 3.709 20 30 CHEDHN C[C@H](CCc1c[nH]c2ccccc12)NCC1(C#N)CCC1 ZINC000602696778 1127605001 /nfs/dbraw/zinc/60/50/01/1127605001.db2.gz GGPNMPPXQVSWPU-CQSZACIVSA-N 0 3 281.403 3.772 20 30 CHEDHN C[C@@H](CCC#N)CNC1(c2c(F)cccc2F)CCC1 ZINC000602729974 1127610946 /nfs/dbraw/zinc/61/09/46/1127610946.db2.gz LFASHXNPSDMKRG-LBPRGKRZSA-N 0 3 278.346 3.873 20 30 CHEDHN C/C(=C\c1ccccc1)CN(C)CC1(CC#N)CC1 ZINC000602820365 1127616746 /nfs/dbraw/zinc/61/67/46/1127616746.db2.gz JZGUDAWYHPSESZ-NTCAYCPXSA-N 0 3 254.377 3.716 20 30 CHEDHN CN(CC1CCC(C(F)(F)F)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602979467 1127623213 /nfs/dbraw/zinc/62/32/13/1127623213.db2.gz DQGUYNDLUWVCTO-GNRIBBGQSA-N 0 3 288.357 3.979 20 30 CHEDHN CCS[C@@H]1CC[C@H](N(C)Cc2cc(C#N)ccc2F)C1 ZINC000362383767 1127631528 /nfs/dbraw/zinc/63/15/28/1127631528.db2.gz BFZBMJNBISBPHK-LSDHHAIUSA-N 0 3 292.423 3.803 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccsc2C(F)(F)F)C1 ZINC000598974706 1127648370 /nfs/dbraw/zinc/64/83/70/1127648370.db2.gz FSEVPASFWGHWFY-WPRPVWTQSA-N 0 3 274.311 3.549 20 30 CHEDHN CCC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)OCC ZINC000599059690 1127653805 /nfs/dbraw/zinc/65/38/05/1127653805.db2.gz JXWPGYPESXTTNE-JSGCOSHPSA-N 0 3 278.371 3.553 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2csc(C(F)(F)F)c2)C1 ZINC000599087563 1127656639 /nfs/dbraw/zinc/65/66/39/1127656639.db2.gz KPAXJDSELTZHPV-GXSJLCMTSA-N 0 3 288.338 3.939 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2csc(C(F)(F)F)c2)C1 ZINC000599087564 1127656814 /nfs/dbraw/zinc/65/68/14/1127656814.db2.gz KPAXJDSELTZHPV-KOLCDFICSA-N 0 3 288.338 3.939 20 30 CHEDHN Cc1ccc(CN2CCC(c3ccncc3)CC2)cc1C#N ZINC000599388266 1127670554 /nfs/dbraw/zinc/67/05/54/1127670554.db2.gz FOFGLFJMDRJZDB-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000599529778 1127678948 /nfs/dbraw/zinc/67/89/48/1127678948.db2.gz PMPVNQBDICMNFP-GFCCVEGCSA-N 0 3 293.794 3.525 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000599528416 1127678125 /nfs/dbraw/zinc/67/81/25/1127678125.db2.gz CUNJYHLHIUWSIE-LBPRGKRZSA-N 0 3 293.794 3.525 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCCC(F)(F)CC1 ZINC000599553328 1127680631 /nfs/dbraw/zinc/68/06/31/1127680631.db2.gz ZYYZVXXQVBDQFS-GFCCVEGCSA-N 0 3 264.319 3.740 20 30 CHEDHN C/C=C/C[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000599692796 1127687344 /nfs/dbraw/zinc/68/73/44/1127687344.db2.gz XRALEJJHXAYSMU-YWVDXFKGSA-N 0 3 260.406 3.798 20 30 CHEDHN CC1(C)CC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000594004175 1127768754 /nfs/dbraw/zinc/76/87/54/1127768754.db2.gz WSVRRMUCCRLYHS-ZDUSSCGKSA-N 0 3 293.208 3.599 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc(N(C)C)c1 ZINC000607724181 1127825614 /nfs/dbraw/zinc/82/56/14/1127825614.db2.gz UQSBEJBEWXKMHW-UHFFFAOYSA-N 0 3 280.415 3.941 20 30 CHEDHN C[C@H](CCC#N)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000411626234 1127867857 /nfs/dbraw/zinc/86/78/57/1127867857.db2.gz ZGLSTIZFGHTBKE-MNOVXSKESA-N 0 3 262.319 3.589 20 30 CHEDHN CC1(C)CN(CCC2(C#N)CCCCC2)[C@@H]1[C@@H]1CCCO1 ZINC000411752938 1127872602 /nfs/dbraw/zinc/87/26/02/1127872602.db2.gz OSTQWQCSQMIYEA-JKSUJKDBSA-N 0 3 290.451 3.740 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccccc1O ZINC000374267142 1127882345 /nfs/dbraw/zinc/88/23/45/1127882345.db2.gz DGKNPZFFPBRVSL-QZTJIDSGSA-N 0 3 292.382 3.664 20 30 CHEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000608976623 1127896821 /nfs/dbraw/zinc/89/68/21/1127896821.db2.gz CTXAJNXQWYJTAM-CQSZACIVSA-N 0 3 282.362 3.933 20 30 CHEDHN C=CCC(CC=C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412557840 1127915622 /nfs/dbraw/zinc/91/56/22/1127915622.db2.gz JVRANOQWNIIJKN-UHFFFAOYSA-N 0 3 290.382 3.594 20 30 CHEDHN C[C@@H]1CCCCN1c1cccc(NCCCCC#N)n1 ZINC001168429579 1127921621 /nfs/dbraw/zinc/92/16/21/1127921621.db2.gz VBQIUVYFSCFBOW-CQSZACIVSA-N 0 3 272.396 3.566 20 30 CHEDHN C=CCCC[C@H](C)N[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000539510248 1127927210 /nfs/dbraw/zinc/92/72/10/1127927210.db2.gz SIHNJWSNJUHKNT-LSDHHAIUSA-N 0 3 298.434 3.971 20 30 CHEDHN CC(C)C[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000539821436 1127942729 /nfs/dbraw/zinc/94/27/29/1127942729.db2.gz IPHRCJAIUFJMDW-ZDUSSCGKSA-N 0 3 262.422 3.878 20 30 CHEDHN Cc1cccc(OCCN(C)Cc2ccc(F)c(C#N)c2)c1 ZINC000468276150 1128001300 /nfs/dbraw/zinc/00/13/00/1128001300.db2.gz HGKANJPLMDLCAX-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN C=CCCCNCc1c(F)cccc1Br ZINC000308908229 1128016468 /nfs/dbraw/zinc/01/64/68/1128016468.db2.gz QIBBPGVVBXFFBT-UHFFFAOYSA-N 0 3 272.161 3.644 20 30 CHEDHN C=CCN(CCc1ccccc1F)Cc1cccc(C#N)c1 ZINC000469095484 1128035243 /nfs/dbraw/zinc/03/52/43/1128035243.db2.gz UAPNXBQANDFGNW-UHFFFAOYSA-N 0 3 294.373 3.928 20 30 CHEDHN CCC(CC)N(Cc1cn2ccccc2c1C#N)C1CC1 ZINC000609144390 1128050392 /nfs/dbraw/zinc/05/03/92/1128050392.db2.gz UPVOFPKPZRBCDI-UHFFFAOYSA-N 0 3 281.403 3.964 20 30 CHEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)[C@H]1c1ccccc1 ZINC000542279797 1128060694 /nfs/dbraw/zinc/06/06/94/1128060694.db2.gz MPXSUBUTWSXCIL-HNAYVOBHSA-N 0 3 276.383 3.946 20 30 CHEDHN C=CCOCCCN(CC)Cc1ccccc1Cl ZINC000470716296 1128074986 /nfs/dbraw/zinc/07/49/86/1128074986.db2.gz BGOVEWGGPBFEPK-UHFFFAOYSA-N 0 3 267.800 3.755 20 30 CHEDHN C[C@@H](NCCOC1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271951031 1128084857 /nfs/dbraw/zinc/08/48/57/1128084857.db2.gz OLSGXIVDWXSGBU-CYBMUJFWSA-N 0 3 290.382 3.697 20 30 CHEDHN Cc1cc(CNCc2ccc(Cl)s2)ccc1C#N ZINC000443986086 1128111144 /nfs/dbraw/zinc/11/11/44/1128111144.db2.gz ZFTBEEJMLXXLHG-UHFFFAOYSA-N 0 3 276.792 3.871 20 30 CHEDHN CC1(C)CCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000492897079 1128115932 /nfs/dbraw/zinc/11/59/32/1128115932.db2.gz WXNXTESRZNVSCS-AWEZNQCLSA-N 0 3 262.784 3.880 20 30 CHEDHN Cc1cccc2c1OCC[C@H]2N[C@@H](C)CC(C)(C)C#N ZINC000924884355 1128115944 /nfs/dbraw/zinc/11/59/44/1128115944.db2.gz CAYIUVAZTGDEKF-DZGCQCFKSA-N 0 3 272.392 3.737 20 30 CHEDHN CCC#C[C@H](C)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000653805913 1128126011 /nfs/dbraw/zinc/12/60/11/1128126011.db2.gz CSTAXQOEZOJEOK-HNNXBMFYSA-N 0 3 293.414 3.611 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccsc2)cc1 ZINC000800889746 1128127307 /nfs/dbraw/zinc/12/73/07/1128127307.db2.gz WNONSFDJKAXZTL-OLZOCXBDSA-N 0 3 286.400 3.890 20 30 CHEDHN C#CC[C@@H](N[C@H](C)C1(Br)CC1)c1ccccc1 ZINC000925634017 1128135038 /nfs/dbraw/zinc/13/50/38/1128135038.db2.gz HRDUIKMAJQZTFW-TZMCWYRMSA-N 0 3 292.220 3.657 20 30 CHEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000272171266 1128136494 /nfs/dbraw/zinc/13/64/94/1128136494.db2.gz DGLHIMPGIVSGLX-AWEZNQCLSA-N 0 3 262.356 3.898 20 30 CHEDHN COC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000926438175 1128172914 /nfs/dbraw/zinc/17/29/14/1128172914.db2.gz HYTNUPXNCUZRLC-SWLSCSKDSA-N 0 3 294.826 3.945 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cnn(C2CCC2)c1 ZINC000926625200 1128184186 /nfs/dbraw/zinc/18/41/86/1128184186.db2.gz BJLJLYGAZJASNP-CQSZACIVSA-N 0 3 294.402 3.525 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)C2(Cl)CC2)c1 ZINC000925412711 1128191405 /nfs/dbraw/zinc/19/14/05/1128191405.db2.gz CBLCVUPOSRWZTE-JSGCOSHPSA-N 0 3 292.810 3.617 20 30 CHEDHN C#CCN1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000761969462 1128257756 /nfs/dbraw/zinc/25/77/56/1128257756.db2.gz HATDEBTYUFLKJT-UHFFFAOYSA-N 0 3 267.294 3.518 20 30 CHEDHN COCCN(CCCCC1(C#N)CCC1)Cc1ccco1 ZINC000929257804 1128266078 /nfs/dbraw/zinc/26/60/78/1128266078.db2.gz QOAJUWJTKKBVLV-UHFFFAOYSA-N 0 3 290.407 3.592 20 30 CHEDHN C=CCN(C/C=C/c1ccncc1)Cc1ccccc1 ZINC000495077027 1128228767 /nfs/dbraw/zinc/22/87/67/1128228767.db2.gz CBLBHIPSPZCNLI-RMKNXTFCSA-N 0 3 264.372 3.783 20 30 CHEDHN CCC[C@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001257329481 1128238666 /nfs/dbraw/zinc/23/86/66/1128238666.db2.gz YWVNQIQOOFIWAT-AWEZNQCLSA-N 0 3 274.383 3.871 20 30 CHEDHN CC[C@H](NCc1cncc(C#N)c1)c1ccc(C)cc1 ZINC000930182376 1128304526 /nfs/dbraw/zinc/30/45/26/1128304526.db2.gz HYKHMVNWWMOQBA-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN C=CCN(C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H](C)COC ZINC000930931321 1128341005 /nfs/dbraw/zinc/34/10/05/1128341005.db2.gz UVHLTNPFUMBRBE-NUEKZKHPSA-N 0 3 295.373 3.558 20 30 CHEDHN CC[C@H](NCc1cncc(C#N)c1)c1cc(C)ccc1C ZINC000931261557 1128355044 /nfs/dbraw/zinc/35/50/44/1128355044.db2.gz BLOGZQIOCGUFAX-SFHVURJKSA-N 0 3 279.387 3.811 20 30 CHEDHN C[C@@H]1CCN(Cc2cncc(C#N)c2)[C@@H]1c1ccccc1 ZINC000931746693 1128380268 /nfs/dbraw/zinc/38/02/68/1128380268.db2.gz KOVUIJDXUXDZBY-KDOFPFPSSA-N 0 3 277.371 3.536 20 30 CHEDHN CC[C@H](N[C@H](C)CCC#N)c1cc(F)ccc1OC ZINC000932475099 1128411462 /nfs/dbraw/zinc/41/14/62/1128411462.db2.gz RZVCBFCHOVFWNA-RISCZKNCSA-N 0 3 264.344 3.567 20 30 CHEDHN CN(CCc1ccc(F)c(F)c1)Cc1cc(C#N)cs1 ZINC000933776098 1128442532 /nfs/dbraw/zinc/44/25/32/1128442532.db2.gz YIOSGKPYVGLHHW-UHFFFAOYSA-N 0 3 292.354 3.572 20 30 CHEDHN Clc1cccc(C#CCN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934694936 1128466438 /nfs/dbraw/zinc/46/64/38/1128466438.db2.gz JQZCUIWKLOLJIZ-GOSISDBHSA-N 0 3 296.801 3.827 20 30 CHEDHN Cc1cc(CN[C@H](c2ccncc2)C2CC2)ccc1C#N ZINC000934699368 1128467087 /nfs/dbraw/zinc/46/70/87/1128467087.db2.gz WIJVVDAWFRKDBU-SFHVURJKSA-N 0 3 277.371 3.503 20 30 CHEDHN N#Cc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000040477312 1128521873 /nfs/dbraw/zinc/52/18/73/1128521873.db2.gz BKAFSFOXOLLYOG-UHFFFAOYSA-N 0 3 290.366 3.553 20 30 CHEDHN C[C@H]1CN(CCOc2ccccc2C#N)Cc2ccccc21 ZINC000918734844 1128569544 /nfs/dbraw/zinc/56/95/44/1128569544.db2.gz GEWBIKCXJQLKCC-HNNXBMFYSA-N 0 3 292.382 3.556 20 30 CHEDHN C=CCN(CCc1ccccc1)CCC(C)(C)C#N ZINC000131329213 1128613990 /nfs/dbraw/zinc/61/39/90/1128613990.db2.gz ZZBJYCNFXRHENF-UHFFFAOYSA-N 0 3 256.393 3.657 20 30 CHEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC000130668398 1128615809 /nfs/dbraw/zinc/61/58/09/1128615809.db2.gz WGCJCSMNGZAQHX-SFHVURJKSA-N 0 3 285.362 3.547 20 30 CHEDHN C=CCCCCN1CCC[C@@H]1c1csc(C)n1 ZINC000573554870 1128656296 /nfs/dbraw/zinc/65/62/96/1128656296.db2.gz FICAIUNBQHMFMQ-CQSZACIVSA-N 0 3 250.411 3.945 20 30 CHEDHN C#CC[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCc2ccccc21 ZINC000778984981 1128674409 /nfs/dbraw/zinc/67/44/09/1128674409.db2.gz OEXZQHYRCCNXSI-SFHVURJKSA-N 0 3 295.357 3.654 20 30 CHEDHN C#CC[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCc2ccccc21 ZINC000778984981 1128674410 /nfs/dbraw/zinc/67/44/10/1128674410.db2.gz OEXZQHYRCCNXSI-SFHVURJKSA-N 0 3 295.357 3.654 20 30 CHEDHN C=CC1CCN(CCOc2ccccc2Cl)CC1 ZINC000600681575 1128677593 /nfs/dbraw/zinc/67/75/93/1128677593.db2.gz VWOSLMBIXWCLNV-UHFFFAOYSA-N 0 3 265.784 3.617 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2ncccc21 ZINC000601278349 1128707966 /nfs/dbraw/zinc/70/79/66/1128707966.db2.gz SCEOTPIOWKVEIZ-OALUTQOASA-N 0 3 289.382 3.608 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccsc2C(F)(F)F)C1 ZINC000601288416 1128708901 /nfs/dbraw/zinc/70/89/01/1128708901.db2.gz XKZILPDLMPDWSG-MWLCHTKSSA-N 0 3 288.338 3.939 20 30 CHEDHN N#CCCCCNCc1c(Cl)cccc1OC(F)F ZINC000609578314 1128718544 /nfs/dbraw/zinc/71/85/44/1128718544.db2.gz AJZSVHYJGVSKRY-UHFFFAOYSA-N 0 3 288.725 3.725 20 30 CHEDHN N#Cc1cc(CN2CCC[C@H]3CCC[C@H]32)ccc1Cl ZINC001238190463 1117818621 /nfs/dbraw/zinc/81/86/21/1117818621.db2.gz CTSCNWFMIBCVKQ-CZUORRHYSA-N 0 3 274.795 3.976 20 30 CHEDHN C=CC(C)(C)CCNCc1csc(-c2ccccn2)n1 ZINC000623592212 1117876627 /nfs/dbraw/zinc/87/66/27/1117876627.db2.gz AZVWTZNNRSDUKK-UHFFFAOYSA-N 0 3 287.432 3.897 20 30 CHEDHN N#Cc1ccc(CNC2CC(c3ccccc3Cl)C2)o1 ZINC000339587800 1117891427 /nfs/dbraw/zinc/89/14/27/1117891427.db2.gz MSMGQWUQELFBPL-UHFFFAOYSA-N 0 3 286.762 3.840 20 30 CHEDHN Cc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000237578283 1128743716 /nfs/dbraw/zinc/74/37/16/1128743716.db2.gz DSDATUCTTKQVKU-OAHLLOKOSA-N 0 3 280.371 3.576 20 30 CHEDHN C=CC1CCN(Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180207472 1117924551 /nfs/dbraw/zinc/92/45/51/1117924551.db2.gz UGTOYOWWQCWMEG-UHFFFAOYSA-N 0 3 287.432 3.671 20 30 CHEDHN C=CCCCN(C)Cc1c(C2CC2)nc2sccn12 ZINC000180342840 1117927481 /nfs/dbraw/zinc/92/74/81/1117927481.db2.gz KKZUCOZOHZPPEH-UHFFFAOYSA-N 0 3 275.421 3.671 20 30 CHEDHN C=CCOCCN[C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623957608 1117961300 /nfs/dbraw/zinc/96/13/00/1117961300.db2.gz OFGLUEIHVIEFDK-SNVBAGLBSA-N 0 3 291.288 3.698 20 30 CHEDHN C#CCCCN1CCC[C@H]1c1ccc(Cl)s1 ZINC001209266012 1118021897 /nfs/dbraw/zinc/02/18/97/1118021897.db2.gz FBNFAXGPWCBVHB-NSHDSACASA-N 0 3 253.798 3.952 20 30 CHEDHN C#CCCCN1CCC[C@@H]1c1ccc(Cl)s1 ZINC001209266009 1118022142 /nfs/dbraw/zinc/02/21/42/1118022142.db2.gz FBNFAXGPWCBVHB-LLVKDONJSA-N 0 3 253.798 3.952 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC2(CCCC2)OC(C)(C)C1 ZINC000615468602 1128751629 /nfs/dbraw/zinc/75/16/29/1128751629.db2.gz HHEWZJRRNRGYEZ-UHFFFAOYSA-N 0 3 298.430 3.790 20 30 CHEDHN C=CCCCCCCN(CCC(=O)OC)Cc1ccco1 ZINC001209436006 1118057789 /nfs/dbraw/zinc/05/77/89/1118057789.db2.gz LYRSJNLKDVUKTC-UHFFFAOYSA-N 0 3 293.407 3.781 20 30 CHEDHN C=CCCCCCCCN1CCC(O)(C(F)(F)F)CC1 ZINC001209438464 1118058561 /nfs/dbraw/zinc/05/85/61/1118058561.db2.gz LUQUMDOXBWDEAX-UHFFFAOYSA-N 0 3 293.373 3.902 20 30 CHEDHN C=CCCCCCCCCN1CCc2nn(C)cc2C1 ZINC001209444837 1118062160 /nfs/dbraw/zinc/06/21/60/1118062160.db2.gz ZZHQDHDTMGPCAU-UHFFFAOYSA-N 0 3 275.440 3.695 20 30 CHEDHN CC#CCN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000119407504 1118093028 /nfs/dbraw/zinc/09/30/28/1118093028.db2.gz GHRFHAYIGOWNHF-LLVKDONJSA-N 0 3 288.391 3.932 20 30 CHEDHN Cc1ccccc1CNCc1cccc(OCCCC#N)c1 ZINC000237742564 1128755948 /nfs/dbraw/zinc/75/59/48/1128755948.db2.gz BBCLRBFOBAIPLM-UHFFFAOYSA-N 0 3 294.398 3.967 20 30 CHEDHN Cc1cc(C#N)ccc1OCCN(C)Cc1ccc(F)cc1 ZINC000615683505 1128758536 /nfs/dbraw/zinc/75/85/36/1128758536.db2.gz JBPWOIYSAVWPGT-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN CN(Cc1coc2ccccc12)Cc1cccc(C#N)c1 ZINC000130754184 1118195743 /nfs/dbraw/zinc/19/57/43/1118195743.db2.gz ZWIGBCXWUFHDJF-UHFFFAOYSA-N 0 3 276.339 3.936 20 30 CHEDHN COc1cc(CNCc2c(C)cc(C#N)cc2C)ccc1C ZINC000921606547 1118204300 /nfs/dbraw/zinc/20/43/00/1118204300.db2.gz QFAFMIYHFMMXRY-UHFFFAOYSA-N 0 3 294.398 3.782 20 30 CHEDHN Cc1cc(C)c(CNCc2csc(C#N)c2)c(C)c1 ZINC000921620267 1118225734 /nfs/dbraw/zinc/22/57/34/1118225734.db2.gz KTWABTOMKOPSGH-UHFFFAOYSA-N 0 3 270.401 3.835 20 30 CHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1 ZINC000131471729 1118290319 /nfs/dbraw/zinc/29/03/19/1118290319.db2.gz FUDJGNHABZCZRF-BLLLJJGKSA-N 0 3 298.386 3.648 20 30 CHEDHN CC(C)(NCc1cc(C#N)cs1)c1cccc(F)c1 ZINC000177704105 1118376063 /nfs/dbraw/zinc/37/60/63/1118376063.db2.gz OHFQJTWVOICQLE-UHFFFAOYSA-N 0 3 274.364 3.784 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000334523241 1118554792 /nfs/dbraw/zinc/55/47/92/1118554792.db2.gz PNPFQXKLHPCYLQ-LIRRHRJNSA-N 0 3 291.398 3.990 20 30 CHEDHN Cc1cncc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000334921030 1118562078 /nfs/dbraw/zinc/56/20/78/1118562078.db2.gz IIGDLTHESSBMCM-KUHUBIRLSA-N 0 3 291.398 3.990 20 30 CHEDHN C#CCC1(NCc2ncccc2Cl)CCCCC1 ZINC000933265153 1118581542 /nfs/dbraw/zinc/58/15/42/1118581542.db2.gz BGZUPJFWIIGKMX-UHFFFAOYSA-N 0 3 262.784 3.551 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N1CCNc1c(F)cc(C#N)cc1F ZINC000341131243 1118603442 /nfs/dbraw/zinc/60/34/42/1118603442.db2.gz UCESVWYBEPAACU-TXEJJXNPSA-N 0 3 293.361 3.511 20 30 CHEDHN N#CC1(CN[C@H]2CCCc3ccccc3C2)CCCCC1 ZINC001203156008 1118611847 /nfs/dbraw/zinc/61/18/47/1118611847.db2.gz OIBLZLQZNFHKNL-SFHVURJKSA-N 0 3 282.431 3.998 20 30 CHEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926190286 1118706756 /nfs/dbraw/zinc/70/67/56/1118706756.db2.gz QJGBVEJLZHLXIF-QWHCGFSZSA-N 0 3 290.455 3.926 20 30 CHEDHN C=CCCN(C)Cc1ccc(Br)s1 ZINC000132367339 1118846986 /nfs/dbraw/zinc/84/69/86/1118846986.db2.gz ICISWOYKUFGFOM-UHFFFAOYSA-N 0 3 260.200 3.519 20 30 CHEDHN N#CCCCOc1cccc(CN2CC(C3CCC3)C2)c1 ZINC000348706965 1118848393 /nfs/dbraw/zinc/84/83/93/1118848393.db2.gz IMNKWQHFHYBBFZ-UHFFFAOYSA-N 0 3 284.403 3.601 20 30 CHEDHN C=C(CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000610805486 1118893586 /nfs/dbraw/zinc/89/35/86/1118893586.db2.gz GYLHYEFFCMPPFC-AWEZNQCLSA-N 0 3 282.343 3.959 20 30 CHEDHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000610829987 1118897330 /nfs/dbraw/zinc/89/73/30/1118897330.db2.gz VRSTZQYOGIBKMG-YJYMSZOUSA-N 0 3 292.382 3.905 20 30 CHEDHN CN(Cc1ccnc(C#N)c1)Cc1cccc2ccccc21 ZINC000610992091 1118917807 /nfs/dbraw/zinc/91/78/07/1118917807.db2.gz XTOIJIGEKVZKCG-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN C[C@@H]1CN(Cc2ccnc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000610994402 1118919276 /nfs/dbraw/zinc/91/92/76/1118919276.db2.gz YXVIQDGVYYEYJL-DNVCBOLYSA-N 0 3 291.398 3.579 20 30 CHEDHN C=C(C)CNCc1ccc(-c2ccncc2)cc1F ZINC000119631430 1118994619 /nfs/dbraw/zinc/99/46/19/1118994619.db2.gz KQIXNQDOTNLNAB-UHFFFAOYSA-N 0 3 256.324 3.553 20 30 CHEDHN CC(C)(C)[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CS1 ZINC000617099087 1128814715 /nfs/dbraw/zinc/81/47/15/1128814715.db2.gz RUSYOFHYCHNJFZ-DZGCQCFKSA-N 0 3 292.423 3.707 20 30 CHEDHN C[C@H](C#N)CN[C@H](CCc1ccccc1)Cc1ccccc1 ZINC000133037274 1119127810 /nfs/dbraw/zinc/12/78/10/1119127810.db2.gz KJEJPNDMEWWGBQ-YLJYHZDGSA-N 0 3 292.426 3.980 20 30 CHEDHN C[C@H](C#N)CN[C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000133036899 1119127953 /nfs/dbraw/zinc/12/79/53/1119127953.db2.gz KJEJPNDMEWWGBQ-XLIONFOSSA-N 0 3 292.426 3.980 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccc(C#N)o2)C1 ZINC000289275230 1119132029 /nfs/dbraw/zinc/13/20/29/1119132029.db2.gz GQUXJHQHOMCECM-CXAGYDPISA-N 0 3 266.344 3.734 20 30 CHEDHN C=CCCC1(CNCc2nccs2)CCCC1 ZINC000657567691 1119187666 /nfs/dbraw/zinc/18/76/66/1119187666.db2.gz VDNQPPFDOPARQY-UHFFFAOYSA-N 0 3 250.411 3.759 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000135688405 1119213028 /nfs/dbraw/zinc/21/30/28/1119213028.db2.gz QGNWEOJFXZUKTC-HNNXBMFYSA-N 0 3 256.374 3.861 20 30 CHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000185764607 1119279268 /nfs/dbraw/zinc/27/92/68/1119279268.db2.gz GDCCPFGAONQANF-GVXVVHGQSA-N 0 3 264.319 3.698 20 30 CHEDHN C=C(C)[C@H](NCCSC)c1ccc(F)c(F)c1 ZINC000187779701 1119310898 /nfs/dbraw/zinc/31/08/98/1119310898.db2.gz YOVAAKQVVVAYDN-ZDUSSCGKSA-N 0 3 257.349 3.535 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2cccs2)cc1 ZINC000156502184 1119360687 /nfs/dbraw/zinc/36/06/87/1119360687.db2.gz LULPDLAVPJCBQA-CYBMUJFWSA-N 0 3 271.385 3.611 20 30 CHEDHN N#CCc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000343555650 1119453082 /nfs/dbraw/zinc/45/30/82/1119453082.db2.gz DBLUIZHYBZXONY-GOSISDBHSA-N 0 3 262.356 3.700 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000343683796 1119487101 /nfs/dbraw/zinc/48/71/01/1119487101.db2.gz IFXJBBTVSDUNBB-ZDUSSCGKSA-N 0 3 295.342 3.512 20 30 CHEDHN CN(Cc1ccc2c(c1)CCC2)Cc1cccc(C#N)c1 ZINC000070498890 1119591177 /nfs/dbraw/zinc/59/11/77/1119591177.db2.gz UYDJXRJGJYVGJM-UHFFFAOYSA-N 0 3 276.383 3.679 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cscn1 ZINC000658060769 1119673659 /nfs/dbraw/zinc/67/36/59/1119673659.db2.gz QEMOQXRPVKWUHI-YNEHKIRRSA-N 0 3 250.411 3.929 20 30 CHEDHN C=CCN(Cc1cccs1)Cc1ccccc1O ZINC000179553822 1119750825 /nfs/dbraw/zinc/75/08/25/1119750825.db2.gz BSOBTZSIOXNPMI-UHFFFAOYSA-N 0 3 259.374 3.642 20 30 CHEDHN C[C@H](CCc1ccccc1)CN1CCC[C@](C)(C#N)C1 ZINC000612406831 1119784258 /nfs/dbraw/zinc/78/42/58/1119784258.db2.gz VCZHBYXAADOGSQ-SJLPKXTDSA-N 0 3 270.420 3.881 20 30 CHEDHN C=CCCCN[C@@H](C)c1ncc(Br)cc1F ZINC000280205427 1119810730 /nfs/dbraw/zinc/81/07/30/1119810730.db2.gz VUCJHEVOPYANDX-VIFPVBQESA-N 0 3 287.176 3.600 20 30 CHEDHN C[C@@H](c1ccccc1)N(C)Cc1ccc(F)c(C#N)c1 ZINC000160555843 1119900721 /nfs/dbraw/zinc/90/07/21/1119900721.db2.gz ZEOYFCHHPDHKRU-ZDUSSCGKSA-N 0 3 268.335 3.890 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1cnc2ccsc2c1 ZINC000414159447 1119920484 /nfs/dbraw/zinc/92/04/84/1119920484.db2.gz BJYHRYAQGWCFAV-NSHDSACASA-N 0 3 273.405 3.887 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000414163381 1119922350 /nfs/dbraw/zinc/92/23/50/1119922350.db2.gz IKLWPEFZDZOFLD-CYBMUJFWSA-N 0 3 278.396 3.892 20 30 CHEDHN Cc1c([C@@H](C)NCC(C)(C)CC#N)cnn1C(C)(C)C ZINC000414165073 1119923096 /nfs/dbraw/zinc/92/30/96/1119923096.db2.gz LDLGOHKWKWWYIH-GFCCVEGCSA-N 0 3 276.428 3.537 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000414172556 1119926469 /nfs/dbraw/zinc/92/64/69/1119926469.db2.gz WDFLHXGSHFFALD-OAHLLOKOSA-N 0 3 284.403 3.962 20 30 CHEDHN C=CCC[C@@H](NCC1(C#N)CCC1)[C@@]1(C)CCCCO1 ZINC000903035112 1120064388 /nfs/dbraw/zinc/06/43/88/1120064388.db2.gz IHHHLSXCHVDIJH-HZPDHXFCSA-N 0 3 276.424 3.564 20 30 CHEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000542699458 1120122041 /nfs/dbraw/zinc/12/20/41/1120122041.db2.gz ICIXJVGKHOCZKG-ZDUSSCGKSA-N 0 3 295.342 3.626 20 30 CHEDHN CN1CC[C@@H](Nc2cccc(F)c2C#N)[C@@H]1c1ccccc1 ZINC000301828701 1120145832 /nfs/dbraw/zinc/14/58/32/1120145832.db2.gz GLQKRUZYYZSPTK-MSOLQXFVSA-N 0 3 295.361 3.555 20 30 CHEDHN CN1CC[C@@H](Nc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000302833155 1120164270 /nfs/dbraw/zinc/16/42/70/1120164270.db2.gz SAZZLABERFQQCL-QZTJIDSGSA-N 0 3 295.361 3.555 20 30 CHEDHN COc1ccc(CNCc2c(C)cc(C#N)cc2C)c(C)c1 ZINC000921854688 1120253528 /nfs/dbraw/zinc/25/35/28/1120253528.db2.gz CBDVKFXSPOPOHR-UHFFFAOYSA-N 0 3 294.398 3.782 20 30 CHEDHN C=CC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111259137 1120257579 /nfs/dbraw/zinc/25/75/79/1120257579.db2.gz VYHORSDQOPLYEQ-LBPRGKRZSA-N 0 3 260.337 3.554 20 30 CHEDHN C#CCCCCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925525359 1120283362 /nfs/dbraw/zinc/28/33/62/1120283362.db2.gz AKAMRNUMFIKSQA-LJQANCHMSA-N 0 3 278.399 3.873 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1csc(Cl)c1 ZINC000309577187 1120329598 /nfs/dbraw/zinc/32/95/98/1120329598.db2.gz PHPVHPKNBOFNQD-SECBINFHSA-N 0 3 254.786 3.746 20 30 CHEDHN CC(C)(C)c1nc(CCNCC#Cc2ccccc2)cs1 ZINC000893257345 1120348171 /nfs/dbraw/zinc/34/81/71/1120348171.db2.gz ZPNSRHGOTJUWIV-UHFFFAOYSA-N 0 3 298.455 3.624 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(CC#N)cc1 ZINC000922209088 1120467039 /nfs/dbraw/zinc/46/70/39/1120467039.db2.gz YDBSHTIAXSZHRH-UHFFFAOYSA-N 0 3 289.382 3.531 20 30 CHEDHN COc1ccccc1[C@@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000695815044 1120504663 /nfs/dbraw/zinc/50/46/63/1120504663.db2.gz JUXUEWRMDPPKTK-QWHCGFSZSA-N 0 3 260.381 3.674 20 30 CHEDHN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1ccc(C#N)o1 ZINC000093531924 1120561731 /nfs/dbraw/zinc/56/17/31/1120561731.db2.gz LGLGXBNPRZXONX-GFCCVEGCSA-N 0 3 288.778 3.868 20 30 CHEDHN C=CC[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccncc1 ZINC000766019959 1120664095 /nfs/dbraw/zinc/66/40/95/1120664095.db2.gz OAARFCFVZIZPJC-CZUORRHYSA-N 0 3 296.370 3.778 20 30 CHEDHN C=C(C)[C@H](NC[C@H](OCC)C1CC1)c1ccc(F)c(F)c1 ZINC000625339253 1120669740 /nfs/dbraw/zinc/66/97/40/1120669740.db2.gz ISBLXOXNBOYCKB-IRXDYDNUSA-N 0 3 295.373 3.987 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)cc1 ZINC000618741982 1128935474 /nfs/dbraw/zinc/93/54/74/1128935474.db2.gz OEYUOPPFRISSLH-KRWDZBQOSA-N 0 3 282.774 3.989 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651822014 1120755112 /nfs/dbraw/zinc/75/51/12/1120755112.db2.gz HBWZZOAFTKDVQR-KYNGSXCRSA-N 0 3 294.398 3.743 20 30 CHEDHN C=C(CC)CNCc1cn(-c2cccc(C)c2)nc1C ZINC000651825291 1120756690 /nfs/dbraw/zinc/75/66/90/1120756690.db2.gz KJTYRVAYGXLOAT-UHFFFAOYSA-N 0 3 269.392 3.545 20 30 CHEDHN CO[C@@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)cc1F ZINC000618795245 1128938850 /nfs/dbraw/zinc/93/88/50/1128938850.db2.gz LNMCSTVUYJJXSU-SCLBCKFNSA-N 0 3 298.361 3.563 20 30 CHEDHN C=CCN(Cc1oc(CCC)nc1C)C(C)(C)C ZINC000661757034 1120809915 /nfs/dbraw/zinc/80/99/15/1120809915.db2.gz BWTMMDYDQPGVGE-UHFFFAOYSA-N 0 3 250.386 3.722 20 30 CHEDHN CCc1ccc(N2CCN(CC(C)(C)CCC#N)CC2)cc1 ZINC000093686484 1120844847 /nfs/dbraw/zinc/84/48/47/1120844847.db2.gz NJDBDCJEEMZTAB-UHFFFAOYSA-N 0 3 299.462 3.701 20 30 CHEDHN C=CCC[C@H](CCC)N[C@@H](c1nc(C)no1)C(C)C ZINC000168084604 1120915112 /nfs/dbraw/zinc/91/51/12/1120915112.db2.gz CNFJEGAMEJVMPR-UONOGXRCSA-N 0 3 265.401 3.800 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H]3CCCC[C@H]32)c1F ZINC000221987621 1120954239 /nfs/dbraw/zinc/95/42/39/1120954239.db2.gz SGFIPONUHRUZBK-CZUORRHYSA-N 0 3 272.367 3.852 20 30 CHEDHN C=CCOCCN(C)Cc1csc2ccccc12 ZINC000338904075 1121064743 /nfs/dbraw/zinc/06/47/43/1121064743.db2.gz MUGBVGIRYPQFMA-UHFFFAOYSA-N 0 3 261.390 3.536 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1N(C)C ZINC000344076269 1121074694 /nfs/dbraw/zinc/07/46/94/1121074694.db2.gz SVTDKBSNVCHBQY-HNNXBMFYSA-N 0 3 293.414 3.817 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000093492144 1128960867 /nfs/dbraw/zinc/96/08/67/1128960867.db2.gz IKYHQYJWWOFBQR-CQSZACIVSA-N 0 3 286.425 3.946 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1cnccc1C(F)(F)F ZINC000700781361 1121118502 /nfs/dbraw/zinc/11/85/02/1121118502.db2.gz SMRKIKGBPVWRHB-JTQLQIEISA-N 0 3 285.313 3.518 20 30 CHEDHN C#C[C@H](NCc1cc2cccc(OC)c2o1)C(C)(C)C ZINC000702248010 1121186475 /nfs/dbraw/zinc/18/64/75/1121186475.db2.gz VHJKMUKYMWCMIZ-HNNXBMFYSA-N 0 3 271.360 3.579 20 30 CHEDHN C[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000638900543 1121366076 /nfs/dbraw/zinc/36/60/76/1121366076.db2.gz QISSRDKKYZKWQH-RISCZKNCSA-N 0 3 299.361 3.541 20 30 CHEDHN N#CCCCCNCc1nc(-c2ccccc2)cs1 ZINC000237818549 1121389421 /nfs/dbraw/zinc/38/94/21/1121389421.db2.gz SXZHNAWMEMXPDD-UHFFFAOYSA-N 0 3 271.389 3.594 20 30 CHEDHN CN1CCC=C(Nc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001175576456 1121394415 /nfs/dbraw/zinc/39/44/15/1121394415.db2.gz KWWDBZXWDGTPGE-UHFFFAOYSA-N 0 3 289.382 3.857 20 30 CHEDHN COCCN(CC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000676557285 1121443551 /nfs/dbraw/zinc/44/35/51/1121443551.db2.gz PWADBMDMMLHVAU-UHFFFAOYSA-N 0 3 291.822 3.583 20 30 CHEDHN C=CCCC[C@@H](NC/C=C(/C)C(=O)OC)c1ccccc1 ZINC001175767173 1121459501 /nfs/dbraw/zinc/45/95/01/1121459501.db2.gz IKEUGQAHABGKJJ-AKMXKPQHSA-N 0 3 287.403 3.793 20 30 CHEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)NCC(C)(C)C#N ZINC000619428868 1128991071 /nfs/dbraw/zinc/99/10/71/1128991071.db2.gz IVXGXAVTVOSJCC-RYUDHWBXSA-N 0 3 264.800 3.971 20 30 CHEDHN C=C(C)CCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000509380044 1121561220 /nfs/dbraw/zinc/56/12/20/1121561220.db2.gz RAPVHNNXEIIVEZ-SFHVURJKSA-N 0 3 266.388 3.859 20 30 CHEDHN C[C@@H](CCc1cccc(C(F)(F)F)c1)NCC1(C#N)CC1 ZINC000619535181 1128995874 /nfs/dbraw/zinc/99/58/74/1128995874.db2.gz AEOXYRMWXAKFBQ-LBPRGKRZSA-N 0 3 296.336 3.920 20 30 CHEDHN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000611300588 1121635183 /nfs/dbraw/zinc/63/51/83/1121635183.db2.gz QXSZBEZCHUXUKG-ZFWWWQNUSA-N 0 3 279.387 3.982 20 30 CHEDHN CCSc1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611389643 1121644694 /nfs/dbraw/zinc/64/46/94/1121644694.db2.gz NQJRJEZIIZEJCE-ZDUSSCGKSA-N 0 3 297.427 3.916 20 30 CHEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(C#N)c1 ZINC000611465811 1121650134 /nfs/dbraw/zinc/65/01/34/1121650134.db2.gz UYVHTSWDGZSHRL-STQMWFEESA-N 0 3 293.345 3.981 20 30 CHEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCC(C)(C)C#N ZINC000611553994 1121655568 /nfs/dbraw/zinc/65/55/68/1121655568.db2.gz AOTVFDKQSOBGAX-GHMZBOCLSA-N 0 3 262.319 3.589 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000619671993 1129002990 /nfs/dbraw/zinc/00/29/90/1129002990.db2.gz GYGNLEHGBUOFIN-HOCLYGCPSA-N 0 3 293.370 3.656 20 30 CHEDHN C=CCC[C@@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001176771752 1121694514 /nfs/dbraw/zinc/69/45/14/1121694514.db2.gz UBGYMUMKWGTCNL-CQSZACIVSA-N 0 3 278.327 3.665 20 30 CHEDHN CCc1ccc2c(c1)CCN(CCC(C)(C)C#N)C2 ZINC001177007783 1121705624 /nfs/dbraw/zinc/70/56/24/1121705624.db2.gz CUEBVASYBQQCCW-UHFFFAOYSA-N 0 3 256.393 3.547 20 30 CHEDHN Cc1ccccc1OCCN(C)Cc1ccc(C#N)cc1C ZINC000614395959 1121710135 /nfs/dbraw/zinc/71/01/35/1121710135.db2.gz FCWNUQODOLHMBY-UHFFFAOYSA-N 0 3 294.398 3.686 20 30 CHEDHN CN1c2ccccc2C(C)(C)C1=CC=NNC1CCCC1 ZINC000727652983 1121730790 /nfs/dbraw/zinc/73/07/90/1121730790.db2.gz ZGZCCIFEFPQXBQ-HMGXJIJLSA-N 0 3 283.419 3.816 20 30 CHEDHN CS[C@@H](C)CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000773760706 1121804183 /nfs/dbraw/zinc/80/41/83/1121804183.db2.gz KGHHZGOTSYRAKS-QWRGUYRKSA-N 0 3 288.372 3.536 20 30 CHEDHN CS[C@H](C)CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000773760704 1121804601 /nfs/dbraw/zinc/80/46/01/1121804601.db2.gz KGHHZGOTSYRAKS-MNOVXSKESA-N 0 3 288.372 3.536 20 30 CHEDHN C=C(CC)CNCc1c(C)nn(-c2ccccc2C)c1C ZINC001178949605 1121833036 /nfs/dbraw/zinc/83/30/36/1121833036.db2.gz HBTJKWBGRJBEOG-UHFFFAOYSA-N 0 3 283.419 3.853 20 30 CHEDHN COc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619749117 1129012640 /nfs/dbraw/zinc/01/26/40/1129012640.db2.gz MIMXXZHYEWUNKV-UHFFFAOYSA-N 0 3 286.762 3.510 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1nccn1C(F)F ZINC000345128752 1121848711 /nfs/dbraw/zinc/84/87/11/1121848711.db2.gz HQWLGRADXLDIBG-LLVKDONJSA-N 0 3 257.328 3.503 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(C(C)(C)C)s1 ZINC000280599083 1121913884 /nfs/dbraw/zinc/91/38/84/1121913884.db2.gz JCYDVMWMCKIOMP-DOMZBBRYSA-N 0 3 294.464 3.511 20 30 CHEDHN Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C#N)cc1 ZINC000815560679 1121962123 /nfs/dbraw/zinc/96/21/23/1121962123.db2.gz MXGKTNZSHFYIAK-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000501254651 1121964438 /nfs/dbraw/zinc/96/44/38/1121964438.db2.gz SGUJJOIEHADNJU-DOTOQJQBSA-N 0 3 284.403 3.721 20 30 CHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccccc2)s1 ZINC000419827250 1121970153 /nfs/dbraw/zinc/97/01/53/1121970153.db2.gz BHRIPCFQMBWNOC-LBPRGKRZSA-N 0 3 299.399 3.686 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(C)c(OC)n1 ZINC001180280840 1121975481 /nfs/dbraw/zinc/97/54/81/1121975481.db2.gz OCCLHJWXJRPPLT-UHFFFAOYSA-N 0 3 296.414 3.629 20 30 CHEDHN N#CC1(CN(CCc2ccccc2F)C2CCCC2)CC1 ZINC000501548753 1121986439 /nfs/dbraw/zinc/98/64/39/1121986439.db2.gz LYDJVQQPYLHFDR-UHFFFAOYSA-N 0 3 286.394 3.917 20 30 CHEDHN CC1(C)CCC[C@H](NCc2cccc(F)c2C#N)C1 ZINC001180942780 1122026148 /nfs/dbraw/zinc/02/61/48/1122026148.db2.gz LMEUXSFFLQHOPM-ZDUSSCGKSA-N 0 3 260.356 3.756 20 30 CHEDHN C#CCN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000774371175 1122157915 /nfs/dbraw/zinc/15/79/15/1122157915.db2.gz QTMBTJFRUGBADO-CYBMUJFWSA-N 0 3 255.283 3.625 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2cccc(OC3CC3)c2F)C1 ZINC001182543338 1122174391 /nfs/dbraw/zinc/17/43/91/1122174391.db2.gz LGVKPDXXKAHRGF-AWEZNQCLSA-N 0 3 287.378 3.602 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001182795498 1122187340 /nfs/dbraw/zinc/18/73/40/1122187340.db2.gz CXBCCWXXBIKRAI-ZDUSSCGKSA-N 0 3 294.389 3.819 20 30 CHEDHN CCCN(Cc1ccccc1O)Cc1cccc(C#N)c1F ZINC000774640493 1122227499 /nfs/dbraw/zinc/22/74/99/1122227499.db2.gz URUQCOKVGMUWLO-UHFFFAOYSA-N 0 3 298.361 3.815 20 30 CHEDHN N#Cc1c(F)cccc1CNC[C@H]1CCC=CCCC1 ZINC001184249995 1122264453 /nfs/dbraw/zinc/26/44/53/1122264453.db2.gz BBHNMGQZFOJIIM-AWEZNQCLSA-N 0 3 272.367 3.923 20 30 CHEDHN C=CCN(C)CCN(CC)c1nc2cc(C)ccc2s1 ZINC001186853399 1122409528 /nfs/dbraw/zinc/40/95/28/1122409528.db2.gz BPDNSZIOMODHKG-UHFFFAOYSA-N 0 3 289.448 3.549 20 30 CHEDHN C=CCO[C@H]1CCN(C/C=C\c2c(C)cc(C)cc2C)C1 ZINC001204961799 1122458671 /nfs/dbraw/zinc/45/86/71/1122458671.db2.gz UWILBLPHZPUZFR-MJRGOJFPSA-N 0 3 285.431 3.902 20 30 CHEDHN C#Cc1ccc(C(=O)NCCP(C(C)C)C(C)C)cc1 ZINC001188742820 1122475816 /nfs/dbraw/zinc/47/58/16/1122475816.db2.gz PSOIRXKWFBYRSY-UHFFFAOYSA-N 0 3 289.359 3.696 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(CC#N)cc1 ZINC000425530611 1122542939 /nfs/dbraw/zinc/54/29/39/1122542939.db2.gz FQEDGBBGXOTGIJ-HNNXBMFYSA-N 0 3 289.382 3.817 20 30 CHEDHN C#CC[C@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775399514 1122545236 /nfs/dbraw/zinc/54/52/36/1122545236.db2.gz RYHCIAPWDCKXIV-STQMWFEESA-N 0 3 268.187 3.534 20 30 CHEDHN CCCCCCCCNC(=O)Nc1cnccc1N(C)C ZINC001191051505 1122566098 /nfs/dbraw/zinc/56/60/98/1122566098.db2.gz SLUJCIRIKIYCQW-UHFFFAOYSA-N 0 3 292.427 3.630 20 30 CHEDHN C=C(C)CN(CC)Cc1cccc(OC)c1OC(C)C ZINC000505886245 1122586031 /nfs/dbraw/zinc/58/60/31/1122586031.db2.gz AXPPGHFMSGLYCX-UHFFFAOYSA-N 0 3 277.408 3.880 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@H]2c2cccn2C)cc1 ZINC000506063909 1122639107 /nfs/dbraw/zinc/63/91/07/1122639107.db2.gz MTRXVMNZWLBTPA-IBGZPJMESA-N 0 3 296.414 3.927 20 30 CHEDHN C#CCN(Cc1cc(Cl)cc(Cl)c1)CC1CC1 ZINC001192305561 1122640061 /nfs/dbraw/zinc/64/00/61/1122640061.db2.gz YBBWENSDBSFFAA-UHFFFAOYSA-N 0 3 268.187 3.839 20 30 CHEDHN CC[C@]1(C)CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000437574884 1122641600 /nfs/dbraw/zinc/64/16/00/1122641600.db2.gz DMTWKAIYNPFARD-QGZVFWFLSA-N 0 3 272.392 3.579 20 30 CHEDHN CCCCCCCCCN1CCOCC12CCC2 ZINC001192379678 1122642761 /nfs/dbraw/zinc/64/27/61/1122642761.db2.gz IBAWGOHOWYNJRW-UHFFFAOYSA-N 0 3 253.430 3.992 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1cc(F)ccc1C ZINC001192654068 1122653884 /nfs/dbraw/zinc/65/38/84/1122653884.db2.gz UMLQZXYWXYAKLE-UHFFFAOYSA-N 0 3 273.351 3.958 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(C3CC3)cc2F)C1 ZINC000425941713 1122670587 /nfs/dbraw/zinc/67/05/87/1122670587.db2.gz CPVMYHWECYHIDP-WBMJQRKESA-N 0 3 272.367 3.875 20 30 CHEDHN CN(Cc1ccc(C#N)cc1F)CC1(c2ccccc2)CC1 ZINC000438270789 1122688812 /nfs/dbraw/zinc/68/88/12/1122688812.db2.gz LZAZKYBIELXTAI-UHFFFAOYSA-N 0 3 294.373 3.861 20 30 CHEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000426121534 1122719385 /nfs/dbraw/zinc/71/93/85/1122719385.db2.gz BPPHMBUSEXTEEO-JQWIXIFHSA-N 0 3 288.218 3.971 20 30 CHEDHN C=CC[C@H](C)NCc1nc2cc(Br)ccc2o1 ZINC000638609392 1122772538 /nfs/dbraw/zinc/77/25/38/1122772538.db2.gz KZGSTAJAMGQGKQ-VIFPVBQESA-N 0 3 295.180 3.645 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC001195946983 1122899384 /nfs/dbraw/zinc/89/93/84/1122899384.db2.gz PJPNKBZPSHNDFA-GFCCVEGCSA-N 0 3 251.320 3.753 20 30 CHEDHN C=CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001195947802 1122899800 /nfs/dbraw/zinc/89/98/00/1122899800.db2.gz YDMSPILIUQJXRZ-UHFFFAOYSA-N 0 3 285.218 3.692 20 30 CHEDHN CCSCC[C@@H](C)N(C)Cc1cc(C#N)cs1 ZINC000093871070 1122963555 /nfs/dbraw/zinc/96/35/55/1122963555.db2.gz PWVZSPXPLUVDLL-LLVKDONJSA-N 0 3 268.451 3.583 20 30 CHEDHN C=CCCCNC1(c2c(F)cccc2F)CCC1 ZINC001196666579 1122929959 /nfs/dbraw/zinc/92/99/59/1122929959.db2.gz FDMGCJNZCWMAMA-UHFFFAOYSA-N 0 3 251.320 3.900 20 30 CHEDHN CSCC[C@H](C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000426995773 1122930687 /nfs/dbraw/zinc/93/06/87/1122930687.db2.gz UECAHZGYHBZKBP-ZDUSSCGKSA-N 0 3 281.852 3.765 20 30 CHEDHN Cc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000507179056 1122933370 /nfs/dbraw/zinc/93/33/70/1122933370.db2.gz GTSPEWQYSQXELB-INIZCTEOSA-N 0 3 294.373 3.995 20 30 CHEDHN C#CCC1(NCc2ccn(C3CCCC3)n2)CCCCC1 ZINC001198084593 1122980888 /nfs/dbraw/zinc/98/08/88/1122980888.db2.gz INQJZVOKFWNQSH-UHFFFAOYSA-N 0 3 285.435 3.814 20 30 CHEDHN CSCC[C@H](C)N(C)CC#Cc1cccc(Cl)c1 ZINC000440607635 1123020682 /nfs/dbraw/zinc/02/06/82/1123020682.db2.gz FQCFWZVSLNNJIA-ZDUSSCGKSA-N 0 3 281.852 3.765 20 30 CHEDHN N#CC1(CN2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000775976668 1123030822 /nfs/dbraw/zinc/03/08/22/1123030822.db2.gz WALMLDDXLUWBLS-MSOLQXFVSA-N 0 3 298.430 3.658 20 30 CHEDHN CC#CCN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776009248 1123036245 /nfs/dbraw/zinc/03/62/45/1123036245.db2.gz IVHZZLYKSIELSN-MRXNPFEDSA-N 0 3 279.383 3.979 20 30 CHEDHN CC#CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776009248 1123036249 /nfs/dbraw/zinc/03/62/49/1123036249.db2.gz IVHZZLYKSIELSN-MRXNPFEDSA-N 0 3 279.383 3.979 20 30 CHEDHN CC#CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776009248 1123036254 /nfs/dbraw/zinc/03/62/54/1123036254.db2.gz IVHZZLYKSIELSN-MRXNPFEDSA-N 0 3 279.383 3.979 20 30 CHEDHN C=CCOc1cccc(CNCc2ccc(OCC)cc2)c1 ZINC001199751367 1123039279 /nfs/dbraw/zinc/03/92/79/1123039279.db2.gz QBIOZPNWGRBAFC-UHFFFAOYSA-N 0 3 297.398 3.940 20 30 CHEDHN CCN(C)c1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000776159211 1123090759 /nfs/dbraw/zinc/09/07/59/1123090759.db2.gz VZCTYMPAEKTQMY-HNNXBMFYSA-N 0 3 293.414 3.865 20 30 CHEDHN CCCCCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001201744578 1123144077 /nfs/dbraw/zinc/14/40/77/1123144077.db2.gz LICUKCCKADOWRL-UHFFFAOYSA-N 0 3 274.383 3.873 20 30 CHEDHN CCCCCCCCCN1CCc2c(cnn2C)C1 ZINC001201852763 1123152458 /nfs/dbraw/zinc/15/24/58/1123152458.db2.gz KLGYAIMPRQPMLF-UHFFFAOYSA-N 0 3 263.429 3.529 20 30 CHEDHN CCCCCCCCCCN1CCN(CCC#N)CC1 ZINC001201874894 1123157037 /nfs/dbraw/zinc/15/70/37/1123157037.db2.gz KQFMWRWENICISA-UHFFFAOYSA-N 0 3 279.472 3.658 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1nccc2ccccc21 ZINC001202243354 1123193414 /nfs/dbraw/zinc/19/34/14/1123193414.db2.gz WWLOCTGDBHTLBV-LJQANCHMSA-N 0 3 299.377 3.884 20 30 CHEDHN Cc1nc(C)c([C@H](C)NCc2ccc(CC#N)cc2)s1 ZINC000399026173 1123208850 /nfs/dbraw/zinc/20/88/50/1123208850.db2.gz JHCVYAJHODPCQY-NSHDSACASA-N 0 3 285.416 3.677 20 30 CHEDHN N#CC(C(=O)[C@H]1CCCC2(CC2)C1)c1nc2ccccc2[nH]1 ZINC000850738541 1123297022 /nfs/dbraw/zinc/29/70/22/1123297022.db2.gz NAUGJYOSOPIXIL-STQMWFEESA-N 0 3 293.370 3.710 20 30 CHEDHN N#CC(C(=O)C1CCC2(CC2)CC1)c1nc2ccccc2[nH]1 ZINC000850739166 1123297596 /nfs/dbraw/zinc/29/75/96/1123297596.db2.gz SYOLAFFYQIBDDQ-ZDUSSCGKSA-N 0 3 293.370 3.710 20 30 CHEDHN CC[C@H]1CCCCCN1Cc1cccc(F)c1C#N ZINC000428241361 1123299212 /nfs/dbraw/zinc/29/92/12/1123299212.db2.gz TVHMDSGZDNAYGO-AWEZNQCLSA-N 0 3 260.356 3.852 20 30 CHEDHN CC(C)COc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442710691 1123335329 /nfs/dbraw/zinc/33/53/29/1123335329.db2.gz CWJXNBWGKSNIJD-ZBFHGGJFSA-N 0 3 272.392 3.503 20 30 CHEDHN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000442773042 1123337333 /nfs/dbraw/zinc/33/73/33/1123337333.db2.gz BUUVBCVGDILGJA-GHJWDPDVSA-N 0 3 278.346 3.944 20 30 CHEDHN CC(C)CCOc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442784465 1123338069 /nfs/dbraw/zinc/33/80/69/1123338069.db2.gz PPZZQCOSLQUVPA-NVXWUHKLSA-N 0 3 286.419 3.893 20 30 CHEDHN COc1cc(CN(C)[C@H](C)c2ccc(F)cc2)ccc1C#N ZINC000442805113 1123339700 /nfs/dbraw/zinc/33/97/00/1123339700.db2.gz XXINFAIOYSTYFB-CYBMUJFWSA-N 0 3 298.361 3.899 20 30 CHEDHN CSc1ccccc1[C@H](C)NCC1(CC#N)CC1 ZINC000442873098 1123344834 /nfs/dbraw/zinc/34/48/34/1123344834.db2.gz ZXXSLLOASNBANE-LBPRGKRZSA-N 0 3 260.406 3.753 20 30 CHEDHN C=C1CCN(Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000338942779 1123400282 /nfs/dbraw/zinc/40/02/82/1123400282.db2.gz PGHAHPVRQLQTKQ-UHFFFAOYSA-N 0 3 281.403 3.548 20 30 CHEDHN C[C@H]1c2ccccc2C[C@H]1NCc1ccc(F)cc1C#N ZINC000852470712 1123406243 /nfs/dbraw/zinc/40/62/43/1123406243.db2.gz YEMIXLHMJYWTSH-KPZWWZAWSA-N 0 3 280.346 3.515 20 30 CHEDHN CC[C@@H](NCCC(C)(C)C#N)c1ccccc1OC ZINC000776604643 1123409846 /nfs/dbraw/zinc/40/98/46/1123409846.db2.gz DCODBLSZZBJDEQ-CQSZACIVSA-N 0 3 260.381 3.676 20 30 CHEDHN CC#CCCN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000157151627 1129122783 /nfs/dbraw/zinc/12/27/83/1129122783.db2.gz HUCYPOYSKSJACG-CYBMUJFWSA-N 0 3 264.438 3.981 20 30 CHEDHN C#CCCOc1ccc(CNCc2ccc(C)c(F)c2)cc1 ZINC000113316524 1123518491 /nfs/dbraw/zinc/51/84/91/1123518491.db2.gz CSTUGGRZBZEPNT-UHFFFAOYSA-N 0 3 297.373 3.826 20 30 CHEDHN CCCc1ccc(CNCc2ccc(C#N)cc2)s1 ZINC000856765550 1123567317 /nfs/dbraw/zinc/56/73/17/1123567317.db2.gz ISSKUINULMUXQX-UHFFFAOYSA-N 0 3 270.401 3.862 20 30 CHEDHN C=CCC[C@@H](N[C@@H]1CC=C(C(=O)OCC)C1)c1ccco1 ZINC000858507643 1123659200 /nfs/dbraw/zinc/65/92/00/1123659200.db2.gz KIGLENFCKNFOIT-HUUCEWRRSA-N 0 3 289.375 3.528 20 30 CHEDHN CC(C)(C)SCCN1CCc2c(CC#N)cccc2C1 ZINC000860109205 1123720291 /nfs/dbraw/zinc/72/02/91/1123720291.db2.gz PHZUOICJPNLTPM-UHFFFAOYSA-N 0 3 288.460 3.642 20 30 CHEDHN N#Cc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000019906735 1123754206 /nfs/dbraw/zinc/75/42/06/1123754206.db2.gz UYVJMEFKCPEPLC-UHFFFAOYSA-N 0 3 290.288 3.867 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000862467068 1123812768 /nfs/dbraw/zinc/81/27/68/1123812768.db2.gz NXCPPBRXSXSEGV-ZDUSSCGKSA-N 0 3 294.345 3.599 20 30 CHEDHN C=CCC[C@@H](O)CNCc1cc(F)c(Cl)cc1Cl ZINC001252589858 1123924078 /nfs/dbraw/zinc/92/40/78/1123924078.db2.gz SDKHFTSJUNQNAC-SNVBAGLBSA-N 0 3 292.181 3.549 20 30 CHEDHN C=CCCOCCNc1ccnc2ccc(C)cc21 ZINC000302229436 1123963489 /nfs/dbraw/zinc/96/34/89/1123963489.db2.gz RIMSGDVEDKKZMG-UHFFFAOYSA-N 0 3 256.349 3.548 20 30 CHEDHN C=CCCC(C)(C)NCc1cccnc1Br ZINC000865634736 1124001015 /nfs/dbraw/zinc/00/10/15/1124001015.db2.gz HSWASRHAINQUGV-UHFFFAOYSA-N 0 3 283.213 3.679 20 30 CHEDHN N#CCCCOc1cccc(CN[C@H]2CCCC[C@H]2F)c1 ZINC000865699301 1124006183 /nfs/dbraw/zinc/00/61/83/1124006183.db2.gz OVUMQUKFXFXHOS-SJORKVTESA-N 0 3 290.382 3.739 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866283682 1124047670 /nfs/dbraw/zinc/04/76/70/1124047670.db2.gz ZKBUVMMXZZXSDS-DTWKUNHWSA-N 0 3 250.729 3.706 20 30 CHEDHN CC(C)(C)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000866573027 1124084315 /nfs/dbraw/zinc/08/43/15/1124084315.db2.gz FWMPWQZHLWYERF-CHWSQXEVSA-N 0 3 260.381 3.749 20 30 CHEDHN CC(C)C[C@@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428415246 1124097795 /nfs/dbraw/zinc/09/77/95/1124097795.db2.gz YTRREWRJENYSLO-AWEZNQCLSA-N 0 3 260.356 3.708 20 30 CHEDHN CCS[C@H]1CCCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428433201 1124110246 /nfs/dbraw/zinc/11/02/46/1124110246.db2.gz GTRUJPBWGDESCP-HOTGVXAUSA-N 0 3 292.423 3.851 20 30 CHEDHN CC[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000446732988 1124119087 /nfs/dbraw/zinc/11/90/87/1124119087.db2.gz YNOIEVYVOKOAQO-ZDUSSCGKSA-N 0 3 281.321 3.789 20 30 CHEDHN C=CC[C@@H](N[C@@H]1CCCc2ncccc21)c1ccncc1 ZINC001118991936 1131244969 /nfs/dbraw/zinc/24/49/69/1131244969.db2.gz TUZJURWNOHHRLU-SJLPKXTDSA-N 0 3 279.387 3.761 20 30 CHEDHN CC[C@H](NCc1scnc1C)c1ccc(C#N)cc1 ZINC000447563624 1124490950 /nfs/dbraw/zinc/49/09/50/1124490950.db2.gz RDAGVSPCBWDCOZ-AWEZNQCLSA-N 0 3 271.389 3.564 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000449072473 1124645670 /nfs/dbraw/zinc/64/56/70/1124645670.db2.gz KQIQAMSTJOSGIW-HUUCEWRRSA-N 0 3 290.455 3.790 20 30 CHEDHN C=CCCN(C)Cc1cnc(CCc2ccccc2)s1 ZINC000449268311 1124680723 /nfs/dbraw/zinc/68/07/23/1124680723.db2.gz FRVLLGQKMWSVOR-UHFFFAOYSA-N 0 3 286.444 3.936 20 30 CHEDHN C=CCCC[C@H](C)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528597365 1124701728 /nfs/dbraw/zinc/70/17/28/1124701728.db2.gz MHEPMCWDZWRGRE-AWEZNQCLSA-N 0 3 287.451 3.877 20 30 CHEDHN C=CCC[C@H](C)NCc1nc(C)c(Br)s1 ZINC000449400086 1124725179 /nfs/dbraw/zinc/72/51/79/1124725179.db2.gz HCVBZQYXICBFFT-QMMMGPOBSA-N 0 3 289.242 3.658 20 30 CHEDHN N#Cc1csc(CNC[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000449401412 1124725662 /nfs/dbraw/zinc/72/56/62/1124725662.db2.gz MUCKMIUTJKTVMF-ZBFHGGJFSA-N 0 3 297.427 3.688 20 30 CHEDHN CSCCCCCCNCc1cccc(F)c1C#N ZINC000873104116 1124738803 /nfs/dbraw/zinc/73/88/03/1124738803.db2.gz IXXKKUVJABCGNW-UHFFFAOYSA-N 0 3 280.412 3.710 20 30 CHEDHN CC(C)(CCC#N)CNCc1noc2c1CC(C)(C)CC2 ZINC000873174129 1124744336 /nfs/dbraw/zinc/74/43/36/1124744336.db2.gz AJVZCMHBZOBXHW-UHFFFAOYSA-N 0 3 289.423 3.609 20 30 CHEDHN N#Cc1ccc(/C=C/c2ccc(CN3CCC3)cc2)cc1 ZINC001239302698 1131312674 /nfs/dbraw/zinc/31/26/74/1131312674.db2.gz BSWPOIRSMDWPNQ-NSCUHMNNSA-N 0 3 274.367 3.934 20 30 CHEDHN CC1=C(C)C[C@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123382265 1131312797 /nfs/dbraw/zinc/31/27/97/1131312797.db2.gz QTAWMWPNEBONET-YPMHNXCESA-N 0 3 290.313 3.673 20 30 CHEDHN CCC[C@](C)(CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123476421 1131315222 /nfs/dbraw/zinc/31/52/22/1131315222.db2.gz MWGMXUJUXJXXHM-NHYWBVRUSA-N 0 3 280.318 3.752 20 30 CHEDHN C#C[C@H](N[C@H](C)c1cc2cnccc2o1)C(C)(C)C ZINC000825939490 1125016652 /nfs/dbraw/zinc/01/66/52/1125016652.db2.gz BJHINQQQKKHXTI-ABAIWWIYSA-N 0 3 256.349 3.526 20 30 CHEDHN C#CCCCCCC[NH2+][C@@H](C)c1nnc([C@H](C)CC)[n-]1 ZINC000877474865 1125031764 /nfs/dbraw/zinc/03/17/64/1125031764.db2.gz ICZBBNQZRSFYGI-KGLIPLIRSA-N 0 3 276.428 3.553 20 30 CHEDHN CCN(Cc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC001137120654 1125032368 /nfs/dbraw/zinc/03/23/68/1125032368.db2.gz ZPRYCZUIMBGNTH-UHFFFAOYSA-N 0 3 298.361 3.750 20 30 CHEDHN C#C[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000877541548 1125042103 /nfs/dbraw/zinc/04/21/03/1125042103.db2.gz PXZXLOSQFQDHFR-LSDHHAIUSA-N 0 3 277.795 3.562 20 30 CHEDHN N#Cc1cnc(Cl)c(CNC2CCC(C(F)F)CC2)c1 ZINC000877585794 1125049056 /nfs/dbraw/zinc/04/90/56/1125049056.db2.gz WZGQTFSFEMETCR-UHFFFAOYSA-N 0 3 299.752 3.520 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000877757338 1125074778 /nfs/dbraw/zinc/07/47/78/1125074778.db2.gz QXJMYXKETRJYAE-KBPBESRZSA-N 0 3 296.370 3.534 20 30 CHEDHN C#CCCCCCCNCc1noc2cc(F)ccc21 ZINC000877761322 1125076898 /nfs/dbraw/zinc/07/68/98/1125076898.db2.gz FIWVWCHIBBUOCI-UHFFFAOYSA-N 0 3 274.339 3.640 20 30 CHEDHN C#CCCCCCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000877946468 1125105764 /nfs/dbraw/zinc/10/57/64/1125105764.db2.gz IZWGFMPATDCONW-RAXLEYEMSA-N 0 3 296.458 3.511 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1C[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000878154572 1125125429 /nfs/dbraw/zinc/12/54/29/1125125429.db2.gz ZDAZNUQIIIWSFI-JTDSTZFVSA-N 0 3 298.430 3.547 20 30 CHEDHN CC[C@]1(C)CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878188826 1125129599 /nfs/dbraw/zinc/12/95/99/1125129599.db2.gz UUKWTCMLNURIGD-MOPGFXCFSA-N 0 3 298.430 3.549 20 30 CHEDHN CC(=O)[C@@](C#N)(CCN(C)[C@H](C)C1(C)CC1)c1ccccc1 ZINC000878179307 1125129676 /nfs/dbraw/zinc/12/96/76/1125129676.db2.gz KUVVLOIRRJOWQS-BEFAXECRSA-N 0 3 298.430 3.547 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878886706 1125183114 /nfs/dbraw/zinc/18/31/14/1125183114.db2.gz NYAHCIMGYSUGGC-CGTJXYLNSA-N 0 3 284.403 3.532 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc2c(o1)CCCC2 ZINC000878885807 1125183683 /nfs/dbraw/zinc/18/36/83/1125183683.db2.gz QTOXHRHSRBKDAG-UONOGXRCSA-N 0 3 274.408 3.778 20 30 CHEDHN C=C(Br)CNC1CC(c2ccc(F)cc2)C1 ZINC000127474280 1125191424 /nfs/dbraw/zinc/19/14/24/1125191424.db2.gz QSPFXNWLKKGACB-UHFFFAOYSA-N 0 3 284.172 3.570 20 30 CHEDHN C[C@]1(c2ccccc2)CCCN1Cc1ccc(C#N)o1 ZINC000880371656 1125268153 /nfs/dbraw/zinc/26/81/53/1125268153.db2.gz NCADAHCPQLHRJW-QGZVFWFLSA-N 0 3 266.344 3.662 20 30 CHEDHN C=CCCC[C@H](NCc1c[nH]cn1)c1ccccc1 ZINC000880390376 1125272524 /nfs/dbraw/zinc/27/25/24/1125272524.db2.gz QHBVGMYUSOIFIE-INIZCTEOSA-N 0 3 255.365 3.597 20 30 CHEDHN C=CCCC[C@H](NCc1cnc[nH]1)c1ccccc1 ZINC000880390376 1125272528 /nfs/dbraw/zinc/27/25/28/1125272528.db2.gz QHBVGMYUSOIFIE-INIZCTEOSA-N 0 3 255.365 3.597 20 30 CHEDHN C=CCCC[C@@H](NCc1cn[nH]c1)c1ccccc1 ZINC000880390556 1125272543 /nfs/dbraw/zinc/27/25/43/1125272543.db2.gz SKUGUISBYPNFMG-MRXNPFEDSA-N 0 3 255.365 3.597 20 30 CHEDHN CCSc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000190949028 1125297398 /nfs/dbraw/zinc/29/73/98/1125297398.db2.gz LWLAHJKSUFKLPU-CYBMUJFWSA-N 0 3 299.443 3.860 20 30 CHEDHN CC(C)CCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000610613484 1125358563 /nfs/dbraw/zinc/35/85/63/1125358563.db2.gz BHCYJLZSPDUSCB-UHFFFAOYSA-N 0 3 282.334 3.638 20 30 CHEDHN C=CCC[C@H](NCc1nc(C2CC2)cs1)[C@H]1CCCO1 ZINC000883206133 1125376918 /nfs/dbraw/zinc/37/69/18/1125376918.db2.gz LEBPBFWKHMNBDO-DZGCQCFKSA-N 0 3 292.448 3.624 20 30 CHEDHN C=CCCCCCN(C)Cn1nccc1-c1ccncc1 ZINC000131385018 1125390701 /nfs/dbraw/zinc/39/07/01/1125390701.db2.gz QMIRPPZLUMURAM-UHFFFAOYSA-N 0 3 284.407 3.581 20 30 CHEDHN CCN(Cc1cccnc1)[C@H](C)c1ccc(C#N)cc1 ZINC000171146016 1125404646 /nfs/dbraw/zinc/40/46/46/1125404646.db2.gz WIVWUMYPHYAFCW-CQSZACIVSA-N 0 3 265.360 3.536 20 30 CHEDHN CCS[C@H]1CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000352893286 1125405221 /nfs/dbraw/zinc/40/52/21/1125405221.db2.gz NIARTIOTYGYITO-HNNXBMFYSA-N 0 3 292.423 3.805 20 30 CHEDHN CC(C)(CCC#N)CN[C@H]1c2ccccc2CC[C@H]1F ZINC000883382765 1125406953 /nfs/dbraw/zinc/40/69/53/1125406953.db2.gz MUSXWJSNDBCMNL-CVEARBPZSA-N 0 3 274.383 3.932 20 30 CHEDHN N#CCCOCCN(Cc1ccccc1)Cc1ccccc1 ZINC000307318214 1125414363 /nfs/dbraw/zinc/41/43/63/1125414363.db2.gz LXBKGMNALDSBPA-UHFFFAOYSA-N 0 3 294.398 3.619 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccc(F)cc1F ZINC000348259221 1125448261 /nfs/dbraw/zinc/44/82/61/1125448261.db2.gz DJURXFPCHDPEQY-RISCZKNCSA-N 0 3 266.335 3.568 20 30 CHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1cccs1 ZINC000087823985 1129194615 /nfs/dbraw/zinc/19/46/15/1129194615.db2.gz BFJAFAGUBPTHOT-AWEZNQCLSA-N 0 3 286.400 3.869 20 30 CHEDHN COc1ccc(CNCc2ccc(Cl)cc2)cc1C#N ZINC000087822806 1129194620 /nfs/dbraw/zinc/19/46/20/1129194620.db2.gz GCXSEVLGUIGGSG-UHFFFAOYSA-N 0 3 286.762 3.510 20 30 CHEDHN CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000037748292 1129264535 /nfs/dbraw/zinc/26/45/35/1129264535.db2.gz KYJJXWZIKTZOGN-MRXNPFEDSA-N 0 3 266.344 3.505 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)C(C)(C)C ZINC000734709795 1129319124 /nfs/dbraw/zinc/31/91/24/1129319124.db2.gz ZVBNQLCBGZOGEI-GHMZBOCLSA-N 0 3 270.332 3.686 20 30 CHEDHN C=CCCCN(C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639499302 1129319780 /nfs/dbraw/zinc/31/97/80/1129319780.db2.gz HGMPVROSIMILOS-BETUJISGSA-N 0 3 291.357 3.822 20 30 CHEDHN CC(C)CCO[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249083550 1129440641 /nfs/dbraw/zinc/44/06/41/1129440641.db2.gz AZAKHUFCOAWVRC-CRAIPNDOSA-N 0 3 286.419 3.756 20 30 CHEDHN C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1[O-] ZINC000094617289 1129448295 /nfs/dbraw/zinc/44/82/95/1129448295.db2.gz LDKMPULCBKVMLQ-NWDGAFQWSA-N 0 3 284.334 3.815 20 30 CHEDHN CC[C@H]1C[C@@H](C)CN1Cc1cc(Cl)ccc1OCC#N ZINC000745948681 1129619231 /nfs/dbraw/zinc/61/92/31/1129619231.db2.gz RCNOXWLBWJMLQD-DOMZBBRYSA-N 0 3 292.810 3.863 20 30 CHEDHN N#Cc1ccc(CN(CCc2ccccc2)C2CC2)c(F)c1 ZINC000746118742 1129626232 /nfs/dbraw/zinc/62/62/32/1129626232.db2.gz BFCVMDTYKIDKRC-UHFFFAOYSA-N 0 3 294.373 3.904 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183651811 1129629493 /nfs/dbraw/zinc/62/94/93/1129629493.db2.gz MGMVRNCYEGCIGF-UHFFFAOYSA-N 0 3 291.288 3.775 20 30 CHEDHN C=C(C)[C@@H](CO)N1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000649382853 1129643325 /nfs/dbraw/zinc/64/33/25/1129643325.db2.gz XFTQPDUNSDYXGW-GOSISDBHSA-N 0 3 296.414 3.502 20 30 CHEDHN C=CCOCCNC1c2ccccc2-c2ccccc21 ZINC000383507661 1129650748 /nfs/dbraw/zinc/65/07/48/1129650748.db2.gz DPFUPEMPIDCNJM-UHFFFAOYSA-N 0 3 265.356 3.549 20 30 CHEDHN COCC#CCN1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168918155 1129683657 /nfs/dbraw/zinc/68/36/57/1129683657.db2.gz GJVZSSCYHZYBMZ-SFHVURJKSA-N 0 3 271.404 3.597 20 30 CHEDHN CC(C)CCN(CCC#N)CC[C@H]1CC1(Cl)Cl ZINC000822664231 1131392859 /nfs/dbraw/zinc/39/28/59/1131392859.db2.gz NACYXDGNKCJREL-LBPRGKRZSA-N 0 3 277.239 3.832 20 30 CHEDHN C#C[C@@](C)(CC)Nc1ccc(F)c(CN2CCCC2)c1 ZINC001169700659 1129748913 /nfs/dbraw/zinc/74/89/13/1129748913.db2.gz UUJUVNPCFWBYJL-KRWDZBQOSA-N 0 3 274.383 3.635 20 30 CHEDHN C=CCN(C)CCN(CC)[C@H](CC)c1ccc(F)cc1F ZINC001169832346 1129757821 /nfs/dbraw/zinc/75/78/21/1129757821.db2.gz FWHLMHQXUHYGRX-QGZVFWFLSA-N 0 3 296.405 3.856 20 30 CHEDHN CCN(Cc1ccccc1)c1ccc(C=NOC)cc1 ZINC000767478496 1129795035 /nfs/dbraw/zinc/79/50/35/1129795035.db2.gz UDIQMHRSTWFDQO-UHFFFAOYSA-N 0 3 268.360 3.693 20 30 CHEDHN CC[C@H](NCC#Cc1ccccc1Cl)[C@@H]1CCCCO1 ZINC000653874725 1129799233 /nfs/dbraw/zinc/79/92/33/1129799233.db2.gz KAVNMESOMIWAIK-IRXDYDNUSA-N 0 3 291.822 3.629 20 30 CHEDHN CCCCCCCOc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000768237312 1129844419 /nfs/dbraw/zinc/84/44/19/1129844419.db2.gz ODCMHMYEOMIRKD-QGZVFWFLSA-N 0 3 291.435 3.602 20 30 CHEDHN C=CCN(Cc1cc(Cl)c(OC)c(OC)c1)C(C)C ZINC000768548097 1129863921 /nfs/dbraw/zinc/86/39/21/1129863921.db2.gz WPSYYPZJGDHMDF-UHFFFAOYSA-N 0 3 283.799 3.754 20 30 CHEDHN C=CCN(Cc1c(C)nn(Cc2ccccc2)c1C)C(C)C ZINC000768547471 1129864694 /nfs/dbraw/zinc/86/46/94/1129864694.db2.gz OAYDULSEVUJEQG-UHFFFAOYSA-N 0 3 297.446 3.945 20 30 CHEDHN C#CCN(Cc1c(C)nn(CCC)c1C)C1CCCCC1 ZINC000769145653 1129892187 /nfs/dbraw/zinc/89/21/87/1129892187.db2.gz LSAPXZAFSVDNKM-UHFFFAOYSA-N 0 3 287.451 3.678 20 30 CHEDHN C#CCN(Cc1sccc1OC)C1CCCCC1 ZINC000769145581 1129892260 /nfs/dbraw/zinc/89/22/60/1129892260.db2.gz HTXGICXPHZYUSL-UHFFFAOYSA-N 0 3 263.406 3.525 20 30 CHEDHN Cc1ccc(N2CCN(CCCCC(C)(C)C#N)CC2)cc1 ZINC000769793064 1129925720 /nfs/dbraw/zinc/92/57/20/1129925720.db2.gz CHRFWVCGUFADTI-UHFFFAOYSA-N 0 3 299.462 3.837 20 30 CHEDHN CNc1ccc(C)cc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000902054502 1129975238 /nfs/dbraw/zinc/97/52/38/1129975238.db2.gz GZLKBKUFJLOCMY-AWEZNQCLSA-N 0 3 279.387 3.759 20 30 CHEDHN C[C@H](NCCCSc1ccccc1)c1cc(C#N)ccn1 ZINC000902725387 1130045277 /nfs/dbraw/zinc/04/52/77/1130045277.db2.gz WMZPACIBLXLJOD-AWEZNQCLSA-N 0 3 297.427 3.786 20 30 CHEDHN C=CCC[C@@H](NCc1ncc(C)s1)[C@]1(C)CCCCO1 ZINC000902821811 1130063069 /nfs/dbraw/zinc/06/30/69/1130063069.db2.gz LHGHBKJECWCUIA-ZBFHGGJFSA-N 0 3 294.464 3.835 20 30 CHEDHN CC[C@H](NCc1ccnc(C)c1)c1cccc(C#N)c1 ZINC000903004551 1130099016 /nfs/dbraw/zinc/09/90/16/1130099016.db2.gz DZWKFLJXXTZZRA-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN Cc1sccc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000786936808 1130123791 /nfs/dbraw/zinc/12/37/91/1130123791.db2.gz ZKCGLBPBTRVTDX-GFCCVEGCSA-N 0 3 296.351 3.617 20 30 CHEDHN CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000787025529 1130125833 /nfs/dbraw/zinc/12/58/33/1130125833.db2.gz HBPUPMLMLIPELW-QZTJIDSGSA-N 0 3 292.382 3.992 20 30 CHEDHN C=CCC[C@H](CCC)N[C@H](c1ncccn1)C1CC1 ZINC000903330679 1130157734 /nfs/dbraw/zinc/15/77/34/1130157734.db2.gz IIKVWFNJIMEAJR-GJZGRUSLSA-N 0 3 259.397 3.652 20 30 CHEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1OC ZINC000903370817 1130167560 /nfs/dbraw/zinc/16/75/60/1130167560.db2.gz KOQOWYBTKNXJED-LNSITVRQSA-N 0 3 276.355 3.567 20 30 CHEDHN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000903427144 1130175087 /nfs/dbraw/zinc/17/50/87/1130175087.db2.gz FEIJTPKLKOHNLQ-KPZWWZAWSA-N 0 3 295.361 3.894 20 30 CHEDHN CC1=C[C@@H](C)C[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000789639185 1130267608 /nfs/dbraw/zinc/26/76/08/1130267608.db2.gz ITXBEBQROJFKRQ-HIFRSBDPSA-N 0 3 280.375 3.771 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCCC(C)(C)C2)n1 ZINC000789762023 1130274954 /nfs/dbraw/zinc/27/49/54/1130274954.db2.gz QNWIIFJYMJVHIL-MRXNPFEDSA-N 0 3 287.451 3.555 20 30 CHEDHN Cc1ccnc(C#N)c1C1=CCCN(Cc2ccccc2)C1 ZINC001240390462 1130287692 /nfs/dbraw/zinc/28/76/92/1130287692.db2.gz OKSDXBKWDUTPDT-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN C[N@@H+]1CCCC(C)(C)[C@@H]1C/N=C\c1cc(Cl)ccc1[O-] ZINC000790599385 1130321615 /nfs/dbraw/zinc/32/16/15/1130321615.db2.gz XTUBIQSRBBATDH-PACYTGELSA-N 0 3 294.826 3.585 20 30 CHEDHN C[N@H+]1CCCC(C)(C)[C@@H]1C/N=C\c1cc(Cl)ccc1[O-] ZINC000790599385 1130321621 /nfs/dbraw/zinc/32/16/21/1130321621.db2.gz XTUBIQSRBBATDH-PACYTGELSA-N 0 3 294.826 3.585 20 30 CHEDHN C=C(CNCc1cn(C)nc1C(C)(C)C)c1ccccc1 ZINC000678303770 1130396017 /nfs/dbraw/zinc/39/60/17/1130396017.db2.gz XEDCIFFQTMUFHU-UHFFFAOYSA-N 0 3 283.419 3.521 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccc(F)cc12 ZINC001137341310 1130430531 /nfs/dbraw/zinc/43/05/31/1130430531.db2.gz HUZBDLVDBDTBFK-UWEBFBLFSA-N 0 3 283.350 3.574 20 30 CHEDHN N#CC(C(=O)CC1CCCC1)c1nccc2ccccc21 ZINC000792094096 1130431230 /nfs/dbraw/zinc/43/12/30/1130431230.db2.gz CKNHOKSSXOERHJ-MRXNPFEDSA-N 0 3 278.355 3.991 20 30 CHEDHN N#Cc1ccc(CN2CCCC3(CC(F)C3)CC2)cc1F ZINC001139529481 1130465439 /nfs/dbraw/zinc/46/54/39/1130465439.db2.gz UBCYXAOSBQJNHD-UHFFFAOYSA-N 0 3 290.357 3.802 20 30 CHEDHN C[C@@H](Cc1ccccc1Cl)N1CCC[C@H](C#N)CC1 ZINC001170286936 1130479056 /nfs/dbraw/zinc/47/90/56/1130479056.db2.gz FVBQXYULWUOEGH-KBPBESRZSA-N 0 3 276.811 3.897 20 30 CHEDHN CCN(CCC#N)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387658 1130487704 /nfs/dbraw/zinc/48/77/04/1130487704.db2.gz ZEAVZMDGADYWDP-UHFFFAOYSA-N 0 3 281.403 3.626 20 30 CHEDHN CCCC[C@@H](CC)COCCCN[C@@H](CC)CC#N ZINC001255155086 1130493795 /nfs/dbraw/zinc/49/37/95/1130493795.db2.gz LGTIXBQDJIAAQB-CVEARBPZSA-N 0 3 268.445 3.891 20 30 CHEDHN C=CCOCCNCc1ccc(-c2ccccc2)cc1OC ZINC000679719686 1130552925 /nfs/dbraw/zinc/55/29/25/1130552925.db2.gz MZAZHDZZUMALNO-UHFFFAOYSA-N 0 3 297.398 3.654 20 30 CHEDHN C#C[C@H](N[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(Cl)cc1 ZINC000811517215 1130615774 /nfs/dbraw/zinc/61/57/74/1130615774.db2.gz LIHBZIKKLJSOMZ-IKGGRYGDSA-N 0 3 291.822 3.808 20 30 CHEDHN C#C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000811507890 1130618474 /nfs/dbraw/zinc/61/84/74/1130618474.db2.gz ROWRJZSGNKXIIB-CQSZACIVSA-N 0 3 294.320 3.715 20 30 CHEDHN C=C(C)C[C@@H](Oc1cccc2c1CCN(C)C2)C(=C)C ZINC001234424474 1130642834 /nfs/dbraw/zinc/64/28/34/1130642834.db2.gz QTJMQRWVJMOYOY-GOSISDBHSA-N 0 3 271.404 3.964 20 30 CHEDHN C=C(Br)CN1CCCC12CCCCC2 ZINC000759402200 1130655056 /nfs/dbraw/zinc/65/50/56/1130655056.db2.gz YIQHWXUYUMRMRJ-UHFFFAOYSA-N 0 3 258.203 3.694 20 30 CHEDHN C#C[C@@H](N[C@H](C)CCc1ccc(O)cc1)c1ccc(F)cc1 ZINC000812793540 1130716712 /nfs/dbraw/zinc/71/67/12/1130716712.db2.gz YTQHSRNPEGMUKP-AUUYWEPGSA-N 0 3 297.373 3.817 20 30 CHEDHN C[C@H](NCCSC(C)(C)C)c1ccc(C#N)cc1F ZINC000781424242 1130717590 /nfs/dbraw/zinc/71/75/90/1130717590.db2.gz WBFJWQOKLFNGOA-NSHDSACASA-N 0 3 280.412 3.880 20 30 CHEDHN C#C[C@@H](N[C@@H](C)CCc1ccc(O)cc1)c1ccc(F)cc1 ZINC000812793541 1130717697 /nfs/dbraw/zinc/71/76/97/1130717697.db2.gz YTQHSRNPEGMUKP-IFXJQAMLSA-N 0 3 297.373 3.817 20 30 CHEDHN CN(Cc1ccc(F)cc1)Cc1ccccc1CC#N ZINC001235511891 1130750472 /nfs/dbraw/zinc/75/04/72/1130750472.db2.gz MSGTZGKTRKWSRM-UHFFFAOYSA-N 0 3 268.335 3.524 20 30 CHEDHN Cc1ccc([C@@H]2CCCN2Cc2ccccc2CC#N)cn1 ZINC001235526954 1130751979 /nfs/dbraw/zinc/75/19/79/1130751979.db2.gz FGFDAVSDFZMNNO-IBGZPJMESA-N 0 3 291.398 3.793 20 30 CHEDHN CCCCCCCN(CC)Cc1n[nH]c2cc(N)ccc21 ZINC001235661845 1130762985 /nfs/dbraw/zinc/76/29/85/1130762985.db2.gz PSNSIJBHSPPZHV-UHFFFAOYSA-N 0 3 288.439 3.937 20 30 CHEDHN CC(C)(C)c1ccc(C[NH+]2CCC(CC#N)CC2)c([O-])c1 ZINC001235686236 1130767932 /nfs/dbraw/zinc/76/79/32/1130767932.db2.gz ZDAVBVPUWHTAFR-UHFFFAOYSA-N 0 3 286.419 3.815 20 30 CHEDHN C#C[C@H](N[C@H](C)c1cc2ccccc2s1)[C@H]1CCCO1 ZINC000783294240 1130812694 /nfs/dbraw/zinc/81/26/94/1130812694.db2.gz IMXYESFKLVKWGR-VHDGCEQUSA-N 0 3 285.412 3.733 20 30 CHEDHN N#CCCOCCNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000815065811 1130955681 /nfs/dbraw/zinc/95/56/81/1130955681.db2.gz ONZBWVCCWOYLCE-UHFFFAOYSA-N 0 3 299.201 3.502 20 30 CHEDHN C=CCN(CC=C)Cc1cccc(Br)c1C ZINC001236606290 1130983215 /nfs/dbraw/zinc/98/32/15/1130983215.db2.gz ZDFNYBQJTDJADX-UHFFFAOYSA-N 0 3 280.209 3.932 20 30 CHEDHN N#CC1CCN(Cc2cccc3sccc32)CC1 ZINC001236681707 1130993147 /nfs/dbraw/zinc/99/31/47/1130993147.db2.gz JCIXAJFDGRQACW-UHFFFAOYSA-N 0 3 256.374 3.637 20 30 CHEDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)CCC#N)c([O-])c1 ZINC000815627382 1131010552 /nfs/dbraw/zinc/01/05/52/1131010552.db2.gz ZQGADSTYCGDKFP-CQSZACIVSA-N 0 3 274.408 3.990 20 30 CHEDHN C[C@@H](NN=Cc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000748032863 1131026381 /nfs/dbraw/zinc/02/63/81/1131026381.db2.gz CPCWXKLUDPPKNX-OAHLLOKOSA-N 0 3 293.414 3.754 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2ccc(F)c3ccoc32)CC1 ZINC001236899357 1131029211 /nfs/dbraw/zinc/02/92/11/1131029211.db2.gz SSGCUTUZNREKHX-GFCCVEGCSA-N 0 3 272.323 3.698 20 30 CHEDHN N#C[C@H]1CCCN(Cc2ccc(F)c3ccoc32)CC1 ZINC001236899360 1131029835 /nfs/dbraw/zinc/02/98/35/1131029835.db2.gz SSGCUTUZNREKHX-LBPRGKRZSA-N 0 3 272.323 3.698 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccc(F)c3ccoc32)C1 ZINC001236907280 1131030242 /nfs/dbraw/zinc/03/02/42/1131030242.db2.gz XNPFIIACCILZIN-GFCCVEGCSA-N 0 3 272.323 3.698 20 30 CHEDHN Cc1ccc(-c2cncc(CN3CCC(S)CC3)c2)cc1 ZINC001237001408 1131035159 /nfs/dbraw/zinc/03/51/59/1131035159.db2.gz DEJCVXYGUFMTNZ-UHFFFAOYSA-N 0 3 298.455 3.951 20 30 CHEDHN Cc1cc(F)cc(C)c1CN1CCC[C@@H](CC#N)C1 ZINC001237323907 1131082749 /nfs/dbraw/zinc/08/27/49/1131082749.db2.gz YEWSKSNREQEYRI-AWEZNQCLSA-N 0 3 260.356 3.568 20 30 CHEDHN Cc1cc(F)cc(C)c1CN(C)Cc1cccc(C#N)c1 ZINC001237326730 1131083853 /nfs/dbraw/zinc/08/38/53/1131083853.db2.gz VNYJDNVEAZGKTN-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN Cn1cc(CN2CC3(C2)CCCCC3)c2cc(C#N)ccc21 ZINC001237473459 1131102291 /nfs/dbraw/zinc/10/22/91/1131102291.db2.gz KALANLSCYBKDPK-UHFFFAOYSA-N 0 3 293.414 3.816 20 30 CHEDHN Cn1cc(CN2CC[C@@H]3CCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001237468454 1131102389 /nfs/dbraw/zinc/10/23/89/1131102389.db2.gz NAAQYJRNMFZMLS-HOTGVXAUSA-N 0 3 293.414 3.672 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cccc(-c3ccccc3)n2)C1 ZINC001237547802 1131113925 /nfs/dbraw/zinc/11/39/25/1131113925.db2.gz XTVBAXSZIBCENT-INIZCTEOSA-N 0 3 276.383 3.594 20 30 CHEDHN C=CCN(Cc1cn2cc(C#N)ccc2n1)C1CCCCC1 ZINC001237616928 1131119467 /nfs/dbraw/zinc/11/94/67/1131119467.db2.gz IBFGKXNRSMIKFP-UHFFFAOYSA-N 0 3 294.402 3.527 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001237752264 1131139719 /nfs/dbraw/zinc/13/97/19/1131139719.db2.gz UFADGCIJVPEDIK-HOCLYGCPSA-N 0 3 274.795 3.976 20 30 CHEDHN C=CC[C@@H](N[C@H]1CCc2c1cccc2OC)c1ccncc1 ZINC001116296637 1131140196 /nfs/dbraw/zinc/14/01/96/1131140196.db2.gz UHALEUHOBSYRQM-MSOLQXFVSA-N 0 3 294.398 3.985 20 30 CHEDHN C=CCCCCN(C)Cc1cnc(C2CC2)s1 ZINC001237792387 1131141488 /nfs/dbraw/zinc/14/14/88/1131141488.db2.gz WTPXZDDJBCHBHP-UHFFFAOYSA-N 0 3 250.411 3.809 20 30 CHEDHN C=C[C@@H](COC)NCc1ccc(F)c(-c2cccs2)c1 ZINC001116620327 1131158006 /nfs/dbraw/zinc/15/80/06/1131158006.db2.gz IQUBLUFZGUEAKP-ZDUSSCGKSA-N 0 3 291.391 3.845 20 30 CHEDHN C=C[C@H](COC)NCc1ccc(-c2ccccc2F)s1 ZINC001116615884 1131158229 /nfs/dbraw/zinc/15/82/29/1131158229.db2.gz QFRMOIDNUWUCEB-GFCCVEGCSA-N 0 3 291.391 3.845 20 30 CHEDHN Cc1cc(CNCc2ccc3c(c2)CCC3)ccc1C#N ZINC001116786520 1131163799 /nfs/dbraw/zinc/16/37/99/1131163799.db2.gz NSXHBXYDXDTSKY-UHFFFAOYSA-N 0 3 276.383 3.645 20 30 CHEDHN N#Cc1cc(CN2CC3CCC(CC3)C2)ccc1Cl ZINC001238198688 1131180468 /nfs/dbraw/zinc/18/04/68/1131180468.db2.gz MIVCIDRWNMQATR-UHFFFAOYSA-N 0 3 274.795 3.834 20 30 CHEDHN SC1CCN(Cc2cccc(-c3cccs3)n2)CC1 ZINC001238208236 1131181317 /nfs/dbraw/zinc/18/13/17/1131181317.db2.gz BLEGWBZQDPENTG-UHFFFAOYSA-N 0 3 290.457 3.704 20 30 CHEDHN C#CC[C@H]1CCCN([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000829773375 1131432699 /nfs/dbraw/zinc/43/26/99/1131432699.db2.gz DOWPIEPKLFAJTF-CABCVRRESA-N 0 3 295.386 3.533 20 30 CHEDHN Cc1c2ccccc2[nH]c1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138402285 1131499554 /nfs/dbraw/zinc/49/95/54/1131499554.db2.gz LVHJYXNJTLLYJZ-QKDCVEJESA-N 0 3 279.387 3.743 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(OC(C)C)cc2)c1 ZINC000825227680 1131504388 /nfs/dbraw/zinc/50/43/88/1131504388.db2.gz XUBSFMAXGKOSTL-UHFFFAOYSA-N 0 3 279.383 3.745 20 30 CHEDHN C=CCN(Cc1ncc(C(F)(F)F)[nH]1)C1CCCCC1 ZINC001137020546 1131507503 /nfs/dbraw/zinc/50/75/03/1131507503.db2.gz VIKKOKJMPBEYPV-UHFFFAOYSA-N 0 3 287.329 3.749 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC001138627851 1131528804 /nfs/dbraw/zinc/52/88/04/1131528804.db2.gz HCDCCBSLLDKBOC-PBHICJAKSA-N 0 3 271.404 3.885 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC001138627851 1131528809 /nfs/dbraw/zinc/52/88/09/1131528809.db2.gz HCDCCBSLLDKBOC-PBHICJAKSA-N 0 3 271.404 3.885 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCCC3(CCC3)C2)c1[O-] ZINC001138629987 1131529680 /nfs/dbraw/zinc/52/96/80/1131529680.db2.gz MHGIYWYGMPRZSN-UHFFFAOYSA-N 0 3 271.404 3.887 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCCC3(CCC3)C2)c1[O-] ZINC001138629987 1131529681 /nfs/dbraw/zinc/52/96/81/1131529681.db2.gz MHGIYWYGMPRZSN-UHFFFAOYSA-N 0 3 271.404 3.887 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1[O-] ZINC001138629003 1131529705 /nfs/dbraw/zinc/52/97/05/1131529705.db2.gz KMTANVFIJDOCIZ-AWEZNQCLSA-N 0 3 299.336 3.895 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1[O-] ZINC001138629003 1131529706 /nfs/dbraw/zinc/52/97/06/1131529706.db2.gz KMTANVFIJDOCIZ-AWEZNQCLSA-N 0 3 299.336 3.895 20 30 CHEDHN C=CCc1cccc(C[NH+]2CCc3ccccc3CC2)c1[O-] ZINC001138628887 1131529747 /nfs/dbraw/zinc/52/97/47/1131529747.db2.gz IMJPAHOUKTVVTK-UHFFFAOYSA-N 0 3 293.410 3.722 20 30 CHEDHN C=C(C)COc1ccccc1CN1CC[C@@H](OCCC)C1 ZINC001138664033 1131534398 /nfs/dbraw/zinc/53/43/98/1131534398.db2.gz HMSIVXXLDGRLOP-QGZVFWFLSA-N 0 3 289.419 3.642 20 30 CHEDHN COc1cc(C)c(CN2CCC(C)(C#N)CC2)c(C)c1C ZINC001138725342 1131542698 /nfs/dbraw/zinc/54/26/98/1131542698.db2.gz VUMKGFFBRZDSCC-UHFFFAOYSA-N 0 3 286.419 3.746 20 30 CHEDHN C=CC[C@@H](C)C(=O)NCCP(C(C)C)C(C)C ZINC001144028711 1131574532 /nfs/dbraw/zinc/57/45/32/1131574532.db2.gz LRXCWPFFHKGEIL-CYBMUJFWSA-N 0 3 257.358 3.614 20 30 CHEDHN C=CCN(Cc1ccc(Br)o1)C(C)(C)C ZINC001138906942 1131559482 /nfs/dbraw/zinc/55/94/82/1131559482.db2.gz GTOGMFYTMBXCPS-UHFFFAOYSA-N 0 3 272.186 3.829 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000844441686 1131566583 /nfs/dbraw/zinc/56/65/83/1131566583.db2.gz QXDLDNAYKYTCEC-SWLSCSKDSA-N 0 3 276.330 3.740 20 30 CHEDHN CCOc1ccc(CN2CCC[C@H](C#N)CC2)cc1CC ZINC001139624232 1131624991 /nfs/dbraw/zinc/62/49/91/1131624991.db2.gz VYGMDVUFSVKNBK-HNNXBMFYSA-N 0 3 286.419 3.773 20 30 CHEDHN N#Cc1cccc2c(CN3CCC[C@H]4CCC[C@H]43)c[nH]c21 ZINC001139706191 1131629918 /nfs/dbraw/zinc/62/99/18/1131629918.db2.gz OBZHUMCBKZDBEZ-CXAGYDPISA-N 0 3 279.387 3.804 20 30 CHEDHN N#CC(C(=O)[C@H]1C[C@@H]1C1CCCC1)c1nc2ccccc2[nH]1 ZINC000845436716 1131633934 /nfs/dbraw/zinc/63/39/34/1131633934.db2.gz JEBOCDAHALXTDZ-HZSPNIEDSA-N 0 3 293.370 3.565 20 30 CHEDHN C=CCCN(Cc1cnn(CC=C)c1)Cc1ccccc1 ZINC001139770664 1131636447 /nfs/dbraw/zinc/63/64/47/1131636447.db2.gz WAAGZRYKYWSKEG-UHFFFAOYSA-N 0 3 281.403 3.647 20 30 CHEDHN N#Cc1cc(F)cc(CN2CCCC3(CC(F)C3)CC2)c1 ZINC001139876372 1131644177 /nfs/dbraw/zinc/64/41/77/1131644177.db2.gz UQROWKKCUOJIPF-UHFFFAOYSA-N 0 3 290.357 3.802 20 30 CHEDHN C#CC1CCN(Cc2cc(C(F)(F)F)ccc2C)CC1 ZINC001139887031 1131646526 /nfs/dbraw/zinc/64/65/26/1131646526.db2.gz KVBIQFJMNKDQPR-UHFFFAOYSA-N 0 3 281.321 3.859 20 30 CHEDHN C#Cc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1 ZINC001144567796 1131661080 /nfs/dbraw/zinc/66/10/80/1131661080.db2.gz CHWHPIXSDATBIH-HNNXBMFYSA-N 0 3 261.368 3.787 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(O)cc1Cl ZINC001140083286 1131662525 /nfs/dbraw/zinc/66/25/25/1131662525.db2.gz LTTPSLQQGQRONU-UHFFFAOYSA-N 0 3 253.773 3.834 20 30 CHEDHN C=CC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccncc1 ZINC000834590351 1131685800 /nfs/dbraw/zinc/68/58/00/1131685800.db2.gz UHMITFREVVNWNS-HZPDHXFCSA-N 0 3 280.371 3.682 20 30 CHEDHN C=CCOc1cccc(CN2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846106515 1131691280 /nfs/dbraw/zinc/69/12/80/1131691280.db2.gz BVPJLLFGSZZMSZ-INIZCTEOSA-N 0 3 293.357 3.873 20 30 CHEDHN C#CC[C@H](N[C@H](CC)c1ccncc1)c1ccccc1 ZINC000834692469 1131694220 /nfs/dbraw/zinc/69/42/20/1131694220.db2.gz CBTOANHEYUQARY-MSOLQXFVSA-N 0 3 264.372 3.887 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001140381344 1131709963 /nfs/dbraw/zinc/70/99/63/1131709963.db2.gz VTBQTYOBZRXARG-UHFFFAOYSA-N 0 3 291.398 3.874 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2cnc(C)cc2C)cc1 ZINC000834902368 1131725077 /nfs/dbraw/zinc/72/50/77/1131725077.db2.gz HJLWEVWPRWRIRT-INIZCTEOSA-N 0 3 294.398 3.561 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2ccc(C)nc2C)c1 ZINC000834902686 1131725724 /nfs/dbraw/zinc/72/57/24/1131725724.db2.gz KGVMPRKMTWWWGY-CQSZACIVSA-N 0 3 264.372 3.531 20 30 CHEDHN CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(C)cc1[O-] ZINC000834903768 1131726399 /nfs/dbraw/zinc/72/63/99/1131726399.db2.gz RIAKWMFQIFYQIM-QGZVFWFLSA-N 0 3 298.361 3.952 20 30 CHEDHN C=CCN(Cc1ccc(C(=O)OC)s1)C1CCCCC1 ZINC001140524992 1131778789 /nfs/dbraw/zinc/77/87/89/1131778789.db2.gz OKKQSBSQHXEARB-UHFFFAOYSA-N 0 3 293.432 3.855 20 30 CHEDHN CCCCN(CC)Cc1cc(C#N)ccc1Cl ZINC001140599888 1131822168 /nfs/dbraw/zinc/82/21/68/1131822168.db2.gz VPSKBSJMGCRAQR-UHFFFAOYSA-N 0 3 250.773 3.834 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC001140602805 1131822711 /nfs/dbraw/zinc/82/27/11/1131822711.db2.gz PVUTUBZJOQMQFU-XJKSGUPXSA-N 0 3 274.795 3.976 20 30 CHEDHN CN(Cc1cccc(C#N)c1Cl)CC1CCCC1 ZINC001140809771 1131932494 /nfs/dbraw/zinc/93/24/94/1131932494.db2.gz HCALZEHZXSLJAI-UHFFFAOYSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000773060001 1131932883 /nfs/dbraw/zinc/93/28/83/1131932883.db2.gz OUZWHZIKABDJRJ-RRFJBIMHSA-N 0 3 284.407 3.519 20 30 CHEDHN C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1[O-] ZINC000036991929 1131985169 /nfs/dbraw/zinc/98/51/69/1131985169.db2.gz SQUYPRBQLXODON-QWHCGFSZSA-N 0 3 266.344 3.676 20 30 CHEDHN N#CCC1(N[C@H]2CCc3cc(F)c(F)cc3C2)CCCC1 ZINC001171474812 1132042609 /nfs/dbraw/zinc/04/26/09/1132042609.db2.gz XXNCAZVYCSYNOX-AWEZNQCLSA-N 0 3 290.357 3.638 20 30 CHEDHN C=C[C@@H](CCC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301698 1132050366 /nfs/dbraw/zinc/05/03/66/1132050366.db2.gz BDAYMJGELHPBOK-HNNXBMFYSA-N 0 3 275.392 3.555 20 30 CHEDHN C[C@@H](Cc1ccc(C#N)cc1)N(C)Cc1ccccc1F ZINC001172307605 1132153556 /nfs/dbraw/zinc/15/35/56/1132153556.db2.gz OWVRIIFZGHXQSU-AWEZNQCLSA-N 0 3 282.362 3.760 20 30 CHEDHN Cc1csc([C@@H](C)N[C@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172294806 1132166095 /nfs/dbraw/zinc/16/60/95/1132166095.db2.gz NAIUXZQCLTVGDD-DGCLKSJQSA-N 0 3 285.416 3.605 20 30 CHEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](CF)c1ccccc1 ZINC001172298776 1132166855 /nfs/dbraw/zinc/16/68/55/1132166855.db2.gz CZFHDDNCZJPNRN-RDTXWAMCSA-N 0 3 282.362 3.790 20 30 CHEDHN COc1ccc(-c2nc(CN[C@H](C)CCCC#N)co2)cc1 ZINC001172487419 1132227385 /nfs/dbraw/zinc/22/73/85/1132227385.db2.gz HMTUHRZFCLBWRN-CYBMUJFWSA-N 0 3 299.374 3.522 20 30 CHEDHN C[C@@H](CCCC#N)NCc1c(F)cc(Cl)cc1F ZINC001172482698 1132229331 /nfs/dbraw/zinc/22/93/31/1132229331.db2.gz JKDLYQLJGGWIBR-VIFPVBQESA-N 0 3 272.726 3.790 20 30 CHEDHN C[C@@H](CCCC#N)NCc1c(F)ccc(F)c1Cl ZINC001172481728 1132229920 /nfs/dbraw/zinc/22/99/20/1132229920.db2.gz XCCLNOVUXKNNEV-VIFPVBQESA-N 0 3 272.726 3.790 20 30 CHEDHN C[C@H](CCCC#N)N[C@H](c1ncccc1Cl)C1CC1 ZINC001172491135 1132246550 /nfs/dbraw/zinc/24/65/50/1132246550.db2.gz DKAWDSJJYBWLFZ-RISCZKNCSA-N 0 3 277.799 3.858 20 30 CHEDHN COc1cccc(-c2nc(CN[C@@H](C)CCCC#N)co2)c1 ZINC001172490596 1132247051 /nfs/dbraw/zinc/24/70/51/1132247051.db2.gz ILADEDPZRYHOJB-ZDUSSCGKSA-N 0 3 299.374 3.522 20 30 CHEDHN C[C@@H](CCCC#N)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001172491888 1132247327 /nfs/dbraw/zinc/24/73/27/1132247327.db2.gz HSSMRNZJYFGAOS-AWEZNQCLSA-N 0 3 291.826 3.544 20 30 CHEDHN CCCCCCC[C@@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172501668 1132251721 /nfs/dbraw/zinc/25/17/21/1132251721.db2.gz JGRWZORHOHYBON-JKSUJKDBSA-N 0 3 295.471 3.617 20 30 CHEDHN CCCCCCCC[C@@H](CC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172505251 1132254056 /nfs/dbraw/zinc/25/40/56/1132254056.db2.gz KXZDIEZVJSVMJV-JKSUJKDBSA-N 0 3 295.471 3.617 20 30 CHEDHN CCCCCCC[C@@H](CCC)N1CC2(C1)CS(=O)C2 ZINC001172508873 1132257387 /nfs/dbraw/zinc/25/73/87/1132257387.db2.gz PVNAPZAJCMWLRA-OAHLLOKOSA-N 0 3 285.497 3.580 20 30 CHEDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)CC#N)c([O-])c1 ZINC000840787360 1132287685 /nfs/dbraw/zinc/28/76/85/1132287685.db2.gz LBIHUYTYRVTXRE-ZDUSSCGKSA-N 0 3 260.381 3.600 20 30 CHEDHN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)c2c1c(F)ccc2[O-] ZINC000840787122 1132287773 /nfs/dbraw/zinc/28/77/73/1132287773.db2.gz IFRRZLOGVFRCRB-ZYHUDNBSSA-N 0 3 276.355 3.609 20 30 CHEDHN Cc1c(C)c(C)c(CN2CC(CC#N)C2)c(C)c1C ZINC001231493485 1132305643 /nfs/dbraw/zinc/30/56/43/1132305643.db2.gz YSWAZKRYCUPCCA-UHFFFAOYSA-N 0 3 256.393 3.574 20 30 CHEDHN C=C[C@@H](N[C@H](C)CCC(=O)OC(C)C)c1ccccc1 ZINC001172749290 1132306744 /nfs/dbraw/zinc/30/67/44/1132306744.db2.gz JOOOJXSSVGDMSY-GDBMZVCRSA-N 0 3 275.392 3.624 20 30 CHEDHN C=CCOc1cccc(CN2CC[C@H](F)C(F)(F)CC2)c1 ZINC001231621166 1132326074 /nfs/dbraw/zinc/32/60/74/1132326074.db2.gz SHDJFXHSPROGOR-HNNXBMFYSA-N 0 3 299.336 3.821 20 30 CHEDHN CCCCCCC[N@H+](CC)Cc1nc(C)ccc1[O-] ZINC001231672592 1132343172 /nfs/dbraw/zinc/34/31/72/1132343172.db2.gz LEEBRWTZZPEPTJ-UHFFFAOYSA-N 0 3 264.413 3.888 20 30 CHEDHN CCCCCCC[N@@H+](CC)Cc1nc(C)ccc1[O-] ZINC001231672592 1132343181 /nfs/dbraw/zinc/34/31/81/1132343181.db2.gz LEEBRWTZZPEPTJ-UHFFFAOYSA-N 0 3 264.413 3.888 20 30 CHEDHN CCCCCCCN(C)Cc1cccc(COC)n1 ZINC001232255398 1132443744 /nfs/dbraw/zinc/44/37/44/1132443744.db2.gz FSZARLQRXHDALD-UHFFFAOYSA-N 0 3 264.413 3.630 20 30 CHEDHN C=CCOC1CCC(n2c3ccccc3nc2[C@@H](C)N)CC1 ZINC001173308931 1132449786 /nfs/dbraw/zinc/44/97/86/1132449786.db2.gz PSVWLVGHKHYWMN-WLYUNCDWSA-N 0 3 299.418 3.742 20 30 CHEDHN Cc1cccc(CN2CCC[C@H](C#N)CC2)c1OC(C)C ZINC001232391284 1132464444 /nfs/dbraw/zinc/46/44/44/1132464444.db2.gz JSDMQDBVQFTSAQ-INIZCTEOSA-N 0 3 286.419 3.908 20 30 CHEDHN C=CCOC1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC001173316254 1132477129 /nfs/dbraw/zinc/47/71/29/1132477129.db2.gz ZAIBQGBNXLPABS-WLYUNCDWSA-N 0 3 275.392 3.557 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc(C2CC2)cs1)c1ccco1 ZINC000842940531 1132480393 /nfs/dbraw/zinc/48/03/93/1132480393.db2.gz GBYWXSSASSTVQC-MWLCHTKSSA-N 0 3 286.356 3.593 20 30 CHEDHN C=CCCCCN(C)Cc1cc(-c2ccccc2)nn1C ZINC001143016259 1132493522 /nfs/dbraw/zinc/49/35/22/1132493522.db2.gz XXVMUCCQYPJLFE-UHFFFAOYSA-N 0 3 283.419 3.875 20 30 CHEDHN CC1(C#N)CCC(N[C@H](CF)c2ccccc2)CC1 ZINC001173589337 1132497023 /nfs/dbraw/zinc/49/70/23/1132497023.db2.gz UZORNDOOMHRXDK-HWOWSKLDSA-N 0 3 260.356 3.759 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2ccc(C(F)F)cc2)CC1 ZINC001143252254 1132523924 /nfs/dbraw/zinc/52/39/24/1132523924.db2.gz WZDSJICAUJBPAD-GFCCVEGCSA-N 0 3 264.319 3.750 20 30 CHEDHN COc1cccc([C@H]2CCN(Cc3ccc(C#N)s3)C2)c1 ZINC001232845075 1132529457 /nfs/dbraw/zinc/52/94/57/1132529457.db2.gz MOKCMWMCZAPPIU-AWEZNQCLSA-N 0 3 298.411 3.618 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cncc(-c3ccccc3)c2)C1 ZINC001232902472 1132539665 /nfs/dbraw/zinc/53/96/65/1132539665.db2.gz LUQODQHKWJOFBE-MRXNPFEDSA-N 0 3 276.383 3.594 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101881 1132572778 /nfs/dbraw/zinc/57/27/78/1132572778.db2.gz IBCWUIOUVNUWCC-UHFFFAOYSA-N 0 3 289.398 3.551 20 30 CHEDHN C=CCN(Cc1sncc1C)C1CCCCC1 ZINC001233322635 1132601655 /nfs/dbraw/zinc/60/16/55/1132601655.db2.gz NRZPOVCANQBLFT-UHFFFAOYSA-N 0 3 250.411 3.772 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cc(F)c(C#N)cc1F ZINC001173930145 1132643224 /nfs/dbraw/zinc/64/32/24/1132643224.db2.gz SDSJUQZJCVRXDR-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN C#Cc1ccc(Nc2ccccc2CN(C)C)cc1F ZINC001173931053 1132644462 /nfs/dbraw/zinc/64/44/62/1132644462.db2.gz DPJOWODYFZUQNV-UHFFFAOYSA-N 0 3 268.335 3.612 20 30 CHEDHN Cc1cc(C)nc(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC001156871400 1132712733 /nfs/dbraw/zinc/71/27/33/1132712733.db2.gz CTJWAECGAJPLHW-ZDUSSCGKSA-N 0 3 251.333 3.743 20 30 CHEDHN Cc1cc(C)nc(NC23CCC(C#N)(CC2)CC3)c1 ZINC001158785772 1132793205 /nfs/dbraw/zinc/79/32/05/1132793205.db2.gz OTBJGEDPZQDMTP-UHFFFAOYSA-N 0 3 255.365 3.727 20 30 CHEDHN C=CCOc1ccccc1[C@H](C)Nc1cccc(N(C)C)n1 ZINC001160178076 1132942438 /nfs/dbraw/zinc/94/24/38/1132942438.db2.gz BRPRBYNOMHAAGT-AWEZNQCLSA-N 0 3 297.402 3.886 20 30 CHEDHN C#CCCCNc1ccnc2ccc(C(F)(F)F)cc21 ZINC001162448468 1133077742 /nfs/dbraw/zinc/07/77/42/1133077742.db2.gz BMHLPAMDSYTXPB-UHFFFAOYSA-N 0 3 278.277 3.501 20 30 CHEDHN Cc1nc(N(CCC#N)C2CCCC2)cc2[nH]ccc21 ZINC001166534296 1133268692 /nfs/dbraw/zinc/26/86/92/1133268692.db2.gz XKSJHADNXRODNA-UHFFFAOYSA-N 0 3 268.364 3.534 20 30 CHEDHN CCN(Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC001203764790 1133366819 /nfs/dbraw/zinc/36/68/19/1133366819.db2.gz YMJHRSNSGCGJST-UHFFFAOYSA-N 0 3 268.335 3.719 20 30 CHEDHN CCCCOc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001203969884 1133390756 /nfs/dbraw/zinc/39/07/56/1133390756.db2.gz DQVFTRLOQIALAA-MRXNPFEDSA-N 0 3 286.419 3.991 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(Cc1cccc3[nH]ccc31)C2 ZINC001205255390 1133550353 /nfs/dbraw/zinc/55/03/53/1133550353.db2.gz FWFSUXNUZIMHMU-UHFFFAOYSA-N 0 3 287.366 3.598 20 30 CHEDHN C#C[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc(F)cc1 ZINC001205980391 1133637270 /nfs/dbraw/zinc/63/72/70/1133637270.db2.gz JNCQTXGRDUHADS-QSPRXWTASA-N 0 3 257.352 3.668 20 30 CHEDHN C#C[C@@H](N[C@H]1C[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC001206091198 1133655527 /nfs/dbraw/zinc/65/55/27/1133655527.db2.gz ILDMUHHWFCPCFY-HNKHHVNMSA-N 0 3 259.780 3.793 20 30 CHEDHN C#Cc1ccc(CN2CCC(c3ccco3)CC2)cc1 ZINC001206591504 1133724194 /nfs/dbraw/zinc/72/41/94/1133724194.db2.gz RQHKDDXBLJCNAB-UHFFFAOYSA-N 0 3 265.356 3.641 20 30 CHEDHN C=CCCCCCCCCCN1C[C@H](F)C[C@@H](CO)C1 ZINC001207895949 1133857136 /nfs/dbraw/zinc/85/71/36/1133857136.db2.gz HAOMNKHMJDBVLK-IAGOWNOFSA-N 0 3 285.447 3.946 20 30 CHEDHN C[C@@H](CN(CCC#N)C1CCCC1)c1ccccc1 ZINC001207904781 1133859280 /nfs/dbraw/zinc/85/92/80/1133859280.db2.gz GJUZMAGINPBHNJ-HNNXBMFYSA-N 0 3 256.393 3.948 20 30 CHEDHN N#Cc1ccc(CCCN2Cc3ccccc3C2)cc1 ZINC001208859908 1133955502 /nfs/dbraw/zinc/95/55/02/1133955502.db2.gz DOLJGAOVHZOLQY-UHFFFAOYSA-N 0 3 262.356 3.507 20 30 CHEDHN C=CCCCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC001209207288 1133987311 /nfs/dbraw/zinc/98/73/11/1133987311.db2.gz QQMKAMAKLSPHMA-UHFFFAOYSA-N 0 3 295.430 3.713 20 30 CHEDHN C=CCCCCN1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001209208664 1133989486 /nfs/dbraw/zinc/98/94/86/1133989486.db2.gz WWNNDVTWJLEZMC-MRXNPFEDSA-N 0 3 290.426 3.861 20 30 CHEDHN C#CCN(CCOc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001209298613 1134003583 /nfs/dbraw/zinc/00/35/83/1134003583.db2.gz DSVKPULBESSTPQ-HXUWFJFHSA-N 0 3 291.394 3.688 20 30 CHEDHN CC(C)(C)c1cc(-n2cc(C#N)c3ccc(N)cc32)ccn1 ZINC001213168867 1134434342 /nfs/dbraw/zinc/43/43/42/1134434342.db2.gz WUTGHMVEPNZLGY-UHFFFAOYSA-N 0 3 290.370 3.777 20 30 CHEDHN C=CCCCCCCCCO[C@@H]1CCNC[C@@H]1F ZINC001217793665 1135002153 /nfs/dbraw/zinc/00/21/53/1135002153.db2.gz DFGACFHRRXEHGG-LSDHHAIUSA-N 0 3 257.393 3.620 20 30 CHEDHN C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cccc3c2CNC3)C1 ZINC001218214259 1135070939 /nfs/dbraw/zinc/07/09/39/1135070939.db2.gz MXRPSIQFQVVUCK-KDOFPFPSSA-N 0 3 269.388 3.970 20 30 CHEDHN C=CC[C@@H](Oc1cccc2c1CNC2)c1ccccc1 ZINC001218304503 1135082432 /nfs/dbraw/zinc/08/24/32/1135082432.db2.gz HEMIIUFHWMNWJV-QGZVFWFLSA-N 0 3 265.356 3.986 20 30 CHEDHN CC(=O)/C=C/c1ccc(O[C@H]2CNCc3ccccc32)cc1 ZINC001218485733 1135113950 /nfs/dbraw/zinc/11/39/50/1135113950.db2.gz FAALDYUAFXVIRT-GHOSXJJBSA-N 0 3 293.366 3.512 20 30 CHEDHN C=CCc1cccc(O[C@H]2CNCc3ccccc32)c1 ZINC001218486928 1135114955 /nfs/dbraw/zinc/11/49/55/1135114955.db2.gz FCIAVCXPCSTOTR-SFHVURJKSA-N 0 3 265.356 3.638 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc(C=C)cc1 ZINC001218840353 1135121473 /nfs/dbraw/zinc/12/14/73/1135121473.db2.gz BKJDXLYCEWOUQK-INIZCTEOSA-N 0 3 272.392 3.732 20 30 CHEDHN C=CCCCCCCNCc1ccc([N+](=O)[O-])cc1F ZINC000313446459 1135138931 /nfs/dbraw/zinc/13/89/31/1135138931.db2.gz BJJWUEUANSHKCI-UHFFFAOYSA-N 0 3 280.343 3.960 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000573323513 334927843 /nfs/dbraw/zinc/92/78/43/334927843.db2.gz LMDNLOUMQIUYEP-IBGZPJMESA-N 0 3 292.382 3.625 20 30 CHEDHN CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccncc1 ZINC000353271455 529673032 /nfs/dbraw/zinc/67/30/32/529673032.db2.gz YMWDHWPMXRBPOO-ROUUACIJSA-N 0 3 277.371 3.681 20 30 CHEDHN CN(Cc1ccc2occc2c1)Cc1cccc(C#N)c1 ZINC000347600270 529992027 /nfs/dbraw/zinc/99/20/27/529992027.db2.gz ZWAHMQKDHOXQPR-UHFFFAOYSA-N 0 3 276.339 3.936 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)c(F)c1 ZINC000574258261 335004525 /nfs/dbraw/zinc/00/45/25/335004525.db2.gz XMPVVZBKWZWVAO-JTQLQIEISA-N 0 3 266.747 3.824 20 30 CHEDHN CCCC[C@@H](NCCCC#N)c1ccc(OC)cc1 ZINC000182156550 261927254 /nfs/dbraw/zinc/92/72/54/261927254.db2.gz FQYQTOOKKINMPF-MRXNPFEDSA-N 0 3 260.381 3.820 20 30 CHEDHN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1ccc(C#N)cc1 ZINC000344321702 533538467 /nfs/dbraw/zinc/53/84/67/533538467.db2.gz JPNRRXMXNXJUPH-ACJLOTCBSA-N 0 3 277.371 3.755 20 30 CHEDHN Cc1[nH]c2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2c1C ZINC000336170479 533621272 /nfs/dbraw/zinc/62/12/72/533621272.db2.gz GWDYGLUNWMBJNK-DZGCQCFKSA-N 0 3 267.376 3.567 20 30 CHEDHN C=CCCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000338568473 262547728 /nfs/dbraw/zinc/54/77/28/262547728.db2.gz NEWBLAVQZYHLPH-JTQLQIEISA-N 0 3 290.354 3.917 20 30 CHEDHN N#Cc1ccccc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC000035163411 172024832 /nfs/dbraw/zinc/02/48/32/172024832.db2.gz FSIMXDFYCROOJS-GDBMZVCRSA-N 0 3 254.377 3.570 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000037185916 173017570 /nfs/dbraw/zinc/01/75/70/173017570.db2.gz YJVGSOKUGMJXSW-KGLIPLIRSA-N 0 3 250.345 3.970 20 30 CHEDHN CCN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000077012544 177147826 /nfs/dbraw/zinc/14/78/26/177147826.db2.gz SDULJNVHEJFUKX-UHFFFAOYSA-N 0 3 280.371 3.611 20 30 CHEDHN N#CC(C(=O)c1cc(F)c2ccccc2c1)c1ccccn1 ZINC000344728821 225144703 /nfs/dbraw/zinc/14/47/03/225144703.db2.gz DKYJBDNXLDNYDV-HNNXBMFYSA-N 0 3 290.297 3.864 20 30 CHEDHN CC(C#N)C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000334791365 225322753 /nfs/dbraw/zinc/32/27/53/225322753.db2.gz QFMGFYPPPBVSCV-ZBFHGGJFSA-N 0 3 282.387 3.680 20 30 CHEDHN CC(C#N)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000335002088 225392490 /nfs/dbraw/zinc/39/24/90/225392490.db2.gz HMORJVCDOFBHGV-DTWKUNHWSA-N 0 3 297.185 3.599 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3cccc(F)c3F)CC2)C1 ZINC000335666002 226534428 /nfs/dbraw/zinc/53/44/28/226534428.db2.gz NBOHUYSXZZWQOS-TZMCWYRMSA-N 0 3 290.357 3.836 20 30 CHEDHN C[C@@H]1CCN(Cc2cc(C#N)cs2)CC12CCC2 ZINC000354916680 227231460 /nfs/dbraw/zinc/23/14/60/227231460.db2.gz HWJGIJBDXFRZQD-GFCCVEGCSA-N 0 3 260.406 3.632 20 30 CHEDHN C[C@@H](NCCCCC(C)(C)C#N)c1c(F)cncc1F ZINC000353218022 228070754 /nfs/dbraw/zinc/07/07/54/228070754.db2.gz JCDHAODATLQMGE-LLVKDONJSA-N 0 3 281.350 3.730 20 30 CHEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000336183005 228208306 /nfs/dbraw/zinc/20/83/06/228208306.db2.gz QQABXEANIGYDSB-BXUZGUMPSA-N 0 3 276.767 3.553 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3c(F)cccc32)s1 ZINC000336213177 228214895 /nfs/dbraw/zinc/21/48/95/228214895.db2.gz JWXPAWISIGNLTJ-INIZCTEOSA-N 0 3 286.375 3.926 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000037214519 260074811 /nfs/dbraw/zinc/07/48/11/260074811.db2.gz AGYFSOWOASZNEP-OAHLLOKOSA-N 0 3 280.371 3.748 20 30 CHEDHN CCCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000037501696 260113616 /nfs/dbraw/zinc/11/36/16/260113616.db2.gz IINJKUFWFLPNJF-UHFFFAOYSA-N 0 3 280.371 3.637 20 30 CHEDHN CC[C@H](C)[C@@H](C)NCc1ccc(Br)cc1C#N ZINC000310310481 260212500 /nfs/dbraw/zinc/21/25/00/260212500.db2.gz TUTFVRLILQJQHF-WDEREUQCSA-N 0 3 295.224 3.845 20 30 CHEDHN COc1ccc(CN2CCCC(C)(C)CC2)cc1C#N ZINC000087833448 260219257 /nfs/dbraw/zinc/21/92/57/260219257.db2.gz JAQMYGVRMFGQCM-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN COc1ccc(CN(C)Cc2ccc(C)cc2)cc1C#N ZINC000087833122 260219638 /nfs/dbraw/zinc/21/96/38/260219638.db2.gz LEHVLPKEWLLWKN-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN N#CCC1(CNCc2cccc3ccccc32)CC1 ZINC000088249871 260229839 /nfs/dbraw/zinc/22/98/39/260229839.db2.gz KXOHRBQWVRXXAK-UHFFFAOYSA-N 0 3 250.345 3.623 20 30 CHEDHN Cc1cccnc1[C@H](NCCC(C)(C)C#N)C(C)C ZINC000131876361 260881989 /nfs/dbraw/zinc/88/19/89/260881989.db2.gz PJQNSNRAANDTJU-CQSZACIVSA-N 0 3 259.397 3.617 20 30 CHEDHN CC1CCC(N(C)Cc2cc(F)ccc2C#N)CC1 ZINC000229956671 261242366 /nfs/dbraw/zinc/24/23/66/261242366.db2.gz XQDGRYHPLTVIIG-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OC(C)(C)C)CC1 ZINC000162318982 261276996 /nfs/dbraw/zinc/27/69/96/261276996.db2.gz SHHLCZBMOWWNDT-AWEZNQCLSA-N 0 3 286.419 3.899 20 30 CHEDHN C[C@H](CNc1ccc(C#N)cc1F)N(C)Cc1ccccc1 ZINC000301285711 261332960 /nfs/dbraw/zinc/33/29/60/261332960.db2.gz VFUFEZXJZYDTMN-CQSZACIVSA-N 0 3 297.377 3.630 20 30 CHEDHN C[C@@H](CNc1ccc(F)cc1C#N)N(C)Cc1ccccc1 ZINC000301408644 261333643 /nfs/dbraw/zinc/33/36/43/261333643.db2.gz WTDJWYBJJZLMIJ-AWEZNQCLSA-N 0 3 297.377 3.630 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccccc1SC ZINC000184086038 262008158 /nfs/dbraw/zinc/00/81/58/262008158.db2.gz PLKLZFJKENXKFS-JSGCOSHPSA-N 0 3 262.422 3.621 20 30 CHEDHN CC[C@@H](NCCCC(C)(C)C#N)c1nc(C)cs1 ZINC000184343895 262017580 /nfs/dbraw/zinc/01/75/80/262017580.db2.gz GLAIVPBRPASZBO-GFCCVEGCSA-N 0 3 265.426 3.822 20 30 CHEDHN CCCOCc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185785161 262070576 /nfs/dbraw/zinc/07/05/76/262070576.db2.gz GWDPPMKCGFFQDD-QAPCUYQASA-N 0 3 286.419 3.785 20 30 CHEDHN CCCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185783754 262070922 /nfs/dbraw/zinc/07/09/22/262070922.db2.gz NWJVLDIKEJPENJ-HZPDHXFCSA-N 0 3 272.392 3.647 20 30 CHEDHN CC(C)(COCc1ccccc1)NCc1cccc(C#N)c1 ZINC000390013917 262077221 /nfs/dbraw/zinc/07/72/21/262077221.db2.gz OWRWMLSUBUIWBP-UHFFFAOYSA-N 0 3 294.398 3.643 20 30 CHEDHN C=CCC[C@H](NC[C@H](CC)N1CCCC1)c1ccco1 ZINC000514084606 262092467 /nfs/dbraw/zinc/09/24/67/262092467.db2.gz RAVYVCIOUVLPBE-HOTGVXAUSA-N 0 3 276.424 3.751 20 30 CHEDHN CC[C@H](CC#N)NC[C@H](C)c1cccc(Cl)c1 ZINC000188487050 262157043 /nfs/dbraw/zinc/15/70/43/262157043.db2.gz NPTVDVGQJYTIPN-SMDDNHRTSA-N 0 3 250.773 3.725 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000192626598 262206795 /nfs/dbraw/zinc/20/67/95/262206795.db2.gz BXDBHWLMWUFMSS-OLZOCXBDSA-N 0 3 298.308 3.757 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@H]32)c(Cl)c1 ZINC000228719680 262343537 /nfs/dbraw/zinc/34/35/37/262343537.db2.gz XWXSNPHPHBKFAR-CZUORRHYSA-N 0 3 274.795 3.976 20 30 CHEDHN C=C(C)COCCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000163756932 262377681 /nfs/dbraw/zinc/37/76/81/262377681.db2.gz KNTWQKAYVQYTQE-INIZCTEOSA-N 0 3 279.811 3.973 20 30 CHEDHN CN(Cc1cccc(C#N)c1)c1ccnc2ccccc21 ZINC000061948187 262407331 /nfs/dbraw/zinc/40/73/31/262407331.db2.gz NUDSTQRATKXOBQ-UHFFFAOYSA-N 0 3 273.339 3.743 20 30 CHEDHN C=CCC[C@H](N[C@@H]1C[C@@H](OC)C12CCC2)c1ccco1 ZINC000414197361 262817337 /nfs/dbraw/zinc/81/73/37/262817337.db2.gz VQIYJFUSPNZOAE-NUEKZKHPSA-N 0 3 275.392 3.834 20 30 CHEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1F ZINC000414160091 262818971 /nfs/dbraw/zinc/81/89/71/262818971.db2.gz CJPRVRAIKSYSGD-CQSZACIVSA-N 0 3 266.335 3.945 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000271989050 263000970 /nfs/dbraw/zinc/00/09/70/263000970.db2.gz DGCMOGZIXFBWKG-KGLIPLIRSA-N 0 3 292.448 3.576 20 30 CHEDHN CC[C@H](NCCC(C)(C)C#N)c1ccc(F)cc1F ZINC000272056818 263001767 /nfs/dbraw/zinc/00/17/67/263001767.db2.gz VSZUEGLTYGJCOY-AWEZNQCLSA-N 0 3 266.335 3.945 20 30 CHEDHN C[C@H]1COc2ccccc2CN1CCCC(C)(C)C#N ZINC000272885311 263009576 /nfs/dbraw/zinc/00/95/76/263009576.db2.gz CYMPWHALQNYYAI-AWEZNQCLSA-N 0 3 272.392 3.599 20 30 CHEDHN N#CCCCN[C@H](c1ccc(Br)cc1)C1CC1 ZINC000273162420 263013527 /nfs/dbraw/zinc/01/35/27/263013527.db2.gz ACEMOCVEOGUWSE-AWEZNQCLSA-N 0 3 293.208 3.794 20 30 CHEDHN Cc1nc(C(C)(C)C)sc1[C@H](C)NCCCC#N ZINC000273187599 263013708 /nfs/dbraw/zinc/01/37/08/263013708.db2.gz GDASRVJQPWRVKV-JTQLQIEISA-N 0 3 265.426 3.703 20 30 CHEDHN C[C@@H](CCC#N)N(C)CCc1ccc(Br)cc1 ZINC000276322618 263035946 /nfs/dbraw/zinc/03/59/46/263035946.db2.gz PEVZMRARDIVYKS-LBPRGKRZSA-N 0 3 295.224 3.616 20 30 CHEDHN CC[C@@H](NCCCC#N)c1cccc(Cl)c1F ZINC000274080923 263021415 /nfs/dbraw/zinc/02/14/15/263021415.db2.gz RAZUJQDIXJZWAH-GFCCVEGCSA-N 0 3 254.736 3.824 20 30 CHEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000274560246 263026058 /nfs/dbraw/zinc/02/60/58/263026058.db2.gz YJYQBQISNVVWAL-HCKVZZMMSA-N 0 3 264.319 3.698 20 30 CHEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1F ZINC000274618294 263027921 /nfs/dbraw/zinc/02/79/21/263027921.db2.gz LOTOSGJOYXXJDK-NVBFEUDRSA-N 0 3 264.319 3.698 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC[C@H]1c1ccncc1 ZINC000277843246 263043973 /nfs/dbraw/zinc/04/39/73/263043973.db2.gz XCJUKVCKEBGEKI-INIZCTEOSA-N 0 3 271.408 3.939 20 30 CHEDHN Cc1ccc(C)c(OC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000278761278 263050728 /nfs/dbraw/zinc/05/07/28/263050728.db2.gz XVOARCDFFCCVRN-SJORKVTESA-N 0 3 298.430 3.839 20 30 CHEDHN CO[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000279673425 263056577 /nfs/dbraw/zinc/05/65/77/263056577.db2.gz GDRJZSLGOBRAEN-DOXZYTNZSA-N 0 3 294.398 3.985 20 30 CHEDHN N#CC1CCC(CNCc2cc(F)c(F)cc2F)CC1 ZINC000281578017 263070385 /nfs/dbraw/zinc/07/03/85/263070385.db2.gz DAMDXPIESTVXGI-UHFFFAOYSA-N 0 3 282.309 3.523 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(N2CCCC2)c1 ZINC000282161465 263074593 /nfs/dbraw/zinc/07/45/93/263074593.db2.gz DJTBTPGMFXROLL-UXLLHSPISA-N 0 3 283.419 3.630 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000282352821 263076119 /nfs/dbraw/zinc/07/61/19/263076119.db2.gz PKQMAUXZQOSQBI-UHIISALHSA-N 0 3 293.208 3.792 20 30 CHEDHN N#CCC[C@@H](N[C@H]1CCC12CCC2)c1ccccc1 ZINC000282406346 263076395 /nfs/dbraw/zinc/07/63/95/263076395.db2.gz YBICAUVZMJPIJY-CVEARBPZSA-N 0 3 254.377 3.954 20 30 CHEDHN CC(C)(C)c1nc(CNCC2CCC(C#N)CC2)cs1 ZINC000282432713 263076543 /nfs/dbraw/zinc/07/65/43/263076543.db2.gz RKQIYMSJIODMEN-UHFFFAOYSA-N 0 3 291.464 3.860 20 30 CHEDHN N#CCCCN1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000286981582 263100307 /nfs/dbraw/zinc/10/03/07/263100307.db2.gz ORSGRPPJGXYKIA-UHFFFAOYSA-N 0 3 285.366 3.790 20 30 CHEDHN N#CC1CCC(CNCc2ccnc(Cl)c2Cl)CC1 ZINC000291524150 263123860 /nfs/dbraw/zinc/12/38/60/263123860.db2.gz JMACPDJGXDOIDV-UHFFFAOYSA-N 0 3 298.217 3.808 20 30 CHEDHN CCCOc1ccc2c(c1)CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000293904199 263152131 /nfs/dbraw/zinc/15/21/31/263152131.db2.gz WHJMNKHFYZSVHL-YOEHRIQHSA-N 0 3 284.403 3.526 20 30 CHEDHN C[C@H]1C[C@H]1c1ccc(CN[C@H]2CC[C@@H](CC#N)C2)o1 ZINC000295075817 263172067 /nfs/dbraw/zinc/17/20/67/263172067.db2.gz PRPGLSBKYCAKDV-PWNZVWSESA-N 0 3 258.365 3.575 20 30 CHEDHN CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(C)cc1[O-] ZINC000296622557 263194408 /nfs/dbraw/zinc/19/44/08/263194408.db2.gz WZFDMRCVPIHUMZ-OFQRWUPVSA-N 0 3 272.392 3.824 20 30 CHEDHN CC(C)Oc1cccc([C@H](C)N[C@@H](C)CCC#N)c1 ZINC000299184671 263234295 /nfs/dbraw/zinc/23/42/95/263234295.db2.gz ADMAEIOPKAIQRR-KBPBESRZSA-N 0 3 260.381 3.817 20 30 CHEDHN CCOc1ccc(CN(CCCC#N)C(C)C)cc1 ZINC000299342136 263240275 /nfs/dbraw/zinc/24/02/75/263240275.db2.gz ALEJZSANCXNLTK-UHFFFAOYSA-N 0 3 260.381 3.599 20 30 CHEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000299697100 263252121 /nfs/dbraw/zinc/25/21/21/263252121.db2.gz OMAWZGUQHIVUQO-MNOVXSKESA-N 0 3 268.307 3.631 20 30 CHEDHN C=C(CC)CN[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000340850598 263309396 /nfs/dbraw/zinc/30/93/96/263309396.db2.gz OKUIXHLBRCDOER-MRXNPFEDSA-N 0 3 275.392 3.625 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C2CC2)cc1 ZINC000417355048 263799190 /nfs/dbraw/zinc/79/91/90/263799190.db2.gz NCGUBYZEVFRRGE-AHIWAGSCSA-N 0 3 254.377 3.907 20 30 CHEDHN CS[C@@H]1CC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000425353826 264125669 /nfs/dbraw/zinc/12/56/69/264125669.db2.gz NJGLOEQCOMEBSV-UONOGXRCSA-N 0 3 299.361 3.541 20 30 CHEDHN CC(C)[C@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331305963 264201350 /nfs/dbraw/zinc/20/13/50/264201350.db2.gz AYNWBXVPSFNZNW-KRWDZBQOSA-N 0 3 299.418 3.525 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc(C)cc1Cl ZINC000425367973 264213551 /nfs/dbraw/zinc/21/35/51/264213551.db2.gz JFGMBOACMKXQAP-CHWSQXEVSA-N 0 3 294.826 3.777 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1ccc(Br)s1 ZINC000157230132 264249438 /nfs/dbraw/zinc/24/94/38/264249438.db2.gz FLTDQJRPWFPZEK-JGVFFNPUSA-N 0 3 260.200 3.736 20 30 CHEDHN C=CCN(CCCCOC)Cc1ccc(Cl)s1 ZINC000074328923 264305297 /nfs/dbraw/zinc/30/52/97/264305297.db2.gz XXUAYYLMISDZTO-UHFFFAOYSA-N 0 3 273.829 3.816 20 30 CHEDHN C=CCC[C@H](NC[C@H](c1ccco1)N(C)C)c1ccco1 ZINC000285889402 264564564 /nfs/dbraw/zinc/56/45/64/264564564.db2.gz ZXYSIWKXHFRQBZ-LSDHHAIUSA-N 0 3 288.391 3.772 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1 ZINC000093492410 265184032 /nfs/dbraw/zinc/18/40/32/265184032.db2.gz CBCCDYCGGBAOTD-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2F)CC12CCC2 ZINC000357023692 266233652 /nfs/dbraw/zinc/23/36/52/266233652.db2.gz LNPNWOCOOARPLW-ZDUSSCGKSA-N 0 3 272.367 3.709 20 30 CHEDHN C=CCSCCN[C@@H](CC)c1cc(C)ccc1OC ZINC000358023762 266399391 /nfs/dbraw/zinc/39/93/91/266399391.db2.gz KTIMDAQLCOJICM-HNNXBMFYSA-N 0 3 279.449 3.964 20 30 CHEDHN Cc1nc2c(s1)[C@H](N[C@H]1CCC[C@H](C#N)C1)CCC2 ZINC000368631637 267192712 /nfs/dbraw/zinc/19/27/12/267192712.db2.gz JYEONBGPRSDGEQ-SGMGOOAPSA-N 0 3 275.421 3.501 20 30 CHEDHN CCC[C@@H](Cc1ccccc1)NCC1(C#N)CCC1 ZINC000418140450 267361894 /nfs/dbraw/zinc/36/18/94/267361894.db2.gz JLWITRHVKVBBNT-INIZCTEOSA-N 0 3 256.393 3.681 20 30 CHEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCC1 ZINC000418144735 267366669 /nfs/dbraw/zinc/36/66/69/267366669.db2.gz VCIJJLMERPWRAS-LBPRGKRZSA-N 0 3 296.336 3.920 20 30 CHEDHN C[C@@H](Cc1cccc(Cl)c1)NCC1(C#N)CCC1 ZINC000418136040 267367436 /nfs/dbraw/zinc/36/74/36/267367436.db2.gz BVACIVIZFLKEMI-LBPRGKRZSA-N 0 3 262.784 3.554 20 30 CHEDHN C[C@@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CCC1 ZINC000418137225 267369781 /nfs/dbraw/zinc/36/97/81/267369781.db2.gz DKZVUXDPYHYIJB-LBPRGKRZSA-N 0 3 296.336 3.920 20 30 CHEDHN C[C@@H](NCc1cccc2cccnc21)c1cccc(C#N)c1 ZINC000174431904 327644243 /nfs/dbraw/zinc/64/42/43/327644243.db2.gz OEIPQRZZIHWULU-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN COc1ccc(Cl)cc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185800253 327845327 /nfs/dbraw/zinc/84/53/27/327845327.db2.gz MURPIOWYQSDEFM-BXUZGUMPSA-N 0 3 278.783 3.521 20 30 CHEDHN Cc1cccnc1[C@@H](N[C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000185834517 327847119 /nfs/dbraw/zinc/84/71/19/327847119.db2.gz MSSQUBSLDOCEBQ-JYJNAYRXSA-N 0 3 271.408 3.759 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000185850118 327848083 /nfs/dbraw/zinc/84/80/83/327848083.db2.gz AZTUWXRPDJUIJQ-IPYPFGDCSA-N 0 3 287.363 3.636 20 30 CHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(F)c1F ZINC000185869730 327848869 /nfs/dbraw/zinc/84/88/69/327848869.db2.gz UVRWYOKYAXENCF-SRVKXCTJSA-N 0 3 264.319 3.698 20 30 CHEDHN CC[C@@H](CNCc1cccc(C#N)c1)Oc1cccc(F)c1 ZINC000531478599 327941653 /nfs/dbraw/zinc/94/16/53/327941653.db2.gz SPBYXEGBMYRZPJ-KRWDZBQOSA-N 0 3 298.361 3.645 20 30 CHEDHN C[C@@]1(c2ccccc2)CCN(Cc2ccccc2C#N)C1 ZINC000531780946 328033350 /nfs/dbraw/zinc/03/33/50/328033350.db2.gz DGCDGSMGNAZZLH-LJQANCHMSA-N 0 3 276.383 3.722 20 30 CHEDHN CC[C@@H](CC#N)NCCCSCc1ccccc1 ZINC000563368001 328059841 /nfs/dbraw/zinc/05/98/41/328059841.db2.gz SVONHYUCHPTRCC-HNNXBMFYSA-N 0 3 262.422 3.592 20 30 CHEDHN C[C@@H](c1ccccc1F)N1CCC(CCC#N)CC1 ZINC000571519532 328131396 /nfs/dbraw/zinc/13/13/96/328131396.db2.gz RWXKDTZUAWYUPF-ZDUSSCGKSA-N 0 3 260.356 3.902 20 30 CHEDHN C[C@H](c1ccccc1F)N1CCC(CCC#N)CC1 ZINC000571519526 328131581 /nfs/dbraw/zinc/13/15/81/328131581.db2.gz RWXKDTZUAWYUPF-CYBMUJFWSA-N 0 3 260.356 3.902 20 30 CHEDHN Cc1cc(C)cc([C@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000266483810 328169559 /nfs/dbraw/zinc/16/95/59/328169559.db2.gz UHJVUKBHJFTQJF-DNVCBOLYSA-N 0 3 294.398 3.559 20 30 CHEDHN C[C@H](C#N)CN(C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437596529 328209395 /nfs/dbraw/zinc/20/93/95/328209395.db2.gz YXQUSVHONXGTNS-OIISXLGYSA-N 0 3 256.393 3.588 20 30 CHEDHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000274206258 328209578 /nfs/dbraw/zinc/20/95/78/328209578.db2.gz MFXKUYZINIEHNX-SOUVJXGZSA-N 0 3 272.392 3.737 20 30 CHEDHN COc1ccc2c(c1)CN(CCCCC(C)(C)C#N)CC2 ZINC000277753702 328222421 /nfs/dbraw/zinc/22/24/21/328222421.db2.gz PVCIWNUYGDLTDW-UHFFFAOYSA-N 0 3 286.419 3.773 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)c(F)c1 ZINC000050266859 328394650 /nfs/dbraw/zinc/39/46/50/328394650.db2.gz PHOQDUFCEUVUGI-INIZCTEOSA-N 0 3 280.346 3.687 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(Br)cc1OC ZINC000190447363 328490124 /nfs/dbraw/zinc/49/01/24/328490124.db2.gz XOCGEENCYHXWKK-SNVBAGLBSA-N 0 3 284.197 3.684 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1csc(Cl)c1 ZINC000191396341 328507891 /nfs/dbraw/zinc/50/78/91/328507891.db2.gz MZAQKUSATRMGEQ-JTQLQIEISA-N 0 3 259.802 3.645 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000584121004 327044238 /nfs/dbraw/zinc/04/42/38/327044238.db2.gz ZKRDNQLEOYEVGY-RDTXWAMCSA-N 0 3 296.414 3.558 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CCC#N)CC1 ZINC000584170253 327056369 /nfs/dbraw/zinc/05/63/69/327056369.db2.gz FWASCGHBKVXUAF-AWEZNQCLSA-N 0 3 267.376 3.635 20 30 CHEDHN C=CCCC[C@@H](C)N[C@H](C)c1cc(OC)ncc1F ZINC000558254380 327082548 /nfs/dbraw/zinc/08/25/48/327082548.db2.gz CALOVSFSYUWXCC-VXGBXAGGSA-N 0 3 266.360 3.625 20 30 CHEDHN CC[C@@H]1CC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000558256658 327083190 /nfs/dbraw/zinc/08/31/90/327083190.db2.gz UYOMXRFRSLFYSO-HIFRSBDPSA-N 0 3 281.321 3.835 20 30 CHEDHN C[C@@H]1CCCC[C@H]1OCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000558503773 327099380 /nfs/dbraw/zinc/09/93/80/327099380.db2.gz CFMFZGKENOTLSV-MDASCCDHSA-N 0 3 298.430 3.730 20 30 CHEDHN N#CCCOCCN1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000559110439 327141757 /nfs/dbraw/zinc/14/17/57/327141757.db2.gz MQMIEJZRMAQYLV-TZZQJPOUSA-N 0 3 298.430 3.875 20 30 CHEDHN C=CCOCCN[C@@H](c1ccccc1F)C1CCCC1 ZINC000559147067 327143296 /nfs/dbraw/zinc/14/32/96/327143296.db2.gz LSMNSMLEYAYOOZ-QGZVFWFLSA-N 0 3 277.383 3.849 20 30 CHEDHN C=CCC(C)(C)CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000559308108 327157519 /nfs/dbraw/zinc/15/75/19/327157519.db2.gz FDJJUPZLHUKEJA-UHFFFAOYSA-N 0 3 292.379 3.685 20 30 CHEDHN N#CC1(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000559334013 327161240 /nfs/dbraw/zinc/16/12/40/327161240.db2.gz BWZSNSRKAJJGLU-MRXNPFEDSA-N 0 3 270.351 3.655 20 30 CHEDHN N#Cc1cccc(CNCc2ccc(C(F)F)cc2)c1 ZINC000131360299 327161918 /nfs/dbraw/zinc/16/19/18/327161918.db2.gz FJMUKYDGDZRTKB-UHFFFAOYSA-N 0 3 272.298 3.786 20 30 CHEDHN N#CC1(CN[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000560146007 327287028 /nfs/dbraw/zinc/28/70/28/327287028.db2.gz JUCZFOOFGWISTE-HIFRSBDPSA-N 0 3 274.795 3.869 20 30 CHEDHN C=CCC[C@@H](NCC(C)(C)[C@@H](O)C(C)C)c1ccco1 ZINC000560544983 327322507 /nfs/dbraw/zinc/32/25/07/327322507.db2.gz RVXXBUGJUHWDBB-ZBFHGGJFSA-N 0 3 279.424 3.920 20 30 CHEDHN C=CCC[C@H](NCCOc1ccccc1)c1ccco1 ZINC000562854336 327520103 /nfs/dbraw/zinc/52/01/03/327520103.db2.gz JZNJVZFGTZHIRP-INIZCTEOSA-N 0 3 271.360 3.956 20 30 CHEDHN C=CCCCCCNCc1cnc([C@H]2CCCO2)s1 ZINC000573020338 327596648 /nfs/dbraw/zinc/59/66/48/327596648.db2.gz HTBHRMRUPAKUBH-CQSZACIVSA-N 0 3 280.437 3.831 20 30 CHEDHN C=C(C)CN(CC)C(=O)CN[C@H](CCC)c1ccccc1 ZINC000357298376 328868677 /nfs/dbraw/zinc/86/86/77/328868677.db2.gz ZTIMRULVVBDEER-QGZVFWFLSA-N 0 3 288.435 3.542 20 30 CHEDHN C=CCN(C)C/C(C)=C\c1ccccc1OC(F)F ZINC000582518149 329100074 /nfs/dbraw/zinc/10/00/74/329100074.db2.gz JUUPJMUIGSBOHZ-BENRWUELSA-N 0 3 267.319 3.809 20 30 CHEDHN N#CC1(CNCCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000582583104 329110378 /nfs/dbraw/zinc/11/03/78/329110378.db2.gz SPSXZYMTPAHQOL-UHFFFAOYSA-N 0 3 296.336 3.921 20 30 CHEDHN C=C(C)CNC1(c2ccc(Br)cc2)CC1 ZINC000174837653 329161467 /nfs/dbraw/zinc/16/14/67/329161467.db2.gz DEFAXWJDNHTDRX-UHFFFAOYSA-N 0 3 266.182 3.604 20 30 CHEDHN CN(CCCC(C)(C)C#N)Cc1ccc(F)c(F)c1 ZINC000174816097 329161792 /nfs/dbraw/zinc/16/17/92/329161792.db2.gz HYBCFTRWOZKPQG-UHFFFAOYSA-N 0 3 266.335 3.727 20 30 CHEDHN C=CCSCCN[C@@H]1CCCOc2cc(C)ccc21 ZINC000180457850 329217345 /nfs/dbraw/zinc/21/73/45/329217345.db2.gz COZLBGGXQNADEZ-OAHLLOKOSA-N 0 3 277.433 3.718 20 30 CHEDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000180243606 329218803 /nfs/dbraw/zinc/21/88/03/329218803.db2.gz QDVYSAAOOROQFF-RYUDHWBXSA-N 0 3 280.462 3.726 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181323775 329231451 /nfs/dbraw/zinc/23/14/51/329231451.db2.gz IPTIMFWXFITDPT-AWEZNQCLSA-N 0 3 252.361 3.975 20 30 CHEDHN C=CCSCCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000182129133 329240114 /nfs/dbraw/zinc/24/01/14/329240114.db2.gz ZNZOVNVMNYWUBJ-CQSZACIVSA-N 0 3 281.396 3.548 20 30 CHEDHN CSc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185796667 329332036 /nfs/dbraw/zinc/33/20/36/329332036.db2.gz TYXZTWHZFUZYAQ-KGLIPLIRSA-N 0 3 260.406 3.580 20 30 CHEDHN N#CCC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000397102650 329341658 /nfs/dbraw/zinc/34/16/58/329341658.db2.gz AHXKFKLRVYGERQ-UHFFFAOYSA-N 0 3 298.308 3.711 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)nc1C ZINC000186662371 329347043 /nfs/dbraw/zinc/34/70/43/329347043.db2.gz GCNMHVCKMRLRIB-UHFFFAOYSA-N 0 3 293.414 3.982 20 30 CHEDHN C=CCCCNCc1nc(-c2ccccc2)cs1 ZINC000310697423 329539440 /nfs/dbraw/zinc/53/94/40/329539440.db2.gz BKLKVDOCYIYCGX-UHFFFAOYSA-N 0 3 258.390 3.866 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000237604686 329694561 /nfs/dbraw/zinc/69/45/61/329694561.db2.gz CYPKUFOPLLWXMX-CXAGYDPISA-N 0 3 296.370 3.738 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CS1 ZINC000421347598 329814881 /nfs/dbraw/zinc/81/48/81/329814881.db2.gz CSCKMVHDWKZYGC-MFKMUULPSA-N 0 3 280.462 3.630 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cscn1 ZINC000571741951 329918941 /nfs/dbraw/zinc/91/89/41/329918941.db2.gz KZCCFPNHXVOLAZ-UKRRQHHQSA-N 0 3 272.417 3.981 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1csc([C@H](C)OC)n1 ZINC000269049246 330065252 /nfs/dbraw/zinc/06/52/52/330065252.db2.gz IBRVYCUHWCUSGB-TUAOUCFPSA-N 0 3 268.426 3.541 20 30 CHEDHN C#CCCCN1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000271023609 330077705 /nfs/dbraw/zinc/07/77/05/330077705.db2.gz JONHFJRKUMGALK-QGZVFWFLSA-N 0 3 281.403 3.607 20 30 CHEDHN C=CCCCN(C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000271191643 330077981 /nfs/dbraw/zinc/07/79/81/330077981.db2.gz LUTAPUJBJSZWJE-UHFFFAOYSA-N 0 3 263.429 3.653 20 30 CHEDHN C#CCCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000271614981 330081590 /nfs/dbraw/zinc/08/15/90/330081590.db2.gz AMGZDMLTMZSCSA-ZDUSSCGKSA-N 0 3 273.273 3.822 20 30 CHEDHN COc1cc(Cl)ccc1[C@@H](C)NCCCCC#N ZINC000421822341 330082871 /nfs/dbraw/zinc/08/28/71/330082871.db2.gz AGPIDJZTHDMRDK-LLVKDONJSA-N 0 3 266.772 3.693 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(Cl)cc1OC ZINC000421841608 330093725 /nfs/dbraw/zinc/09/37/25/330093725.db2.gz JBZUJEJBVJZIMJ-GFCCVEGCSA-N 0 3 283.799 3.592 20 30 CHEDHN CC[C@H](CCc1ccccc1)NCc1nc(C#N)cs1 ZINC000527763868 330281602 /nfs/dbraw/zinc/28/16/02/330281602.db2.gz MSANTKIFEGBMSM-CQSZACIVSA-N 0 3 285.416 3.516 20 30 CHEDHN C=CC[C@@H](C)N[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527870763 330286137 /nfs/dbraw/zinc/28/61/37/330286137.db2.gz RXTJWOHLYAHULH-ZIAGYGMSSA-N 0 3 269.392 3.702 20 30 CHEDHN C[C@H](CN(C)Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000528774609 330286196 /nfs/dbraw/zinc/28/61/96/330286196.db2.gz SDCRCZZDUDQKPJ-CQSZACIVSA-N 0 3 271.408 3.601 20 30 CHEDHN N#CCC1(CN[C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527891891 330292444 /nfs/dbraw/zinc/29/24/44/330292444.db2.gz FIIMPARLGDQSRK-AWEZNQCLSA-N 0 3 278.758 3.750 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000532979451 330323612 /nfs/dbraw/zinc/32/36/12/330323612.db2.gz JSOPMHPOACQRQJ-HNNXBMFYSA-N 0 3 274.408 3.528 20 30 CHEDHN CCCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424200701 330326619 /nfs/dbraw/zinc/32/66/19/330326619.db2.gz RDSDGNUJXIZWAU-JKSUJKDBSA-N 0 3 272.392 3.647 20 30 CHEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1F ZINC000424325993 330341247 /nfs/dbraw/zinc/34/12/47/330341247.db2.gz LOTOSGJOYXXJDK-JVLSTEMRSA-N 0 3 264.319 3.698 20 30 CHEDHN COc1ccc(Cl)cc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424330407 330342104 /nfs/dbraw/zinc/34/21/04/330342104.db2.gz QMZQRBJZEZSIQG-GMXVVIOVSA-N 0 3 278.783 3.691 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000424332193 330342629 /nfs/dbraw/zinc/34/26/29/330342629.db2.gz SQPMBAGGKHETKL-HWWQOWPSSA-N 0 3 274.795 3.999 20 30 CHEDHN Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424333519 330343011 /nfs/dbraw/zinc/34/30/11/330343011.db2.gz ULIOPXYDJQDNKI-KGYLQXTDSA-N 0 3 277.437 3.918 20 30 CHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000533288774 330355984 /nfs/dbraw/zinc/35/59/84/330355984.db2.gz ZWTXJUAQYJPXRN-INIZCTEOSA-N 0 3 288.435 3.716 20 30 CHEDHN Cc1ccc(OCCCNCc2ccc(C#N)cc2F)cc1 ZINC000533311669 330357100 /nfs/dbraw/zinc/35/71/00/330357100.db2.gz VXCPWVNAYFVGBO-UHFFFAOYSA-N 0 3 298.361 3.565 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(Br)c1 ZINC000088249669 330375066 /nfs/dbraw/zinc/37/50/66/330375066.db2.gz MLLMZBBGRNAMRF-NSHDSACASA-N 0 3 293.208 3.794 20 30 CHEDHN C=CCCC[C@@H](C)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545224624 330467406 /nfs/dbraw/zinc/46/74/06/330467406.db2.gz KSEHPMMHBGALLC-OCCSQVGLSA-N 0 3 293.373 3.757 20 30 CHEDHN C[C@H](NCc1cccc(F)c1C#N)C1CCCCC1 ZINC000428301558 330519620 /nfs/dbraw/zinc/51/96/20/330519620.db2.gz AULADJBUTZNSSS-LBPRGKRZSA-N 0 3 260.356 3.756 20 30 CHEDHN CCS[C@@H]1CCCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000429680634 330551780 /nfs/dbraw/zinc/55/17/80/330551780.db2.gz IJNCPOUPBOQOGB-DLBZAZTESA-N 0 3 291.435 3.831 20 30 CHEDHN COc1cc(CN[C@H](CCCC#N)c2ccccc2)ccn1 ZINC000433021614 330612576 /nfs/dbraw/zinc/61/25/76/330612576.db2.gz GVJBBPNNKGNXDR-QGZVFWFLSA-N 0 3 295.386 3.615 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3cccnc3)cc2)C1 ZINC000442774743 330782196 /nfs/dbraw/zinc/78/21/96/330782196.db2.gz FGOMAVXMTTZQJY-MAUKXSAKSA-N 0 3 277.371 3.530 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000442842986 330786424 /nfs/dbraw/zinc/78/64/24/330786424.db2.gz RCBBBARUYUHTPL-MRVWCRGKSA-N 0 3 282.309 3.614 20 30 CHEDHN Cc1cc(CN[C@H]2c3ccccc3C[C@@H]2C)ccc1C#N ZINC000443992024 330808748 /nfs/dbraw/zinc/80/87/48/330808748.db2.gz VTYNRKSITYKLGC-IFXJQAMLSA-N 0 3 276.383 3.890 20 30 CHEDHN CC[C@H](NCCOc1ccccc1)c1ccc(C#N)cc1 ZINC000447513518 330867424 /nfs/dbraw/zinc/86/74/24/330867424.db2.gz WYMYFOCZCCPKOJ-SFHVURJKSA-N 0 3 280.371 3.678 20 30 CHEDHN CC[C@@H](NCCOCc1ccccc1)c1ccc(C#N)cc1 ZINC000447528790 330867971 /nfs/dbraw/zinc/86/79/71/330867971.db2.gz IMCXMCLNQAWJQU-LJQANCHMSA-N 0 3 294.398 3.816 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1nc(C)c(C)s1 ZINC000449166630 330903054 /nfs/dbraw/zinc/90/30/54/330903054.db2.gz FFAYBBXOSABZKZ-LLVKDONJSA-N 0 3 252.427 3.984 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000449194454 330905337 /nfs/dbraw/zinc/90/53/37/330905337.db2.gz PDHMYQLVLLTRSP-CABCVRRESA-N 0 3 290.455 3.961 20 30 CHEDHN C[C@@H](Cc1coc2ccccc12)NCC(C)(C)C#N ZINC000449238940 330908616 /nfs/dbraw/zinc/90/86/16/330908616.db2.gz HSMZPYXPTFPFKA-LBPRGKRZSA-N 0 3 256.349 3.503 20 30 CHEDHN C=C(C)CNCc1cnc(CCc2ccccc2)s1 ZINC000449267982 330910993 /nfs/dbraw/zinc/91/09/93/330910993.db2.gz CRFWPSHMOYFKMZ-UHFFFAOYSA-N 0 3 272.417 3.594 20 30 CHEDHN COc1cccc(Cl)c1CNC1CCC(C)(C#N)CC1 ZINC000449279344 330911354 /nfs/dbraw/zinc/91/13/54/330911354.db2.gz PQHKOSVCXAXAOU-UHFFFAOYSA-N 0 3 292.810 3.911 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000449353140 330917884 /nfs/dbraw/zinc/91/78/84/330917884.db2.gz YLULOCITTDLVGP-KANYHAFZSA-N 0 3 276.330 3.624 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2coc(-c3ccccc3)n2)C1 ZINC000449445204 330926166 /nfs/dbraw/zinc/92/61/66/330926166.db2.gz HQXDIWCWCZIICQ-ZFWWWQNUSA-N 0 3 281.359 3.514 20 30 CHEDHN C=CCOc1cccc(CNCc2cc(C)cs2)c1 ZINC000449477982 330928946 /nfs/dbraw/zinc/92/89/46/330928946.db2.gz JHQOQKPMDNYODB-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN C=C(C)CCN1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451015061 331011742 /nfs/dbraw/zinc/01/17/42/331011742.db2.gz KHGCEIJREDMJRZ-INIZCTEOSA-N 0 3 269.392 3.974 20 30 CHEDHN C=C(C)CCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451015061 331011743 /nfs/dbraw/zinc/01/17/43/331011743.db2.gz KHGCEIJREDMJRZ-INIZCTEOSA-N 0 3 269.392 3.974 20 30 CHEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC12CCCC2 ZINC000451458129 331030234 /nfs/dbraw/zinc/03/02/34/331030234.db2.gz NZRVZCAIXQVJDR-OAHLLOKOSA-N 0 3 258.340 3.510 20 30 CHEDHN C=CCCCCCN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451883659 331046126 /nfs/dbraw/zinc/04/61/26/331046126.db2.gz VKEIITWPRZBFRU-AWEZNQCLSA-N 0 3 292.389 3.549 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453321537 331116505 /nfs/dbraw/zinc/11/65/05/331116505.db2.gz PXWFLMDRJNNQAJ-NSHDSACASA-N 0 3 283.799 3.974 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1cc(C)ccc1OC ZINC000453329419 331117539 /nfs/dbraw/zinc/11/75/39/331117539.db2.gz ACIDOOGXGZXKQU-BBWFWOEESA-N 0 3 289.419 3.778 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cccc(Cl)c1F ZINC000453346098 331120029 /nfs/dbraw/zinc/12/00/29/331120029.db2.gz GRTHGIXPGKECDW-MCIONIFRSA-N 0 3 283.774 3.863 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cccc(Cl)c1 ZINC000453356657 331121695 /nfs/dbraw/zinc/12/16/95/331121695.db2.gz MBQCTYOZLYLANS-ZNMIVQPWSA-N 0 3 265.784 3.724 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCSc2cc(C)c(C)cc21 ZINC000453356521 331121731 /nfs/dbraw/zinc/12/17/31/331121731.db2.gz LTMPROPYFMOWNH-XHSDSOJGSA-N 0 3 289.444 3.773 20 30 CHEDHN C=C(CC)CN[C@@H]1CCCc2nc(CC)sc21 ZINC000453368369 331123610 /nfs/dbraw/zinc/12/36/10/331123610.db2.gz QHHSPHKWRAPWDW-LLVKDONJSA-N 0 3 250.411 3.639 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000453369482 331123751 /nfs/dbraw/zinc/12/37/51/331123751.db2.gz QVBPPOCTMSSKNM-AWEZNQCLSA-N 0 3 289.423 3.833 20 30 CHEDHN CO[C@@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000453376466 331124864 /nfs/dbraw/zinc/12/48/64/331124864.db2.gz IHOJBAMICIUHSM-SCLBCKFNSA-N 0 3 298.361 3.563 20 30 CHEDHN C=C(CC)CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000453379400 331125507 /nfs/dbraw/zinc/12/55/07/331125507.db2.gz WCICNXBVFHYHNI-HNNXBMFYSA-N 0 3 257.377 3.989 20 30 CHEDHN C[C@H](NC[C@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1F ZINC000453426021 331130977 /nfs/dbraw/zinc/13/09/77/331130977.db2.gz OIEJTBHBLKZGTR-JSGCOSHPSA-N 0 3 290.382 3.553 20 30 CHEDHN CC[C@]1(C(C)C)C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000457283114 331218091 /nfs/dbraw/zinc/21/80/91/331218091.db2.gz NLUCCAVUIGKFEL-ZHALLVOQSA-N 0 3 298.430 3.700 20 30 CHEDHN CCC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CCC1 ZINC000458300613 331247629 /nfs/dbraw/zinc/24/76/29/331247629.db2.gz CFHCAAKZMZFNEW-QZTJIDSGSA-N 0 3 298.430 3.844 20 30 CHEDHN CCC(CC)(CC)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459375104 331278870 /nfs/dbraw/zinc/27/88/70/331278870.db2.gz JSVIWCAVFPIHDL-UHFFFAOYSA-N 0 3 275.352 3.525 20 30 CHEDHN COc1cc2ccccc2cc1CNCC(C)(C)CC#N ZINC000459659885 331292680 /nfs/dbraw/zinc/29/26/80/331292680.db2.gz ADFLHHCGHZSBRO-UHFFFAOYSA-N 0 3 282.387 3.878 20 30 CHEDHN C=C(CC)CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459671287 331293430 /nfs/dbraw/zinc/29/34/30/331293430.db2.gz WHZSCUQXZHIGIW-ZDUSSCGKSA-N 0 3 291.357 3.634 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(F)c(Br)c1 ZINC000459694750 331294827 /nfs/dbraw/zinc/29/48/27/331294827.db2.gz NWUGDPCBVODDRV-UHFFFAOYSA-N 0 3 299.187 3.618 20 30 CHEDHN Cc1ccc(-c2ncc(CNCC(C)(C)CC#N)s2)o1 ZINC000459736943 331296973 /nfs/dbraw/zinc/29/69/73/331296973.db2.gz VEONIKCLYVRROI-UHFFFAOYSA-N 0 3 289.404 3.741 20 30 CHEDHN C=CCSCCN[C@H](C)c1ccccc1Cl ZINC000165293846 331306059 /nfs/dbraw/zinc/30/60/59/331306059.db2.gz GYGUEQMUIVFONR-LLVKDONJSA-N 0 3 255.814 3.910 20 30 CHEDHN CC#CCCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000462327920 331319777 /nfs/dbraw/zinc/31/97/77/331319777.db2.gz PWBMTFKEYYHBGC-ZBFHGGJFSA-N 0 3 259.418 3.578 20 30 CHEDHN C=CCOc1ccc(CN(CC)[C@@H]2CCOC2)cc1Cl ZINC000463039009 331338225 /nfs/dbraw/zinc/33/82/25/331338225.db2.gz WSSQJZXKDGQFRH-CQSZACIVSA-N 0 3 295.810 3.516 20 30 CHEDHN CCN(CC#Cc1ccc(OC(F)(F)F)cc1)CC1CC1 ZINC000464591405 331363533 /nfs/dbraw/zinc/36/35/33/331363533.db2.gz XOBOPIDJNLRZIR-UHFFFAOYSA-N 0 3 297.320 3.669 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1C[C@@](C)(OC)C1(C)C ZINC000465014218 331375880 /nfs/dbraw/zinc/37/58/80/331375880.db2.gz KNHDXXJQPNVLEF-FUHWJXTLSA-N 0 3 289.419 3.545 20 30 CHEDHN CCc1ccc([C@@H](C)NCCc2cccc(C#N)c2)o1 ZINC000467437663 331419290 /nfs/dbraw/zinc/41/92/90/331419290.db2.gz WAEKCERXYBSWQQ-CYBMUJFWSA-N 0 3 268.360 3.607 20 30 CHEDHN C=C1CCN(C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000469920443 331464891 /nfs/dbraw/zinc/46/48/91/331464891.db2.gz STBZHUAUWGRGFL-CQSZACIVSA-N 0 3 277.383 3.665 20 30 CHEDHN C=CCCCCNCc1nc2ccc(Cl)cc2n1C ZINC000472043872 331526980 /nfs/dbraw/zinc/52/69/80/331526980.db2.gz RNYVAAYUIQEEJT-UHFFFAOYSA-N 0 3 277.799 3.673 20 30 CHEDHN CC#CCN1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511089092 332926619 /nfs/dbraw/zinc/92/66/19/332926619.db2.gz JLBISLHZBWAUBE-UHFFFAOYSA-N 0 3 284.428 3.673 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1nc2cccc(Cl)c2n1C ZINC000480672076 331783331 /nfs/dbraw/zinc/78/33/31/331783331.db2.gz NZNRTKCAXFXPRJ-NWDGAFQWSA-N 0 3 291.826 3.917 20 30 CHEDHN CC[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N ZINC000481182387 331800266 /nfs/dbraw/zinc/80/02/66/331800266.db2.gz BKQAUFMTKCLSBJ-MLGOLLRUSA-N 0 3 260.356 3.756 20 30 CHEDHN N#CC1(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000481204776 331800965 /nfs/dbraw/zinc/80/09/65/331800965.db2.gz UVPYZBWLCHVSKP-IAGOWNOFSA-N 0 3 268.404 3.681 20 30 CHEDHN C=C(C)CN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481376598 331805760 /nfs/dbraw/zinc/80/57/60/331805760.db2.gz JRWOADGNMZZNDY-RISCZKNCSA-N 0 3 253.773 3.582 20 30 CHEDHN CC#CCN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481728106 331813920 /nfs/dbraw/zinc/81/39/20/331813920.db2.gz KBXJSVOAVSGVOG-AWEZNQCLSA-N 0 3 296.183 3.652 20 30 CHEDHN N#CCC[C@@H](NC/C=C\c1ccncc1)c1ccccc1 ZINC000487576209 331975768 /nfs/dbraw/zinc/97/57/68/331975768.db2.gz SVVUQXCOQNZDKG-OOFWQKGWSA-N 0 3 277.371 3.729 20 30 CHEDHN Cc1cc(CN2CCC(OC(C)(C)C)CC2)ccc1C#N ZINC000488228825 331994855 /nfs/dbraw/zinc/99/48/55/331994855.db2.gz IPWZJCHLNACHRU-UHFFFAOYSA-N 0 3 286.419 3.646 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1cc(Br)cs1 ZINC000226397149 333259746 /nfs/dbraw/zinc/25/97/46/333259746.db2.gz NVZAZFLRHVQOGA-SFYZADRCSA-N 0 3 260.200 3.736 20 30 CHEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccccc1Cl ZINC000489448028 332052990 /nfs/dbraw/zinc/05/29/90/332052990.db2.gz LLUHPAXMGFNMFU-ZDUSSCGKSA-N 0 3 292.810 3.709 20 30 CHEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C1(C)CCCC1 ZINC000490106528 332081279 /nfs/dbraw/zinc/08/12/79/332081279.db2.gz UBQUTFJHIKSNND-UHFFFAOYSA-N 0 3 294.345 3.924 20 30 CHEDHN C[C@@H](N[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1F ZINC000512648854 332977943 /nfs/dbraw/zinc/97/79/43/332977943.db2.gz PFPAYXQGBHMWOH-IAQYHMDHSA-N 0 3 260.356 3.927 20 30 CHEDHN C=CCCCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000175553978 333026690 /nfs/dbraw/zinc/02/66/90/333026690.db2.gz KPJJBWPOVNKBTD-OAHLLOKOSA-N 0 3 288.435 3.588 20 30 CHEDHN N#Cc1ccc(CNC2CC(c3ccccc3F)C2)cc1F ZINC000404815784 333027258 /nfs/dbraw/zinc/02/72/58/333027258.db2.gz BEAACKLTBOKFND-UHFFFAOYSA-N 0 3 298.336 3.872 20 30 CHEDHN CC[C@H](C)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177276559 333056594 /nfs/dbraw/zinc/05/65/94/333056594.db2.gz XFANCXGETYSLII-LBPRGKRZSA-N 0 3 269.310 3.787 20 30 CHEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000311968119 333075266 /nfs/dbraw/zinc/07/52/66/333075266.db2.gz AOAMDDLSTSLKEI-OKILXGFUSA-N 0 3 274.795 3.834 20 30 CHEDHN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cn1 ZINC000516903584 333086009 /nfs/dbraw/zinc/08/60/09/333086009.db2.gz JIZOTAOQICYAFU-CYBMUJFWSA-N 0 3 299.805 3.670 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCCOc2cccc3ccccc32)C1 ZINC000185787598 333148714 /nfs/dbraw/zinc/14/87/14/333148714.db2.gz XEIMBRQHFVQUKV-WBVHZDCISA-N 0 3 294.398 3.891 20 30 CHEDHN CC1CCC(N(C)Cc2cccc(C#N)c2F)CC1 ZINC000219509857 333151409 /nfs/dbraw/zinc/15/14/09/333151409.db2.gz OGDJLWGDQOBPJK-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOc1ccccc1F ZINC000186482993 333161908 /nfs/dbraw/zinc/16/19/08/333161908.db2.gz QFZCCGWQDZVQHH-AWEZNQCLSA-N 0 3 298.361 3.769 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(OC3CCCCC3)c2)C1 ZINC000521531463 333177087 /nfs/dbraw/zinc/17/70/87/333177087.db2.gz KAWVYBLUADGSHL-GOEBONIOSA-N 0 3 299.418 3.575 20 30 CHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2ccccc2c1 ZINC000190677143 333209405 /nfs/dbraw/zinc/20/94/05/333209405.db2.gz HOKAFJNTBOMBTP-CQSZACIVSA-N 0 3 289.382 3.901 20 30 CHEDHN Cn1cc(CN[C@H](c2ccc(Cl)cc2)C2CC2)cc1C#N ZINC000190690920 333209853 /nfs/dbraw/zinc/20/98/53/333209853.db2.gz HWLXWAKBACCMFF-KRWDZBQOSA-N 0 3 299.805 3.791 20 30 CHEDHN C=CCCCCCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000193356821 333248723 /nfs/dbraw/zinc/24/87/23/333248723.db2.gz YUKGYGNWYWJIIO-QGZVFWFLSA-N 0 3 287.451 3.507 20 30 CHEDHN C=CC[C@H](C)N[C@H](COC)c1ccc(Cl)cc1 ZINC000194102476 333265477 /nfs/dbraw/zinc/26/54/77/333265477.db2.gz MELCFFJZRXCMDE-SMDDNHRTSA-N 0 3 253.773 3.582 20 30 CHEDHN C=C[C@@H](C)NCc1cc(Br)c(Cl)s1 ZINC000227853204 333289379 /nfs/dbraw/zinc/28/93/79/333289379.db2.gz KKQVTGIMCXTFQC-ZCFIWIBFSA-N 0 3 280.618 3.828 20 30 CHEDHN C=CCCCCCN(C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000523565051 333333104 /nfs/dbraw/zinc/33/31/04/333333104.db2.gz JDWQFIJIFUMLPF-INIZCTEOSA-N 0 3 288.435 3.542 20 30 CHEDHN C=CC[C@H](CC)NCc1cc(OC)ccc1Br ZINC000393801791 333388377 /nfs/dbraw/zinc/38/83/77/333388377.db2.gz MIEPOUKIFPUVKO-LBPRGKRZSA-N 0 3 298.224 3.902 20 30 CHEDHN N#Cc1cccc(N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000237849528 333381880 /nfs/dbraw/zinc/38/18/80/333381880.db2.gz XWJQDPBIHQQTFX-IBGZPJMESA-N 0 3 291.398 3.635 20 30 CHEDHN CC(C)(C)[C@@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000524757386 333387122 /nfs/dbraw/zinc/38/71/22/333387122.db2.gz ZIOPMEWAIOFYNE-KRWDZBQOSA-N 0 3 281.403 3.821 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000575985170 335138130 /nfs/dbraw/zinc/13/81/30/335138130.db2.gz RVETZGIEBNKSOB-XPKDYRNWSA-N 0 3 276.811 3.800 20 30 CHEDHN C[C@@H](NC[C@H](C)Oc1ccccc1)c1ccc(C#N)cc1 ZINC000174093910 335148039 /nfs/dbraw/zinc/14/80/39/335148039.db2.gz YLATWJLYFULULT-LSDHHAIUSA-N 0 3 280.371 3.676 20 30 CHEDHN C=C(C)COCCNCc1csc2ccccc12 ZINC000125808350 333574160 /nfs/dbraw/zinc/57/41/60/333574160.db2.gz GPFGLQDPBFJCQE-UHFFFAOYSA-N 0 3 261.390 3.584 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000128477311 333676372 /nfs/dbraw/zinc/67/63/72/333676372.db2.gz LVJZKJMJOKCBFQ-JTQLQIEISA-N 0 3 259.271 3.812 20 30 CHEDHN Cc1ccc(C)c([C@H]2CCCN2CC2(C#N)CC2)c1 ZINC000347485196 533713554 /nfs/dbraw/zinc/71/35/54/533713554.db2.gz RLGHRLMTDCRSGS-MRXNPFEDSA-N 0 3 254.377 3.744 20 30 CHEDHN CS[C@H](CNCc1ccc(C#N)cc1F)C(C)(C)C ZINC000543237054 333865623 /nfs/dbraw/zinc/86/56/23/333865623.db2.gz NQBSFFCCBRBOOF-CQSZACIVSA-N 0 3 280.412 3.565 20 30 CHEDHN C=C[C@@H](C)N[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133257921 334031020 /nfs/dbraw/zinc/03/10/20/334031020.db2.gz GKIIRPFXSWDICI-NOZJJQNGSA-N 0 3 270.298 3.642 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000546654544 334043703 /nfs/dbraw/zinc/04/37/03/334043703.db2.gz GRRASASCBPIFMB-KCPJHIHWSA-N 0 3 262.784 3.725 20 30 CHEDHN C[C@@H]([C@H](C)NCc1ccc(C#N)o1)C1CCCCC1 ZINC000237587677 334091906 /nfs/dbraw/zinc/09/19/06/334091906.db2.gz IFXGBLQXXRKPQU-STQMWFEESA-N 0 3 260.381 3.846 20 30 CHEDHN C=C(C)COCCNCc1cnc(-c2ccsc2)s1 ZINC000134507718 334092615 /nfs/dbraw/zinc/09/26/15/334092615.db2.gz YCHZMOBWXXHEHO-UHFFFAOYSA-N 0 3 294.445 3.554 20 30 CHEDHN C=CCC[C@@H](C)N[C@@H](C)c1cc(F)ccc1OC ZINC000135720522 334137112 /nfs/dbraw/zinc/13/71/12/334137112.db2.gz FQRMXFSWNVZBKG-NEPJUHHUSA-N 0 3 251.345 3.840 20 30 CHEDHN CCCc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000548176437 334145105 /nfs/dbraw/zinc/14/51/05/334145105.db2.gz LCKQNWACWJTLAV-UHFFFAOYSA-N 0 3 256.393 3.765 20 30 CHEDHN CC1CCC(CN2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000548791767 334174206 /nfs/dbraw/zinc/17/42/06/334174206.db2.gz LTGBNDGXNLPAGR-UHFFFAOYSA-N 0 3 297.446 3.765 20 30 CHEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc(C(C)(C)C)cc1 ZINC000549140383 334186288 /nfs/dbraw/zinc/18/62/88/334186288.db2.gz HOCHVUVEZCAJBH-CZUORRHYSA-N 0 3 286.419 3.957 20 30 CHEDHN C=CCOCCN(C)C1c2ccccc2-c2ccccc21 ZINC000549527904 334196363 /nfs/dbraw/zinc/19/63/63/334196363.db2.gz XWQMHNXPMDPVOY-UHFFFAOYSA-N 0 3 279.383 3.891 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(CC)cn1 ZINC000549770685 334204616 /nfs/dbraw/zinc/20/46/16/334204616.db2.gz YACATDJEUQCWNV-UHFFFAOYSA-N 0 3 293.414 3.928 20 30 CHEDHN C=CCCC[C@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000550932357 334234026 /nfs/dbraw/zinc/23/40/26/334234026.db2.gz VUCVRZLQXKGTRI-UONOGXRCSA-N 0 3 257.381 3.730 20 30 CHEDHN CCN(CCOC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000552033792 334279140 /nfs/dbraw/zinc/27/91/40/334279140.db2.gz SLPIZOWMMSAPOQ-UHFFFAOYSA-N 0 3 294.398 3.694 20 30 CHEDHN C=CCC[C@@H](NCC1(O)CCCCCC1)c1ccco1 ZINC000552046332 334281138 /nfs/dbraw/zinc/28/11/38/334281138.db2.gz FBVHDLKSTLGGPG-OAHLLOKOSA-N 0 3 277.408 3.962 20 30 CHEDHN Cc1cc(CN(C)CCOc2ccccc2C#N)ccc1F ZINC000552051108 334281749 /nfs/dbraw/zinc/28/17/49/334281749.db2.gz HWSIKYAPGXYCJL-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN C=CCCCN(C)Cc1cc(C)ccc1OC(F)F ZINC000552286750 334313391 /nfs/dbraw/zinc/31/33/91/334313391.db2.gz YRKLKROSAARDEG-UHFFFAOYSA-N 0 3 269.335 3.994 20 30 CHEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000248755269 334316097 /nfs/dbraw/zinc/31/60/97/334316097.db2.gz GDCCPFGAONQANF-LOWVWBTDSA-N 0 3 264.319 3.698 20 30 CHEDHN CCOC[C@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412052 334378105 /nfs/dbraw/zinc/37/81/05/334378105.db2.gz XIKIADHZXYXOMN-HNNXBMFYSA-N 0 3 294.398 3.740 20 30 CHEDHN N#CCC[C@@H](C#N)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000554432801 334430165 /nfs/dbraw/zinc/43/01/65/334430165.db2.gz IHGDDLYKMLSBNZ-KBXCAEBGSA-N 0 3 297.377 3.795 20 30 CHEDHN N#CCCCNCc1ccc(OCc2ccccc2)cc1 ZINC000273002675 334759538 /nfs/dbraw/zinc/75/95/38/334759538.db2.gz ALHOMBKVDUIZGL-UHFFFAOYSA-N 0 3 280.371 3.659 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000568149707 334796701 /nfs/dbraw/zinc/79/67/01/334796701.db2.gz XKUZFTFYYYEATR-WMLDXEAASA-N 0 3 288.435 3.528 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000576894265 335261536 /nfs/dbraw/zinc/26/15/36/335261536.db2.gz NEEGOBXTWXVCBR-UKRRQHHQSA-N 0 3 274.795 3.869 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000192769967 335302036 /nfs/dbraw/zinc/30/20/36/335302036.db2.gz GPTYOYFWBAMYGC-SGIREYDYSA-N 0 3 274.795 3.999 20 30 CHEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCCC1 ZINC000577181077 335318029 /nfs/dbraw/zinc/31/80/29/335318029.db2.gz LJEYVQDUNBOAOK-UHFFFAOYSA-N 0 3 287.363 3.621 20 30 CHEDHN Cc1ccnc([C@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000577409184 335349666 /nfs/dbraw/zinc/34/96/66/335349666.db2.gz RTBGOOMYSCUNHR-QAPCUYQASA-N 0 3 291.398 3.812 20 30 CHEDHN CC(C)[C@H](CNCc1cc(C#N)cs1)Nc1ccccc1 ZINC000177697934 335379659 /nfs/dbraw/zinc/37/96/59/335379659.db2.gz XMPYSCJCBKQEKV-KRWDZBQOSA-N 0 3 299.443 3.846 20 30 CHEDHN C=CCCCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000577648939 335385916 /nfs/dbraw/zinc/38/59/16/335385916.db2.gz OILAWVGEBKQMDF-QGZVFWFLSA-N 0 3 284.403 3.622 20 30 CHEDHN C=CCN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180091416 335549382 /nfs/dbraw/zinc/54/93/82/335549382.db2.gz DDJMHGQTEYZAIM-ZDUSSCGKSA-N 0 3 263.381 3.567 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180178964 335557562 /nfs/dbraw/zinc/55/75/62/335557562.db2.gz VWJMDKXBRSPVEL-QWRGUYRKSA-N 0 3 277.799 3.842 20 30 CHEDHN N#Cc1csc(CNC2CCC(c3ccccc3)CC2)n1 ZINC000352837085 335746628 /nfs/dbraw/zinc/74/66/28/335746628.db2.gz YQFIEOUQPLXIPH-UHFFFAOYSA-N 0 3 297.427 3.831 20 30 CHEDHN C=CCCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000381131774 336051438 /nfs/dbraw/zinc/05/14/38/336051438.db2.gz KXDVCYYSRINIOU-UHFFFAOYSA-N 0 3 268.744 3.694 20 30 CHEDHN C=C(CN[C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000383487914 336109869 /nfs/dbraw/zinc/10/98/69/336109869.db2.gz RJMXVXRJZFYIGN-AWEZNQCLSA-N 0 3 253.345 3.756 20 30 CHEDHN C=CC(C)(C)CN[C@H](C)c1ccc(OC)cc1F ZINC000385154642 336141104 /nfs/dbraw/zinc/14/11/04/336141104.db2.gz KROKJSKDXHDPHJ-LLVKDONJSA-N 0 3 251.345 3.697 20 30 CHEDHN COc1ccc(CN(Cc2ccc(C#N)o2)C(C)(C)C)cc1 ZINC000581911921 336164667 /nfs/dbraw/zinc/16/46/67/336164667.db2.gz PEQLCQVZIKHBBK-UHFFFAOYSA-N 0 3 298.386 3.961 20 30 CHEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1 ZINC000335953482 534001541 /nfs/dbraw/zinc/00/15/41/534001541.db2.gz SEWJUUZMJGBBCQ-DJJJIMSYSA-N 0 3 292.382 3.992 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000336540206 534082448 /nfs/dbraw/zinc/08/24/48/534082448.db2.gz IYESFXJMBLICCI-MAUKXSAKSA-N 0 3 284.403 3.512 20 30 CHEDHN CC(C)[C@@H](NCC1(CC#N)CC1)c1cc(F)ccc1F ZINC000430745775 517462091 /nfs/dbraw/zinc/46/20/91/517462091.db2.gz ZWUKKQWGWSTIRC-OAHLLOKOSA-N 0 3 278.346 3.945 20 30 CHEDHN Cc1ccc2cc(CN3CCC(CC#N)CC3)ccc2n1 ZINC000336524905 534467087 /nfs/dbraw/zinc/46/70/87/534467087.db2.gz HIWXUZKECBJKML-UHFFFAOYSA-N 0 3 279.387 3.669 20 30 CHEDHN CCO[C@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000278500394 520521472 /nfs/dbraw/zinc/52/14/72/520521472.db2.gz NPSYUMSJIFJUDU-GOSISDBHSA-N 0 3 298.361 3.565 20 30 CHEDHN CCN(CC)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000073870154 520907479 /nfs/dbraw/zinc/90/74/79/520907479.db2.gz AKOJEBAXAAVBEY-UHFFFAOYSA-N 0 3 293.414 3.694 20 30 CHEDHN CC[C@H](N[C@H](CCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000278771123 522745071 /nfs/dbraw/zinc/74/50/71/522745071.db2.gz PFMFVPCUXCOUIH-RBUKOAKNSA-N 0 3 294.398 3.723 20 30 CHEDHN CC[C@@H](NCc1ccc([C@@H](C)O)cc1)c1ccc(C#N)cc1 ZINC000278259859 522877658 /nfs/dbraw/zinc/87/76/58/522877658.db2.gz NMRJRFIKKUXQSG-AUUYWEPGSA-N 0 3 294.398 3.852 20 30 CHEDHN COCc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000088567399 522991182 /nfs/dbraw/zinc/99/11/82/522991182.db2.gz GVMFHVARFPCCGU-AWEZNQCLSA-N 0 3 280.371 3.555 20 30 CHEDHN COc1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000299392827 524010125 /nfs/dbraw/zinc/01/01/25/524010125.db2.gz RWAVJTAJEMWKIM-AWEZNQCLSA-N 0 3 280.371 3.760 20 30 CHEDHN CCc1ccc([C@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000276591977 524052112 /nfs/dbraw/zinc/05/21/12/524052112.db2.gz JTQZRCVOZAOSBW-AUUYWEPGSA-N 0 3 294.398 3.505 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1cc(C#N)ccc1F ZINC000055386708 524132379 /nfs/dbraw/zinc/13/23/79/524132379.db2.gz SDZLAQDAAGDSGS-WBMJQRKESA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@H](C)C1 ZINC000340924315 524293948 /nfs/dbraw/zinc/29/39/48/524293948.db2.gz WTFKMXSZWLODAE-QWHCGFSZSA-N 0 3 260.356 3.565 20 30 CHEDHN Cc1ccccc1C(C)(C)NCc1ccc(C#N)s1 ZINC000292935152 525071611 /nfs/dbraw/zinc/07/16/11/525071611.db2.gz HJUVKTHHMMLYKF-UHFFFAOYSA-N 0 3 270.401 3.953 20 30 CHEDHN Cc1ccccc1C(C)(C)NCc1cccc(C#N)c1 ZINC000293076068 525071901 /nfs/dbraw/zinc/07/19/01/525071901.db2.gz VWXCYUBLMKPJRL-UHFFFAOYSA-N 0 3 264.372 3.892 20 30 CHEDHN C[C@@H](NC[C@@H](c1cccs1)N(C)C)c1cccc(C#N)c1 ZINC000037234633 525478674 /nfs/dbraw/zinc/47/86/74/525478674.db2.gz NIEKJWUCMVKVHT-CJNGLKHVSA-N 0 3 299.443 3.573 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289689828 526042302 /nfs/dbraw/zinc/04/23/02/526042302.db2.gz ICHOQUDSSIVFSB-XOKHGSTOSA-N 0 3 284.403 3.509 20 30 CHEDHN Cc1cncc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000274676539 526216734 /nfs/dbraw/zinc/21/67/34/526216734.db2.gz ZDFFQNGALMTWOA-KBPBESRZSA-N 0 3 265.360 3.674 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000279760522 526624671 /nfs/dbraw/zinc/62/46/71/526624671.db2.gz ZSBDQOZTHXBXFJ-UKRRQHHQSA-N 0 3 284.334 3.716 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCCc3sccc32)c1 ZINC000061328213 526709240 /nfs/dbraw/zinc/70/92/40/526709240.db2.gz CTWRWUMPRCIYBP-HNNXBMFYSA-N 0 3 268.385 3.787 20 30 CHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccccc2)cc1 ZINC000113312733 526745480 /nfs/dbraw/zinc/74/54/80/526745480.db2.gz SGDNPOMDRFSPSR-INIZCTEOSA-N 0 3 279.383 3.940 20 30 CHEDHN C=CCCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000344399325 527196644 /nfs/dbraw/zinc/19/66/44/527196644.db2.gz JLNVKPSOGFKMGS-CYBMUJFWSA-N 0 3 263.406 3.752 20 30 CHEDHN C=CCC[C@@H](NCCNc1cccc(C)n1)c1ccco1 ZINC000353615986 527446880 /nfs/dbraw/zinc/44/68/80/527446880.db2.gz XTPWEXWPRMEJIL-OAHLLOKOSA-N 0 3 285.391 3.692 20 30 CHEDHN C=C[C@H](C)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000352755675 527569517 /nfs/dbraw/zinc/56/95/17/527569517.db2.gz NEQAOPKJTNSXDE-NSHDSACASA-N 0 3 295.308 3.555 20 30 CHEDHN C=CCN(CC=C)CC[C@H](C)OCc1ccccc1 ZINC000354889467 527642335 /nfs/dbraw/zinc/64/23/35/527642335.db2.gz IVVDZIXOSVQXHW-INIZCTEOSA-N 0 3 259.393 3.656 20 30 CHEDHN CC(C)CN(Cc1cccn1C)Cc1ccc(C#N)cc1 ZINC000350654869 527949444 /nfs/dbraw/zinc/94/94/44/527949444.db2.gz IEGNHEHETXRXSR-UHFFFAOYSA-N 0 3 281.403 3.555 20 30 CHEDHN CCC[C@H](NCC1(CC#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000430745222 528217720 /nfs/dbraw/zinc/21/77/20/528217720.db2.gz WIOCHGOCHVYWJC-HNNXBMFYSA-N 0 3 287.363 3.719 20 30 CHEDHN CC(C)C[C@@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000354679518 528381436 /nfs/dbraw/zinc/38/14/36/528381436.db2.gz VYYBLLAXAQMDOD-INIZCTEOSA-N 0 3 281.403 3.821 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC000334727643 528841126 /nfs/dbraw/zinc/84/11/26/528841126.db2.gz ZADGXFCCLGAEAH-UHFFFAOYSA-N 0 3 254.377 3.690 20 30 CHEDHN C=CCc1cc(C[N@@H+](C)C[C@@H](C)CC)c([O-])c(OC)c1 ZINC000754726583 1118646262 /nfs/dbraw/zinc/64/62/62/1118646262.db2.gz SRBGGAWWNCFKEY-ZDUSSCGKSA-N 0 3 277.408 3.607 20 30 CHEDHN C=CCc1cc(C[N@H+](C)C[C@@H](C)CC)c([O-])c(OC)c1 ZINC000754726583 1118646266 /nfs/dbraw/zinc/64/62/66/1118646266.db2.gz SRBGGAWWNCFKEY-ZDUSSCGKSA-N 0 3 277.408 3.607 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@@H](OC)C1CCC1 ZINC000659815355 1120115687 /nfs/dbraw/zinc/11/56/87/1120115687.db2.gz DLDRHZUJPJRCPQ-OAHLLOKOSA-N 0 3 265.422 3.551 20 30 CHEDHN N#CCC1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000543184353 1120456284 /nfs/dbraw/zinc/45/62/84/1120456284.db2.gz MOWSHNYCIIWKJK-INIZCTEOSA-N 0 3 274.795 3.953 20 30 CHEDHN C=CCN(Cc1ccc(C(F)F)cc1)[C@H](C)COC ZINC000661240092 1120742267 /nfs/dbraw/zinc/74/22/67/1120742267.db2.gz LHOJQGIGNYFVCW-GFCCVEGCSA-N 0 3 269.335 3.647 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000843423262 1121478612 /nfs/dbraw/zinc/47/86/12/1121478612.db2.gz BJMZZWJQXJWXGP-ZDUSSCGKSA-N 0 3 274.433 3.646 20 30 CHEDHN C[C@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439431526 1122779296 /nfs/dbraw/zinc/77/92/96/1122779296.db2.gz NIRZPWSMQQHWOX-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CC[C@H]1CCN1CCCc1c(F)cccc1F ZINC001198491166 1122993959 /nfs/dbraw/zinc/99/39/59/1122993959.db2.gz OPTANBBAYYWRKU-LBPRGKRZSA-N 0 3 251.320 3.548 20 30 CHEDHN CS[C@@H]1CCCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000441126812 1123060757 /nfs/dbraw/zinc/06/07/57/1123060757.db2.gz PMUUKHZQLCLHQZ-MRXNPFEDSA-N 0 3 293.863 3.909 20 30 CHEDHN CCCCCCCN1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001201761342 1123147840 /nfs/dbraw/zinc/14/78/40/1123147840.db2.gz ATCYSTMQKLWDHY-AWEZNQCLSA-N 0 3 285.428 3.983 20 30 CHEDHN CCCCCCCCCCN1CC2(C1)CCN(C(C)=O)C2 ZINC001201875418 1123156673 /nfs/dbraw/zinc/15/66/73/1123156673.db2.gz ZIMLJEDYZCQEKR-UHFFFAOYSA-N 0 3 294.483 3.681 20 30 CHEDHN CC(C)[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000444772189 1124063340 /nfs/dbraw/zinc/06/33/40/1124063340.db2.gz MLJRZXNNRBMNGP-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN CC(C)CC[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000876886861 1124986286 /nfs/dbraw/zinc/98/62/86/1124986286.db2.gz BWRABTKLPDWMNG-NSHDSACASA-N 0 3 265.788 3.521 20 30 CHEDHN CC(C)=CCC[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877562540 1125047107 /nfs/dbraw/zinc/04/71/07/1125047107.db2.gz WDROWFFIQJCBLR-GFCCVEGCSA-N 0 3 277.799 3.831 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC001138630503 1131529888 /nfs/dbraw/zinc/52/98/88/1131529888.db2.gz XYTBKQAOVMIDSF-MRXNPFEDSA-N 0 3 259.393 3.741 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC001138630503 1131529891 /nfs/dbraw/zinc/52/98/91/1131529891.db2.gz XYTBKQAOVMIDSF-MRXNPFEDSA-N 0 3 259.393 3.741 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c1[O-] ZINC001138628676 1131529124 /nfs/dbraw/zinc/52/91/24/1131529124.db2.gz ZLPALQUIWWOXMB-KGLIPLIRSA-N 0 3 259.393 3.741 20 30 CHEDHN N#Cc1cnc(CNC2CCC3(CCCC3)CC2)s1 ZINC001172726872 1132302303 /nfs/dbraw/zinc/30/23/03/1132302303.db2.gz FRXTZVLKYHKQTG-UHFFFAOYSA-N 0 3 275.421 3.607 20 30 CHEDHN C[C@@H](NCc1cccc2cc[nH]c21)c1cccc(C#N)c1 ZINC000237341315 1125518133 /nfs/dbraw/zinc/51/81/33/1125518133.db2.gz UOZZUSGDHVRWRD-CYBMUJFWSA-N 0 3 275.355 3.890 20 30 CHEDHN Cc1ccc2nc(CN3CCC(CC#N)CC3)ccc2c1 ZINC001137215846 1125595708 /nfs/dbraw/zinc/59/57/08/1125595708.db2.gz NXJQJVAPHCCXID-UHFFFAOYSA-N 0 3 279.387 3.669 20 30 CHEDHN Cc1ccc2nc(CN3CCC[C@@H](C#N)CC3)ccc2c1 ZINC001137215623 1125595867 /nfs/dbraw/zinc/59/58/67/1125595867.db2.gz DYRDCBDNHBSQQS-OAHLLOKOSA-N 0 3 279.387 3.669 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000533437360 1125607854 /nfs/dbraw/zinc/60/78/54/1125607854.db2.gz IZYLKNPCOPETHM-GFCCVEGCSA-N 0 3 280.799 3.565 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000248884370 1125675958 /nfs/dbraw/zinc/67/59/58/1125675958.db2.gz LPPVFFRTRUXSAG-LZQZEXGQSA-N 0 3 291.398 3.843 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000076734568 1125684502 /nfs/dbraw/zinc/68/45/02/1125684502.db2.gz MDGSAQXWHJQYEA-CYBMUJFWSA-N 0 3 292.448 3.634 20 30 CHEDHN C=CCCCCCN(C)C[C@H](O)c1c(F)cccc1F ZINC000739932205 1129409968 /nfs/dbraw/zinc/40/99/68/1129409968.db2.gz YMRLTHLUJQUILZ-HNNXBMFYSA-N 0 3 283.362 3.676 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@@H](O)CCC(C)C ZINC000481724897 1126709007 /nfs/dbraw/zinc/70/90/07/1126709007.db2.gz JESTWYYIGYJHDZ-AWEZNQCLSA-N 0 3 267.438 3.533 20 30 CHEDHN CC#CCN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481728113 1126710009 /nfs/dbraw/zinc/71/00/09/1126710009.db2.gz KBXJSVOAVSGVOG-CQSZACIVSA-N 0 3 296.183 3.652 20 30 CHEDHN CC(C)SCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000338236885 1126726591 /nfs/dbraw/zinc/72/65/91/1126726591.db2.gz ZJPOUVYLUAYWTK-UHFFFAOYSA-N 0 3 274.433 3.664 20 30 CHEDHN CC(C)(C#N)CCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000174832901 1126773387 /nfs/dbraw/zinc/77/33/87/1126773387.db2.gz LGKUSDYCNZXGTH-INIZCTEOSA-N 0 3 290.407 3.591 20 30 CHEDHN CC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128801478 1126773765 /nfs/dbraw/zinc/77/37/65/1126773765.db2.gz OUESDPYMUJJFEL-SWLSCSKDSA-N 0 3 294.354 3.533 20 30 CHEDHN Cc1ccc([C@H]2CCCCN2Cc2cc(C#N)n(C)c2)cc1 ZINC000483260254 1126776037 /nfs/dbraw/zinc/77/60/37/1126776037.db2.gz PAIWWGFTVSFSGQ-LJQANCHMSA-N 0 3 293.414 3.932 20 30 CHEDHN C[C@H]1CCN(CC#Cc2ccccc2)CC12CCC2 ZINC000484080202 1126809618 /nfs/dbraw/zinc/80/96/18/1126809618.db2.gz BRUHMDFKVNZMPX-INIZCTEOSA-N 0 3 253.389 3.550 20 30 CHEDHN CCOc1cccc2cc([C@@H](C)NCCCC#N)oc21 ZINC000180359082 1126842536 /nfs/dbraw/zinc/84/25/36/1126842536.db2.gz FQOMBVGLRHGNFK-GFCCVEGCSA-N 0 3 272.348 3.786 20 30 CHEDHN CCOc1cccc2cc([C@H](C)NCCCC#N)oc21 ZINC000180359097 1126842628 /nfs/dbraw/zinc/84/26/28/1126842628.db2.gz FQOMBVGLRHGNFK-LBPRGKRZSA-N 0 3 272.348 3.786 20 30 CHEDHN CCOCc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181476673 1126855417 /nfs/dbraw/zinc/85/54/17/1126855417.db2.gz NXOVASVXLKERTH-OAHLLOKOSA-N 0 3 294.398 3.946 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000181806672 1126861646 /nfs/dbraw/zinc/86/16/46/1126861646.db2.gz DYGWXVRIPWUGGN-SUMWQHHRSA-N 0 3 265.360 3.755 20 30 CHEDHN COc1ccc(O)c(CN[C@H](CCC#N)c2ccccc2)c1 ZINC000182655936 1126876115 /nfs/dbraw/zinc/87/61/15/1126876115.db2.gz CRUGYUQKDHNMDB-QGZVFWFLSA-N 0 3 296.370 3.535 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000185562708 1126900155 /nfs/dbraw/zinc/90/01/55/1126900155.db2.gz RBRKHCWNIQMBMY-AWEZNQCLSA-N 0 3 274.408 3.597 20 30 CHEDHN Cn1cc(CN[C@@H]2CCC(C)(C)c3ccccc32)cc1C#N ZINC000190958729 1126946327 /nfs/dbraw/zinc/94/63/27/1126946327.db2.gz LYEPULYAWRHYSB-GOSISDBHSA-N 0 3 293.414 3.799 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1ccc(C#N)cc1 ZINC000192353532 1126960816 /nfs/dbraw/zinc/96/08/16/1126960816.db2.gz ZMOXDZQIZLGDQQ-ACJLOTCBSA-N 0 3 292.382 3.992 20 30 CHEDHN CCN(Cc1cnccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000269566276 1127041516 /nfs/dbraw/zinc/04/15/16/1127041516.db2.gz KTIGYVREWSXQAM-HNNXBMFYSA-N 0 3 279.387 3.845 20 30 CHEDHN Cc1ccsc1CNC1(c2cccc(C#N)c2)CC1 ZINC000269601506 1127042342 /nfs/dbraw/zinc/04/23/42/1127042342.db2.gz IMUQJVRENHXAPX-UHFFFAOYSA-N 0 3 268.385 3.707 20 30 CHEDHN CC(C)(C)ON=Cc1ccc(N2CCCCC2)cc1 ZINC001320326013 1127051878 /nfs/dbraw/zinc/05/18/78/1127051878.db2.gz VJDQLPOSAOVBCQ-UHFFFAOYSA-N 0 3 260.381 3.826 20 30 CHEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000912345527 1127096780 /nfs/dbraw/zinc/09/67/80/1127096780.db2.gz WFWCPFLYOCPACR-IUODEOHRSA-N 0 3 294.826 3.543 20 30 CHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCSC1 ZINC000348866126 1127132718 /nfs/dbraw/zinc/13/27/18/1127132718.db2.gz FYRKVLNWJFHDEQ-HNNXBMFYSA-N 0 3 293.480 3.595 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000349338775 1127148333 /nfs/dbraw/zinc/14/83/33/1127148333.db2.gz ATIPUEOMVCDWMW-UXIGCNINSA-N 0 3 290.794 3.836 20 30 CHEDHN C[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237745706 1131138021 /nfs/dbraw/zinc/13/80/21/1131138021.db2.gz HYDZUZWCVBEXRA-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(C)c1O ZINC000589170004 1127213373 /nfs/dbraw/zinc/21/33/73/1127213373.db2.gz BGAXMPTWGIHPDU-AWEZNQCLSA-N 0 3 280.371 3.732 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@H]2c2ccccc2)CCCC1 ZINC000589166599 1127213957 /nfs/dbraw/zinc/21/39/57/1127213957.db2.gz GROVQARIILWQNJ-IRXDYDNUSA-N 0 3 268.404 3.996 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000285036874 1127215693 /nfs/dbraw/zinc/21/56/93/1127215693.db2.gz HXLXSPOBXUDKNE-VKJFTORMSA-N 0 3 289.419 3.641 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CC2(F)F)CC1 ZINC000593076475 1127226374 /nfs/dbraw/zinc/22/63/74/1127226374.db2.gz JNZBAYYOOMWWCP-LBPRGKRZSA-N 0 3 276.330 3.740 20 30 CHEDHN C=CCC[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccco1 ZINC000285889401 1127246323 /nfs/dbraw/zinc/24/63/23/1127246323.db2.gz ZXYSIWKXHFRQBZ-HUUCEWRRSA-N 0 3 288.391 3.772 20 30 CHEDHN C[C@@H](CN1CCC(CC#N)CC1)c1cc(F)cc(F)c1 ZINC000590648963 1127266300 /nfs/dbraw/zinc/26/63/00/1127266300.db2.gz KCMQYOKFYXNQTK-LBPRGKRZSA-N 0 3 278.346 3.694 20 30 CHEDHN CCCc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000590662662 1127267120 /nfs/dbraw/zinc/26/71/20/1127267120.db2.gz GMPQBONNDBXVKA-UHFFFAOYSA-N 0 3 282.362 3.940 20 30 CHEDHN Cc1ccc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353917938 1127278741 /nfs/dbraw/zinc/27/87/41/1127278741.db2.gz WDVQIQJQVPIWRZ-GOSISDBHSA-N 0 3 279.387 3.915 20 30 CHEDHN C#CCCN1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000760846462 1127310741 /nfs/dbraw/zinc/31/07/41/1127310741.db2.gz GYMNAXBRNOSEBI-FQEVSTJZSA-N 0 3 291.394 3.818 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1Cc1ccncc1C#N ZINC000592127255 1127337121 /nfs/dbraw/zinc/33/71/21/1127337121.db2.gz YKAIQWBFLBPDEN-ZRGWGRIASA-N 0 3 291.398 3.720 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000592391586 1127346939 /nfs/dbraw/zinc/34/69/39/1127346939.db2.gz CSEDUTDRVAJRBR-SFHVURJKSA-N 0 3 280.346 3.669 20 30 CHEDHN N#Cc1ccc(CN2CCCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000593034996 1127368140 /nfs/dbraw/zinc/36/81/40/1127368140.db2.gz NRXBHDIHBFKHOT-MRXNPFEDSA-N 0 3 299.374 3.621 20 30 CHEDHN C#CC[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000290181523 1127387568 /nfs/dbraw/zinc/38/75/68/1127387568.db2.gz VOBSWCCMWOTNKO-LJQANCHMSA-N 0 3 293.410 3.768 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@H](NCC2(C#N)CCCC2)CS1 ZINC000593655019 1127392953 /nfs/dbraw/zinc/39/29/53/1127392953.db2.gz VHVJJSNIJPOKLD-STQMWFEESA-N 0 3 266.454 3.580 20 30 CHEDHN C[C@@H](CCc1n[nH]c2ccccc21)NCC1(C#N)CCCC1 ZINC000593653130 1127392984 /nfs/dbraw/zinc/39/29/84/1127392984.db2.gz CQVMANKXKZWSKF-AWEZNQCLSA-N 0 3 296.418 3.558 20 30 CHEDHN N#C[C@H]1CC[C@H](NC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000593721633 1127395696 /nfs/dbraw/zinc/39/56/96/1127395696.db2.gz RQEDAACYMXGHJC-FZMZJTMJSA-N 0 3 294.320 3.976 20 30 CHEDHN CC[C@H](CC#N)NCCn1ccc2cc(Cl)ccc21 ZINC000594006648 1127407452 /nfs/dbraw/zinc/40/74/52/1127407452.db2.gz KAYDTMDARQHONK-CQSZACIVSA-N 0 3 275.783 3.577 20 30 CHEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000594518657 1127421169 /nfs/dbraw/zinc/42/11/69/1127421169.db2.gz IVOHXEDBIHYNHU-OAUYIBNBSA-N 0 3 290.382 3.696 20 30 CHEDHN CC(C)(NCc1cc(C#N)cs1)c1cccc(C#N)c1 ZINC000594970050 1127437356 /nfs/dbraw/zinc/43/73/56/1127437356.db2.gz SCEMAUDAVANHCF-UHFFFAOYSA-N 0 3 281.384 3.516 20 30 CHEDHN CC[C@@H](COCC1CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000595056850 1127446916 /nfs/dbraw/zinc/44/69/16/1127446916.db2.gz RKLJZFMSDOBQHY-WFASDCNBSA-N 0 3 290.382 3.553 20 30 CHEDHN C=CCCSCCN[C@H](CC)c1ccc(F)cn1 ZINC000595058276 1127447139 /nfs/dbraw/zinc/44/71/39/1127447139.db2.gz GEVNHLYVKPRVBN-CYBMUJFWSA-N 0 3 268.401 3.571 20 30 CHEDHN CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000595068925 1127448316 /nfs/dbraw/zinc/44/83/16/1127448316.db2.gz WCRYQCSKTBYWRH-XEZPLFJOSA-N 0 3 260.356 3.805 20 30 CHEDHN COc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000595106072 1127453190 /nfs/dbraw/zinc/45/31/90/1127453190.db2.gz REMWTDIDNIOBNN-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000595092347 1127454821 /nfs/dbraw/zinc/45/48/21/1127454821.db2.gz URMZVELNANHXHB-KPZWWZAWSA-N 0 3 278.355 3.602 20 30 CHEDHN CCCCCCC[C@@H](C)N[C@@H](C)c1nnc2n1CCC2 ZINC000059487396 1127456797 /nfs/dbraw/zinc/45/67/97/1127456797.db2.gz DUMSUHRZROQMER-KGLIPLIRSA-N 0 3 278.444 3.624 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000595620011 1127468493 /nfs/dbraw/zinc/46/84/93/1127468493.db2.gz JJWRKCYQWQUMOK-GFCCVEGCSA-N 0 3 264.319 3.750 20 30 CHEDHN C[C@H]1CC[C@]2(CCN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000359552283 1127467397 /nfs/dbraw/zinc/46/73/97/1127467397.db2.gz GAKFYKHYGAZWGG-GUYCJALGSA-N 0 3 272.367 3.709 20 30 CHEDHN N#CC[C@@H]1CCCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000595619493 1127468562 /nfs/dbraw/zinc/46/85/62/1127468562.db2.gz BZGCITHTBIXESM-SUMWQHHRSA-N 0 3 272.367 3.829 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000595620012 1127468331 /nfs/dbraw/zinc/46/83/31/1127468331.db2.gz JJWRKCYQWQUMOK-LBPRGKRZSA-N 0 3 264.319 3.750 20 30 CHEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595619450 1127468662 /nfs/dbraw/zinc/46/86/62/1127468662.db2.gz BGHHHJMHJXLUFM-HNNXBMFYSA-N 0 3 281.403 3.613 20 30 CHEDHN C[C@@H]1CC[C@]2(CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC000359566495 1127468668 /nfs/dbraw/zinc/46/86/68/1127468668.db2.gz VUGVEGVROMALRA-DYVFJYSZSA-N 0 3 272.367 3.709 20 30 CHEDHN N#CC[C@H]1CCCN(CCCc2ccccc2Cl)C1 ZINC000595621673 1127468813 /nfs/dbraw/zinc/46/88/13/1127468813.db2.gz XLYFPSFYWFYEOY-CQSZACIVSA-N 0 3 276.811 3.898 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000595602062 1127469336 /nfs/dbraw/zinc/46/93/36/1127469336.db2.gz GZYVKJAQOMBXQS-CJNGLKHVSA-N 0 3 299.374 3.691 20 30 CHEDHN C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595613429 1127470320 /nfs/dbraw/zinc/47/03/20/1127470320.db2.gz CQAMJACIQONTEP-STQMWFEESA-N 0 3 294.345 3.975 20 30 CHEDHN CC1(C)C[C@]1(NCc1ccc(C#N)cc1)c1ccccc1 ZINC000595911563 1127479501 /nfs/dbraw/zinc/47/95/01/1127479501.db2.gz YORXPSRWHOMKKT-IBGZPJMESA-N 0 3 276.383 3.973 20 30 CHEDHN Cc1cccc2c1ncc(C)c2N1CCC[C@@H](CC#N)C1 ZINC000596329147 1127492834 /nfs/dbraw/zinc/49/28/34/1127492834.db2.gz KLIAPUMHXUPLRV-HNNXBMFYSA-N 0 3 279.387 3.982 20 30 CHEDHN N#CC1(c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000596976070 1127522887 /nfs/dbraw/zinc/52/28/87/1127522887.db2.gz XHMOLAWAKAKRIA-UHFFFAOYSA-N 0 3 288.394 3.800 20 30 CHEDHN CC1(C)Cc2cc(CN3CCC[C@@H](CC#N)C3)ccc2O1 ZINC000597174451 1127531633 /nfs/dbraw/zinc/53/16/33/1127531633.db2.gz QVYGSVJHQFCSRW-AWEZNQCLSA-N 0 3 284.403 3.526 20 30 CHEDHN C[C@@H](CCCC(F)(F)F)NCc1cccc(F)c1C#N ZINC000602017081 1127558138 /nfs/dbraw/zinc/55/81/38/1127558138.db2.gz LYCORUPTQQTTGN-JTQLQIEISA-N 0 3 288.288 3.908 20 30 CHEDHN N#Cc1ccc(CNCc2ccc(-c3ccncc3)cc2)cc1 ZINC000361502189 1127568352 /nfs/dbraw/zinc/56/83/52/1127568352.db2.gz BKKQQKXJTFTNDE-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN CC[C@@H](C)N(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602430525 1127577900 /nfs/dbraw/zinc/57/79/00/1127577900.db2.gz AVRWVOCVSWMVBL-OAHLLOKOSA-N 0 3 279.387 3.754 20 30 CHEDHN N#CC1CCC(NCc2coc(-c3ccccc3)n2)CC1 ZINC000602546288 1127590608 /nfs/dbraw/zinc/59/06/08/1127590608.db2.gz JDUXHRWCMRPYGC-UHFFFAOYSA-N 0 3 281.359 3.514 20 30 CHEDHN C=CCCC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602579370 1127596378 /nfs/dbraw/zinc/59/63/78/1127596378.db2.gz AEWSXTYYSHNDRK-LLVKDONJSA-N 0 3 289.335 3.570 20 30 CHEDHN C[C@@H](CCC#N)CN(C)Cc1cc(Cl)ccc1F ZINC000602634143 1127601501 /nfs/dbraw/zinc/60/15/01/1127601501.db2.gz OUPVBSBSNGEHTK-NSHDSACASA-N 0 3 268.763 3.851 20 30 CHEDHN C[C@H]1CCCc2ccccc2[C@@H]1NCc1cccc(C#N)n1 ZINC000602619520 1127597559 /nfs/dbraw/zinc/59/75/59/1127597559.db2.gz WQFQACKXZYIKCL-IFXJQAMLSA-N 0 3 291.398 3.757 20 30 CHEDHN C[C@H](CCC#N)CN1CC(c2cccc(Cl)c2)C1 ZINC000602684466 1127606570 /nfs/dbraw/zinc/60/65/70/1127606570.db2.gz YPXBYHQRYWPEFC-GFCCVEGCSA-N 0 3 262.784 3.679 20 30 CHEDHN COc1ccc([C@@H](NC[C@@H](C)CCC#N)c2ccco2)cc1 ZINC000602686348 1127604057 /nfs/dbraw/zinc/60/40/57/1127604057.db2.gz PLTHPBXZANLIQV-KBXCAEBGSA-N 0 3 298.386 3.907 20 30 CHEDHN C[C@H](NCC1(C#N)CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000602693015 1127604977 /nfs/dbraw/zinc/60/49/77/1127604977.db2.gz AAYOQACJKCXRBP-RWMBFGLXSA-N 0 3 260.406 3.524 20 30 CHEDHN C[C@H](NCC1(C#N)CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000602699219 1127605410 /nfs/dbraw/zinc/60/54/10/1127605410.db2.gz KSUUDXTZZWYPCB-MELADBBJSA-N 0 3 274.433 3.914 20 30 CHEDHN Cc1cccc([C@@H](NCc2cccc(C#N)n2)C(C)C)c1 ZINC000602727544 1127609880 /nfs/dbraw/zinc/60/98/80/1127609880.db2.gz WEHQETMWNIBADN-SFHVURJKSA-N 0 3 279.387 3.749 20 30 CHEDHN N#CC1CCC(N[C@@H](CF)c2ccc(F)cc2)CC1 ZINC000602752593 1127612058 /nfs/dbraw/zinc/61/20/58/1127612058.db2.gz ZVZKXOOIELZJSW-KWCHVYNWSA-N 0 3 264.319 3.508 20 30 CHEDHN CN(CC1(CC#N)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000602838139 1127616249 /nfs/dbraw/zinc/61/62/49/1127616249.db2.gz RIXXJDZVDZWPLV-NEPJUHHUSA-N 0 3 274.330 3.733 20 30 CHEDHN C/C(=C/c1ccccc1)CN(C)CC1(CC#N)CC1 ZINC000602820367 1127616922 /nfs/dbraw/zinc/61/69/22/1127616922.db2.gz JZGUDAWYHPSESZ-QINSGFPZSA-N 0 3 254.377 3.716 20 30 CHEDHN CCOc1ccccc1[C@H](CC)NCC1(CC#N)CC1 ZINC000602803322 1127615217 /nfs/dbraw/zinc/61/52/17/1127615217.db2.gz VZCWONHOPCMAMF-HNNXBMFYSA-N 0 3 272.392 3.820 20 30 CHEDHN CC(C)[C@H](NCC1(CC#N)CC1)c1ccccc1F ZINC000602883201 1127620028 /nfs/dbraw/zinc/62/00/28/1127620028.db2.gz OSAVQFHKEPNQOB-HNNXBMFYSA-N 0 3 260.356 3.806 20 30 CHEDHN N#CCC1(CN2CCC3(C=Cc4ccccc4O3)CC2)CC1 ZINC000602904691 1127620677 /nfs/dbraw/zinc/62/06/77/1127620677.db2.gz KBSSOUFYVODUKS-UHFFFAOYSA-N 0 3 294.398 3.621 20 30 CHEDHN CCCc1ccc(CNCc2cccc(C#N)c2)s1 ZINC000598641347 1127629689 /nfs/dbraw/zinc/62/96/89/1127629689.db2.gz RYLDUUYINYEXKV-UHFFFAOYSA-N 0 3 270.401 3.862 20 30 CHEDHN N#CCCCOc1cccc(CN2CC(CC3CC3)C2)c1 ZINC000598678499 1127631153 /nfs/dbraw/zinc/63/11/53/1127631153.db2.gz QONMHLGPQXWXPP-UHFFFAOYSA-N 0 3 284.403 3.601 20 30 CHEDHN Cc1cccc(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000170673453 1127635289 /nfs/dbraw/zinc/63/52/89/1127635289.db2.gz GLKXYKDOCUWRTD-CQSZACIVSA-N 0 3 290.322 3.555 20 30 CHEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)[C@@H]1CCCCO1 ZINC000599043172 1127652336 /nfs/dbraw/zinc/65/23/36/1127652336.db2.gz VVEMKURTVSLYIM-UAGQMJEPSA-N 0 3 272.392 3.579 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000599059174 1127653822 /nfs/dbraw/zinc/65/38/22/1127653822.db2.gz OLNVCGWXNSTAJH-SNPRPXQTSA-N 0 3 290.357 3.836 20 30 CHEDHN Cc1ccc(CN2CCC(OCC(C)C)CC2)cc1C#N ZINC000599269529 1127666067 /nfs/dbraw/zinc/66/60/67/1127666067.db2.gz RFWBBYTYXDRLNG-UHFFFAOYSA-N 0 3 286.419 3.504 20 30 CHEDHN Cc1ccc(CNC(C)(C)c2cccs2)cc1C#N ZINC000599361840 1127669715 /nfs/dbraw/zinc/66/97/15/1127669715.db2.gz FGULEDBNZYADME-UHFFFAOYSA-N 0 3 270.401 3.953 20 30 CHEDHN CCc1cnccc1[C@@H](C)NCc1ccc(C)c(C#N)c1 ZINC000599362111 1127669975 /nfs/dbraw/zinc/66/99/75/1127669975.db2.gz MZSBOUCAQZAHPJ-CQSZACIVSA-N 0 3 279.387 3.675 20 30 CHEDHN C=C(C)CN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296426547 1127671311 /nfs/dbraw/zinc/67/13/11/1127671311.db2.gz VDRGMQOVFFKYEC-UHFFFAOYSA-N 0 3 290.354 3.917 20 30 CHEDHN Cc1cc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)ccc1C#N ZINC000599515832 1127676609 /nfs/dbraw/zinc/67/66/09/1127676609.db2.gz VLSJSWLGNFOWSW-CHWSQXEVSA-N 0 3 278.346 3.590 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@H](C)c1nnc2n1CCCCC2 ZINC000364450085 1127701184 /nfs/dbraw/zinc/70/11/84/1127701184.db2.gz TVOKOMWTPNNMNG-HUUCEWRRSA-N 0 3 290.455 3.790 20 30 CHEDHN C#CCOc1ccc(CNCc2ccc(SC)cc2)cc1 ZINC000172115634 1127747136 /nfs/dbraw/zinc/74/71/36/1127747136.db2.gz KEZKTFYPDGGJMK-UHFFFAOYSA-N 0 3 297.423 3.710 20 30 CHEDHN N#CCC1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000543808168 1127765430 /nfs/dbraw/zinc/76/54/30/1127765430.db2.gz ZGQDXECCQVBJIZ-INIZCTEOSA-N 0 3 274.795 3.953 20 30 CHEDHN COC(C)(C)CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000409446862 1127767944 /nfs/dbraw/zinc/76/79/44/1127767944.db2.gz RHCFJPWYQOWJST-DLBZAZTESA-N 0 3 286.419 3.573 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC1CCOCC1 ZINC000409447420 1127770536 /nfs/dbraw/zinc/77/05/36/1127770536.db2.gz QAHLZBTZKRNWED-RTBURBONSA-N 0 3 298.430 3.575 20 30 CHEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594033400 1127774130 /nfs/dbraw/zinc/77/41/30/1127774130.db2.gz OZQBDQCQSSWWTA-UHFFFAOYSA-N 0 3 292.382 3.736 20 30 CHEDHN C=CCCN(C)Cc1ccccc1OC(F)(F)F ZINC000606896250 1127779565 /nfs/dbraw/zinc/77/95/65/1127779565.db2.gz CHXROIWOMNJJQQ-UHFFFAOYSA-N 0 3 259.271 3.593 20 30 CHEDHN Cc1cc([C@@H]2CCCN2CCC2(C#N)CCCCC2)on1 ZINC000411169903 1127845209 /nfs/dbraw/zinc/84/52/09/1127845209.db2.gz FKFKMGYARYZYFX-HNNXBMFYSA-N 0 3 287.407 3.984 20 30 CHEDHN N#CC(C(=O)CCCC1CCCC1)c1ccccn1 ZINC000173951215 1127862060 /nfs/dbraw/zinc/86/20/60/1127862060.db2.gz MTUKLIRAZWMAIW-AWEZNQCLSA-N 0 3 256.349 3.618 20 30 CHEDHN Cc1ccsc1[C@H](CO)NCCC1(C#N)CCCCC1 ZINC000411575091 1127865548 /nfs/dbraw/zinc/86/55/48/1127865548.db2.gz VLDDGJQNHDNZRR-AWEZNQCLSA-N 0 3 292.448 3.544 20 30 CHEDHN CC1(C)CN(CCC2(C#N)CCCCC2)[C@H]1[C@H]1CCCO1 ZINC000411752935 1127872772 /nfs/dbraw/zinc/87/27/72/1127872772.db2.gz OSTQWQCSQMIYEA-CVEARBPZSA-N 0 3 290.451 3.740 20 30 CHEDHN CC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccncc1 ZINC000174436473 1127894627 /nfs/dbraw/zinc/89/46/27/1127894627.db2.gz SCDDSCXKIYHYPY-RDTXWAMCSA-N 0 3 295.386 3.613 20 30 CHEDHN CCCCOC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000442670784 1127906536 /nfs/dbraw/zinc/90/65/36/1127906536.db2.gz DYBMXSVEEYVWNY-OAHLLOKOSA-N 0 3 286.419 3.900 20 30 CHEDHN N#Cc1ccc(C2=CC[N@H+](Cc3ccccc3[O-])CC2)cc1 ZINC000374890692 1127918391 /nfs/dbraw/zinc/91/83/91/1127918391.db2.gz BHBKDDGMRLHGAA-UHFFFAOYSA-N 0 3 290.366 3.553 20 30 CHEDHN N#Cc1ccc(C2=CC[N@@H+](Cc3ccccc3[O-])CC2)cc1 ZINC000374890692 1127918392 /nfs/dbraw/zinc/91/83/92/1127918392.db2.gz BHBKDDGMRLHGAA-UHFFFAOYSA-N 0 3 290.366 3.553 20 30 CHEDHN C[C@@H](C#N)CN(CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000468392430 1128006010 /nfs/dbraw/zinc/00/60/10/1128006010.db2.gz LKBOIBGYVPUZIA-HIFPTAJRSA-N 0 3 288.357 3.979 20 30 CHEDHN C=CCN(Cc1ccc(OC)c(OCC(=C)C)c1)C1CC1 ZINC000541764961 1128037350 /nfs/dbraw/zinc/03/73/50/1128037350.db2.gz NTKWFXJRBUCXPX-UHFFFAOYSA-N 0 3 287.403 3.801 20 30 CHEDHN C=CCOCCCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000470779237 1128076702 /nfs/dbraw/zinc/07/67/02/1128076702.db2.gz LRZPWVHXGQBNJN-GFCCVEGCSA-N 0 3 282.453 3.684 20 30 CHEDHN C=C(C)CN(CCO[C@@H]1CCCCO1)Cc1ccccc1 ZINC000470919257 1128080840 /nfs/dbraw/zinc/08/08/40/1128080840.db2.gz PJDUBIRVICAEDC-GOSISDBHSA-N 0 3 289.419 3.608 20 30 CHEDHN COCc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271935336 1128082851 /nfs/dbraw/zinc/08/28/51/1128082851.db2.gz MUFCLLQDDHHFEA-CYBMUJFWSA-N 0 3 298.361 3.695 20 30 CHEDHN C[C@H](NCCOC1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271951032 1128084590 /nfs/dbraw/zinc/08/45/90/1128084590.db2.gz OLSGXIVDWXSGBU-ZDUSSCGKSA-N 0 3 290.382 3.697 20 30 CHEDHN C[C@H](NCCOCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271992225 1128093536 /nfs/dbraw/zinc/09/35/36/1128093536.db2.gz ZOYVZSCMOJGXSL-AWEZNQCLSA-N 0 3 298.361 3.565 20 30 CHEDHN CCC(CC)CN(CCC#N)CCCC(C)(C)C#N ZINC000174876242 1128108312 /nfs/dbraw/zinc/10/83/12/1128108312.db2.gz ZQFFKQWIXBQYRN-UHFFFAOYSA-N 0 3 263.429 3.968 20 30 CHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(C(C)(C)O)cc1 ZINC000924699855 1128110091 /nfs/dbraw/zinc/11/00/91/1128110091.db2.gz JQCPOFSXKPBWJB-AWEZNQCLSA-N 0 3 294.398 3.636 20 30 CHEDHN CCc1cccc2c1OCC[C@@H]2N[C@H](C)CC(C)(C)C#N ZINC000925361359 1128128793 /nfs/dbraw/zinc/12/87/93/1128128793.db2.gz OEJHNKYQCOHJTK-CJNGLKHVSA-N 0 3 286.419 3.991 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(OC(C)(C)C)nc1 ZINC000926112161 1128154977 /nfs/dbraw/zinc/15/49/77/1128154977.db2.gz NIAHVPANYKUTSS-CYBMUJFWSA-N 0 3 289.423 3.677 20 30 CHEDHN C=CCCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001307635436 1128160727 /nfs/dbraw/zinc/16/07/27/1128160727.db2.gz MJVNUMWCYHRTTO-LSDHHAIUSA-N 0 3 296.455 3.672 20 30 CHEDHN C=CCCCCCCN[C@@H](C)c1cn(C(C)C)nn1 ZINC000926424440 1128170760 /nfs/dbraw/zinc/17/07/60/1128170760.db2.gz YRSKNBVTYKPBDO-AWEZNQCLSA-N 0 3 264.417 3.646 20 30 CHEDHN CCSc1ccccc1C[C@H](C)NCC(C)(C)C#N ZINC000926874817 1128199028 /nfs/dbraw/zinc/19/90/28/1128199028.db2.gz UZUAERGRBVJIRB-ZDUSSCGKSA-N 0 3 276.449 3.869 20 30 CHEDHN Cc1ccccc1C[C@@H](NCCCC#N)c1ccco1 ZINC000926132150 1128156928 /nfs/dbraw/zinc/15/69/28/1128156928.db2.gz JESHJLGBIPSWET-MRXNPFEDSA-N 0 3 268.360 3.765 20 30 CHEDHN C=C(C)COCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000761986440 1128259636 /nfs/dbraw/zinc/25/96/36/1128259636.db2.gz MLHPNEXQDTXQIW-UHFFFAOYSA-N 0 3 297.398 3.742 20 30 CHEDHN Cc1nc2c(s1)[C@H](NCc1ccc(C)c(C#N)c1)CCC2 ZINC000926967208 1128206404 /nfs/dbraw/zinc/20/64/04/1128206404.db2.gz QJABTEXHFNDOGB-OAHLLOKOSA-N 0 3 297.427 3.799 20 30 CHEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCSC1 ZINC000495151687 1128237827 /nfs/dbraw/zinc/23/78/27/1128237827.db2.gz RBXILFGQJMVEME-ZDUSSCGKSA-N 0 3 265.397 3.567 20 30 CHEDHN CC(C)C[C@H]1COCCN1CCCCC1(C#N)CCC1 ZINC000929645380 1128280798 /nfs/dbraw/zinc/28/07/98/1128280798.db2.gz HGIHWGQPWPNYRU-INIZCTEOSA-N 0 3 278.440 3.597 20 30 CHEDHN Cc1ccccc1[C@@H]1CN(CC2CCC(C#N)CC2)CCO1 ZINC000929707908 1128283156 /nfs/dbraw/zinc/28/31/56/1128283156.db2.gz NGVOBVXUAULYCE-TVPLGVNVSA-N 0 3 298.430 3.698 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H]1c1ccc[nH]1 ZINC000929883734 1128291881 /nfs/dbraw/zinc/29/18/81/1128291881.db2.gz BEWVOLIOKFRWAU-SFHVURJKSA-N 0 3 279.387 3.840 20 30 CHEDHN N#CC1CCC(CN2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000929966960 1128295713 /nfs/dbraw/zinc/29/57/13/1128295713.db2.gz MZRHFBDJWYIMIV-UHFFFAOYSA-N 0 3 293.414 3.856 20 30 CHEDHN C[C@H](C/N=C/c1cc(Cl)ccc1[O-])[N@@H+]1CCCC[C@H]1C ZINC000915271432 1128298514 /nfs/dbraw/zinc/29/85/14/1128298514.db2.gz URVMJEVFHQQORT-JHIOMVTJSA-N 0 3 294.826 3.727 20 30 CHEDHN C[C@H](C/N=C/c1cc(Cl)ccc1[O-])[N@H+]1CCCC[C@H]1C ZINC000915271432 1128298518 /nfs/dbraw/zinc/29/85/18/1128298518.db2.gz URVMJEVFHQQORT-JHIOMVTJSA-N 0 3 294.826 3.727 20 30 CHEDHN Cc1cc([C@H](NCc2cncc(C#N)c2)C2CC2)ccc1F ZINC000930240445 1128309827 /nfs/dbraw/zinc/30/98/27/1128309827.db2.gz UMFUEQFUWACRGR-GOSISDBHSA-N 0 3 295.361 3.642 20 30 CHEDHN CC1=C(Br)CN(CC2CCC(C#N)CC2)CC1 ZINC000930305377 1128312726 /nfs/dbraw/zinc/31/27/26/1128312726.db2.gz AFROXSVQHKXMGP-UHFFFAOYSA-N 0 3 297.240 3.691 20 30 CHEDHN CCCc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000915680846 1128334537 /nfs/dbraw/zinc/33/45/37/1128334537.db2.gz DUUBWBOXIQXBBL-UHFFFAOYSA-N 0 3 264.372 3.801 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000930923348 1128340687 /nfs/dbraw/zinc/34/06/87/1128340687.db2.gz OEJBZWNCTIGTAW-BPUTZDHNSA-N 0 3 290.357 3.661 20 30 CHEDHN C=C(C)CN1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000932553064 1128414096 /nfs/dbraw/zinc/41/40/96/1128414096.db2.gz WYLAJIWZXFJZHN-UHFFFAOYSA-N 0 3 299.443 3.961 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccsc2)c([O-])c1 ZINC000915980677 1128400192 /nfs/dbraw/zinc/40/01/92/1128400192.db2.gz YRGNGJAIVWXEDH-BOPFTXTBSA-N 0 3 288.416 3.919 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000763390128 1128430845 /nfs/dbraw/zinc/43/08/45/1128430845.db2.gz SSXVSRDYWYBUCQ-KRWDZBQOSA-N 0 3 282.774 3.989 20 30 CHEDHN CCC[C@@](C)(NCc1cncc(C#N)c1)c1ccccc1 ZINC000934181041 1128454120 /nfs/dbraw/zinc/45/41/20/1128454120.db2.gz YQGUNXPDQFGUKV-GOSISDBHSA-N 0 3 279.387 3.758 20 30 CHEDHN N#CC(C(=O)CC1CCCC1)c1ccc2ccccc2n1 ZINC000916848786 1128457268 /nfs/dbraw/zinc/45/72/68/1128457268.db2.gz GXGTXJJZIVMHFE-HNNXBMFYSA-N 0 3 278.355 3.991 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000154418001 1128501763 /nfs/dbraw/zinc/50/17/63/1128501763.db2.gz GODZUKNDOMXLPJ-HNNXBMFYSA-N 0 3 292.382 3.536 20 30 CHEDHN CC[C@@H](CC#N)NCCCOc1cccc2ccccc21 ZINC000565171940 1128521304 /nfs/dbraw/zinc/52/13/04/1128521304.db2.gz JRAWIFPDIFQRIW-INIZCTEOSA-N 0 3 282.387 3.891 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000154715775 1128542930 /nfs/dbraw/zinc/54/29/30/1128542930.db2.gz FPRNMGJNNWGZBR-QGZVFWFLSA-N 0 3 287.428 3.860 20 30 CHEDHN CN(CC1CCC(C(F)(F)F)CC1)CC(C)(C)C#N ZINC000568376360 1128583765 /nfs/dbraw/zinc/58/37/65/1128583765.db2.gz BMPGZWDTEVOCPB-UHFFFAOYSA-N 0 3 276.346 3.837 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1F ZINC000037502477 1128583967 /nfs/dbraw/zinc/58/39/67/1128583967.db2.gz UCNYBUGOXXBZMV-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN CCCCCCCC(=O)N(CCN(C)C)C1CCCC1 ZINC000919695097 1128623264 /nfs/dbraw/zinc/62/32/64/1128623264.db2.gz QORNMEZTYUHUCF-UHFFFAOYSA-N 0 3 282.472 3.680 20 30 CHEDHN N#Cc1ccccc1CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000556884127 1128633680 /nfs/dbraw/zinc/63/36/80/1128633680.db2.gz PRUYYGSBMMWTLN-QGZVFWFLSA-N 0 3 280.346 3.687 20 30 CHEDHN C#CC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCc2ccccc21 ZINC000778984979 1128674415 /nfs/dbraw/zinc/67/44/15/1128674415.db2.gz OEXZQHYRCCNXSI-GOSISDBHSA-N 0 3 295.357 3.654 20 30 CHEDHN C#CC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCc2ccccc21 ZINC000778984979 1128674416 /nfs/dbraw/zinc/67/44/16/1128674416.db2.gz OEXZQHYRCCNXSI-GOSISDBHSA-N 0 3 295.357 3.654 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/C2CCCC2)c([O-])c1 ZINC000920942412 1128695345 /nfs/dbraw/zinc/69/53/45/1128695345.db2.gz CDCKPFZNJISKPH-SFQUDFHCSA-N 0 3 260.381 3.600 20 30 CHEDHN COc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000601267011 1128707277 /nfs/dbraw/zinc/70/72/77/1128707277.db2.gz SQTOKBXXTUXOLV-ORAYPTAESA-N 0 3 292.382 3.905 20 30 CHEDHN COc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000601265402 1128707553 /nfs/dbraw/zinc/70/75/53/1128707553.db2.gz PQTREWFECZXWNE-DJJJIMSYSA-N 0 3 292.382 3.905 20 30 CHEDHN CC[C@H](C)N(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000578140240 1128708684 /nfs/dbraw/zinc/70/86/84/1128708684.db2.gz CZZLWOQTWOZECG-HNNXBMFYSA-N 0 3 279.387 3.754 20 30 CHEDHN Cc1ccc(C[C@H](C)N(C)Cc2ccccc2C#N)cc1 ZINC000610003591 1128734638 /nfs/dbraw/zinc/73/46/38/1128734638.db2.gz ZRPXJKMORNKJSC-INIZCTEOSA-N 0 3 278.399 3.930 20 30 CHEDHN COC(C)(C)[C@@H]1CCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238192979 1117818366 /nfs/dbraw/zinc/81/83/66/1117818366.db2.gz XMNKBYQTZXSAOB-HNNXBMFYSA-N 0 3 292.810 3.601 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000119356362 1117892219 /nfs/dbraw/zinc/89/22/19/1117892219.db2.gz LNNBDLPXPXAESM-NXEZZACHSA-N 0 3 269.772 3.582 20 30 CHEDHN COCc1ccccc1CNCc1c(C)cc(C#N)cc1C ZINC000921500506 1117899184 /nfs/dbraw/zinc/89/91/84/1117899184.db2.gz DWPNMJMUFIIEDF-UHFFFAOYSA-N 0 3 294.398 3.611 20 30 CHEDHN N#CCCCN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000339608438 1117914083 /nfs/dbraw/zinc/91/40/83/1117914083.db2.gz ZSURTIZDXVEBJS-LJQANCHMSA-N 0 3 276.383 3.938 20 30 CHEDHN C=C(C)CCNCc1csc(-c2ccc(OC)cc2)n1 ZINC000648727212 1117921676 /nfs/dbraw/zinc/92/16/76/1117921676.db2.gz YVGRXSNJRBJTRW-UHFFFAOYSA-N 0 3 288.416 3.875 20 30 CHEDHN N#CCCCN[C@H](c1ccccc1F)C1CCCC1 ZINC000181500281 1118000766 /nfs/dbraw/zinc/00/07/66/1118000766.db2.gz WYEYXSUFRSRGKQ-INIZCTEOSA-N 0 3 260.356 3.950 20 30 CHEDHN CCN(CCC1CC1)Cc1ccc(C#N)cc1Cl ZINC000386085773 1118014945 /nfs/dbraw/zinc/01/49/45/1118014945.db2.gz LNXNMPFVNURUFC-UHFFFAOYSA-N 0 3 262.784 3.834 20 30 CHEDHN Cc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ccc1F ZINC000237701804 1128752548 /nfs/dbraw/zinc/75/25/48/1128752548.db2.gz WETYDQXFEQMXOV-AWEZNQCLSA-N 0 3 298.361 3.715 20 30 CHEDHN C=CCCCCCCCN1CCOCC12CCC2 ZINC001209441859 1118061780 /nfs/dbraw/zinc/06/17/80/1118061780.db2.gz LYGFVHDUQNONKU-UHFFFAOYSA-N 0 3 251.414 3.768 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(F)c(C)c2)cc1 ZINC000764744382 1118109976 /nfs/dbraw/zinc/10/99/76/1118109976.db2.gz UMSNMCSIUBLIQA-HNNXBMFYSA-N 0 3 297.373 3.997 20 30 CHEDHN C#CCN(CCCC1CCC1)Cc1ccc(F)cc1 ZINC001167274067 1118138422 /nfs/dbraw/zinc/13/84/22/1118138422.db2.gz WXCPIUSAFZLQDL-UHFFFAOYSA-N 0 3 259.368 3.841 20 30 CHEDHN C#CCOc1ccccc1CNCc1c(C)cccc1C ZINC000765280127 1118142796 /nfs/dbraw/zinc/14/27/96/1118142796.db2.gz QIEGAWVXLBYEOG-UHFFFAOYSA-N 0 3 279.383 3.605 20 30 CHEDHN COCc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000921515073 1118154791 /nfs/dbraw/zinc/15/47/91/1118154791.db2.gz OBYBXUDMYYTJLP-UHFFFAOYSA-N 0 3 294.398 3.611 20 30 CHEDHN C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccc(C#N)cc1 ZINC000921516976 1118156230 /nfs/dbraw/zinc/15/62/30/1118156230.db2.gz WXZRGBXRZSINLQ-KBPBESRZSA-N 0 3 292.382 3.732 20 30 CHEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)ccc1F ZINC000130762541 1118195590 /nfs/dbraw/zinc/19/55/90/1118195590.db2.gz RDLZNBLBVMENOL-UHFFFAOYSA-N 0 3 268.335 3.638 20 30 CHEDHN CCC#C[C@@H](C)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000671705932 1118277249 /nfs/dbraw/zinc/27/72/49/1118277249.db2.gz NBTHXDZJNDNXOD-HIFRSBDPSA-N 0 3 275.392 3.546 20 30 CHEDHN COc1ccc(CN(C)Cc2ccc(C#N)cc2C)cc1 ZINC000165450233 1118278216 /nfs/dbraw/zinc/27/82/16/1118278216.db2.gz WOOAPBQEGJVBAV-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C=CCCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001168604733 1118388758 /nfs/dbraw/zinc/38/87/58/1118388758.db2.gz RWKZDMJZOWSIHN-GJZGRUSLSA-N 0 3 296.455 3.672 20 30 CHEDHN C#C[C@H](N[C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(F)cc1 ZINC001658186418 1118463212 /nfs/dbraw/zinc/46/32/12/1118463212.db2.gz PWCPJYJBRPEMTF-IKGGRYGDSA-N 0 3 289.394 3.683 20 30 CHEDHN Cc1ccc(CN(C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000160522460 1118467031 /nfs/dbraw/zinc/46/70/31/1118467031.db2.gz YMKCBYFRFBQAQF-UHFFFAOYSA-N 0 3 268.335 3.638 20 30 CHEDHN C=CCCCCN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000471620647 1118508502 /nfs/dbraw/zinc/50/85/02/1118508502.db2.gz QQPWCXYVJJFQFM-HNNXBMFYSA-N 0 3 298.434 3.891 20 30 CHEDHN C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(C#N)s1 ZINC000334330543 1118549771 /nfs/dbraw/zinc/54/97/71/1118549771.db2.gz OMFJKAWPYKSCOD-ZBEGNZNMSA-N 0 3 268.385 3.643 20 30 CHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccccc2)s1 ZINC000430588245 1118576442 /nfs/dbraw/zinc/57/64/42/1118576442.db2.gz CLCFTOURZHPLAV-LBPRGKRZSA-N 0 3 284.384 3.931 20 30 CHEDHN C=CCc1cc(C[N@H+](C)[C@@H](C)C(C)C)c([O-])c(OC)c1 ZINC000754726587 1118646676 /nfs/dbraw/zinc/64/66/76/1118646676.db2.gz RKRKUXDUWPPXKP-ZDUSSCGKSA-N 0 3 277.408 3.606 20 30 CHEDHN C=CCc1cc(C[N@@H+](C)[C@@H](C)C(C)C)c([O-])c(OC)c1 ZINC000754726587 1118646678 /nfs/dbraw/zinc/64/66/78/1118646678.db2.gz RKRKUXDUWPPXKP-ZDUSSCGKSA-N 0 3 277.408 3.606 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CCCS2)c([O-])c1 ZINC000255354007 1118661467 /nfs/dbraw/zinc/66/14/67/1118661467.db2.gz QNVNSPAEZBXOPE-QJISPJEISA-N 0 3 292.448 3.553 20 30 CHEDHN N#Cc1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)ccn1 ZINC000610993134 1118919470 /nfs/dbraw/zinc/91/94/70/1118919470.db2.gz FHRROYOUNWEIPJ-SFHVURJKSA-N 0 3 295.361 3.723 20 30 CHEDHN Cc1cscc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000494471621 1119028286 /nfs/dbraw/zinc/02/82/86/1119028286.db2.gz MHFHQTIQLDMEFW-NSHDSACASA-N 0 3 274.364 3.918 20 30 CHEDHN CCN(CCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000076071653 1119182218 /nfs/dbraw/zinc/18/22/18/1119182218.db2.gz TYRNXDKZRNYBAC-INIZCTEOSA-N 0 3 262.372 3.628 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)s1)c1cccs1 ZINC000135685380 1119213638 /nfs/dbraw/zinc/21/36/38/1119213638.db2.gz UNVXBTBDPNJLEC-LBPRGKRZSA-N 0 3 262.403 3.922 20 30 CHEDHN CCN(CCc1ccccc1)Cc1cc(C#N)ccc1F ZINC000051923728 1119220304 /nfs/dbraw/zinc/22/03/04/1119220304.db2.gz SOUWJMUORUTAFN-UHFFFAOYSA-N 0 3 282.362 3.762 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(-c3ccccc3)o2)C1 ZINC000349793496 1119238529 /nfs/dbraw/zinc/23/85/29/1119238529.db2.gz WCNFQTLHYVRZHI-UKRRQHHQSA-N 0 3 266.344 3.728 20 30 CHEDHN N#Cc1csc(CN[C@H](c2cccs2)C2CC2)c1 ZINC000343075215 1119301182 /nfs/dbraw/zinc/30/11/82/1119301182.db2.gz ZCFYGWYLKSGMRW-AWEZNQCLSA-N 0 3 274.414 3.922 20 30 CHEDHN C#CCN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000157168296 1119384913 /nfs/dbraw/zinc/38/49/13/1119384913.db2.gz UBOXXPFORUATAK-JTQLQIEISA-N 0 3 274.364 3.541 20 30 CHEDHN CCCN(CC1(C#N)CC1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000343321973 1119385952 /nfs/dbraw/zinc/38/59/52/1119385952.db2.gz PGTJSFCTYMTVRZ-HOTGVXAUSA-N 0 3 290.451 3.740 20 30 CHEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1ccccc1Cl ZINC000246055570 1119388225 /nfs/dbraw/zinc/38/82/25/1119388225.db2.gz VGNMHKGKNYXIEB-STQMWFEESA-N 0 3 267.800 3.660 20 30 CHEDHN CC(C)(C#N)CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000157579767 1119401991 /nfs/dbraw/zinc/40/19/91/1119401991.db2.gz GCRIVRUPQBSDOK-UHFFFAOYSA-N 0 3 284.403 3.521 20 30 CHEDHN C=CCCC(C)(C)NCc1ccn(-c2ccccc2)n1 ZINC000657805435 1119432176 /nfs/dbraw/zinc/43/21/76/1119432176.db2.gz OPCYXCHEWAALCY-UHFFFAOYSA-N 0 3 269.392 3.707 20 30 CHEDHN CCCN(Cc1ccc(C#N)cn1)[C@H]1CCc2ccccc21 ZINC000584061468 1119469167 /nfs/dbraw/zinc/46/91/67/1119469167.db2.gz MFUGYRAOMZWUNO-IBGZPJMESA-N 0 3 291.398 3.853 20 30 CHEDHN C=C(Br)CNC(C)(C)CCc1ccccc1 ZINC000158850048 1119471757 /nfs/dbraw/zinc/47/17/57/1119471757.db2.gz MTPSBCNOXIQFLZ-UHFFFAOYSA-N 0 3 282.225 3.896 20 30 CHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2ccc(F)cc2C#N)C1 ZINC000343731037 1119496856 /nfs/dbraw/zinc/49/68/56/1119496856.db2.gz YRTDQWGWTHVWNG-MLGOLLRUSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C(C)C)s1 ZINC000657905103 1119623845 /nfs/dbraw/zinc/62/38/45/1119623845.db2.gz XRJMBTDGCRMMEC-STQMWFEESA-N 0 3 279.453 3.886 20 30 CHEDHN N#CC1(CNC2CC(Sc3ccccc3)C2)CCC1 ZINC000926628385 1119747268 /nfs/dbraw/zinc/74/72/68/1119747268.db2.gz VBINDDOKQFTQSC-UHFFFAOYSA-N 0 3 272.417 3.593 20 30 CHEDHN C[C@@H]1CC[C@@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000177731897 1119849392 /nfs/dbraw/zinc/84/93/92/1119849392.db2.gz VRDYGTRXFSDEKN-JHJVBQTASA-N 0 3 282.343 3.830 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1ccc2ccccc2n1 ZINC000414160441 1119922598 /nfs/dbraw/zinc/92/25/98/1119922598.db2.gz DCUOPLRAVJCSPX-ZDUSSCGKSA-N 0 3 267.376 3.825 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1cnn(Cc2ccccc2)c1 ZINC000414167100 1119923799 /nfs/dbraw/zinc/92/37/99/1119923799.db2.gz OOKPOWNTZMTDGJ-HNNXBMFYSA-N 0 3 296.418 3.522 20 30 CHEDHN CO[C@@](C)([C@@H](C)N[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000414239907 1119951515 /nfs/dbraw/zinc/95/15/15/1119951515.db2.gz NEIFWVLOLPSNBY-QFSBIZTOSA-N 0 3 290.382 3.552 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)Cc1cccc(N(C)C)c1 ZINC000186309418 1120019784 /nfs/dbraw/zinc/01/97/84/1120019784.db2.gz IHVKXRZKXOJSRN-UHFFFAOYSA-N 0 3 293.414 3.565 20 30 CHEDHN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000301067753 1120130237 /nfs/dbraw/zinc/13/02/37/1120130237.db2.gz KIXCXJDCVNOETI-QGZVFWFLSA-N 0 3 295.386 3.790 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)nc1 ZINC000153750557 1120171575 /nfs/dbraw/zinc/17/15/75/1120171575.db2.gz GNJKHKKRLBSWDL-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(SC(F)F)cc1 ZINC001116642752 1120180099 /nfs/dbraw/zinc/18/00/99/1120180099.db2.gz AEFNZBPPIVSZQC-PWSUYJOCSA-N 0 3 287.375 3.853 20 30 CHEDHN CCC1(C)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000361707586 1120191223 /nfs/dbraw/zinc/19/12/23/1120191223.db2.gz WEWJQNGNFIBVNL-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccccc1N(C)C ZINC000921757970 1120200353 /nfs/dbraw/zinc/20/03/53/1120200353.db2.gz AUBWWBVYNXYANY-UHFFFAOYSA-N 0 3 293.414 3.531 20 30 CHEDHN COc1ccc(C#N)cc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC000250394486 1120206181 /nfs/dbraw/zinc/20/61/81/1120206181.db2.gz GGFPBTPCBCIUGH-CVEARBPZSA-N 0 3 284.403 3.579 20 30 CHEDHN CC#CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542947216 1120274766 /nfs/dbraw/zinc/27/47/66/1120274766.db2.gz VXAXYZFNIUUASR-OAHLLOKOSA-N 0 3 274.367 3.899 20 30 CHEDHN Cc1cccc(C)c1CNCc1ccc(C#N)s1 ZINC000132131470 1120355343 /nfs/dbraw/zinc/35/53/43/1120355343.db2.gz BKRXOSDUDKNEEF-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN CCN(Cc1ccc(CC#N)cc1)Cc1cccc(F)c1 ZINC000543138334 1120441365 /nfs/dbraw/zinc/44/13/65/1120441365.db2.gz FGWADTHJSRZISK-UHFFFAOYSA-N 0 3 282.362 3.914 20 30 CHEDHN CCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccn1 ZINC000618567915 1128919734 /nfs/dbraw/zinc/91/97/34/1128919734.db2.gz IRGZPHLUNGJXDH-LZWOXQAQSA-N 0 3 257.381 3.595 20 30 CHEDHN C=CCCCCCCNCc1c(C)nn(C)c1Cl ZINC000310841365 1120489520 /nfs/dbraw/zinc/48/95/20/1120489520.db2.gz BDXZWPSUZLVXHH-UHFFFAOYSA-N 0 3 269.820 3.608 20 30 CHEDHN COc1ccccc1[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000069085664 1120492299 /nfs/dbraw/zinc/49/22/99/1120492299.db2.gz MAFLAJQUUDWFBC-GOSISDBHSA-N 0 3 292.382 3.904 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000343863920 1120553326 /nfs/dbraw/zinc/55/33/26/1120553326.db2.gz JPYCXCIOXQJQDQ-HNNXBMFYSA-N 0 3 274.364 4.000 20 30 CHEDHN CC(C)N(Cc1cccc(F)c1C#N)CC1CCC1 ZINC000428972356 1120592954 /nfs/dbraw/zinc/59/29/54/1120592954.db2.gz XHVSKXARNAZSSN-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CC[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000766018205 1120655798 /nfs/dbraw/zinc/65/57/98/1120655798.db2.gz GJZAVRKZCNFXEH-RDTXWAMCSA-N 0 3 294.398 3.985 20 30 CHEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000661379360 1120759989 /nfs/dbraw/zinc/75/99/89/1120759989.db2.gz XHBCPIQZVRISOZ-HOTGVXAUSA-N 0 3 286.419 3.610 20 30 CHEDHN CCCCCCCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000178437518 1120786680 /nfs/dbraw/zinc/78/66/80/1120786680.db2.gz SQLMKWLDHCZQLP-LJQANCHMSA-N 0 3 281.465 3.826 20 30 CHEDHN FCC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000661691826 1120788273 /nfs/dbraw/zinc/78/82/73/1120788273.db2.gz BLHUQFJQSKYAHT-HNNXBMFYSA-N 0 3 279.786 3.763 20 30 CHEDHN C=CCN(Cc1ccc(-c2ccccn2)nc1)C(C)(C)C ZINC000661758276 1120809567 /nfs/dbraw/zinc/80/95/67/1120809567.db2.gz QNMUOSHVWRNODJ-UHFFFAOYSA-N 0 3 281.403 3.930 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc2ccccc2s1 ZINC000662081058 1120871807 /nfs/dbraw/zinc/87/18/07/1120871807.db2.gz STUIAPJFIVAVKP-BETUJISGSA-N 0 3 270.401 3.979 20 30 CHEDHN CN(Cc1ccc(C#N)s1)C(C)(C)c1ccccc1 ZINC000585767842 1121031986 /nfs/dbraw/zinc/03/19/86/1121031986.db2.gz JWRXWPQDCYLHJI-UHFFFAOYSA-N 0 3 270.401 3.987 20 30 CHEDHN C=CC[C@@H](C)N[C@H](C)c1cc(Br)ncc1F ZINC000273902246 1121049167 /nfs/dbraw/zinc/04/91/67/1121049167.db2.gz WAPTZJSFYFJCTE-RKDXNWHRSA-N 0 3 287.176 3.598 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000625704810 1121065382 /nfs/dbraw/zinc/06/53/82/1121065382.db2.gz KZNLVPSCUFCUBT-CYBMUJFWSA-N 0 3 286.350 3.879 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccncc2CC)cc1 ZINC000773430459 1121102670 /nfs/dbraw/zinc/10/26/70/1121102670.db2.gz ZNWOTUZYKVIFID-HNNXBMFYSA-N 0 3 294.398 3.507 20 30 CHEDHN Cc1ccc2c(c1)CN(CCCCC(C)(C)C#N)CCO2 ZINC000512176830 1121140981 /nfs/dbraw/zinc/14/09/81/1121140981.db2.gz DYIADGBSGYXPRY-UHFFFAOYSA-N 0 3 286.419 3.910 20 30 CHEDHN C=C(CC)CN(Cc1ccco1)Cc1ccccc1O ZINC000773457285 1121187759 /nfs/dbraw/zinc/18/77/59/1121187759.db2.gz YVMVYOPRIQHSAP-UHFFFAOYSA-N 0 3 271.360 3.954 20 30 CHEDHN C=CCOCCN1CC=C(c2ccc(Cl)cc2C)CC1 ZINC001175141213 1121199243 /nfs/dbraw/zinc/19/92/43/1121199243.db2.gz WONVZYXAZNJETI-UHFFFAOYSA-N 0 3 291.822 3.940 20 30 CHEDHN C=C(C)CNCc1ccc(-c2cccc(F)c2F)o1 ZINC000512389849 1121302634 /nfs/dbraw/zinc/30/26/34/1121302634.db2.gz UFFAXBPHPGJRHT-UHFFFAOYSA-N 0 3 263.287 3.891 20 30 CHEDHN CC1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000432810760 1121375667 /nfs/dbraw/zinc/37/56/67/1121375667.db2.gz AULNPYRNGSDSDA-SJORKVTESA-N 0 3 268.404 3.948 20 30 CHEDHN C[C@H](N[C@H]1CCCc2c(O)cccc21)c1cccc(C#N)c1 ZINC000192354867 1128988631 /nfs/dbraw/zinc/98/86/31/1128988631.db2.gz POJREAPUMLKRCS-UGSOOPFHSA-N 0 3 292.382 3.992 20 30 CHEDHN CO[C@]1(C)C[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000512662688 1121512827 /nfs/dbraw/zinc/51/28/27/1121512827.db2.gz ZNIAGGLRTPBDOZ-XQAQDONZSA-N 0 3 290.382 3.552 20 30 CHEDHN C[C@@H](NCC(C)(C)C#N)[C@@H](C)c1ccc(Cl)cc1 ZINC000619428869 1128990623 /nfs/dbraw/zinc/99/06/23/1128990623.db2.gz IVXGXAVTVOSJCC-VXGBXAGGSA-N 0 3 264.800 3.971 20 30 CHEDHN C=C(C)CCN(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000509292686 1121517056 /nfs/dbraw/zinc/51/70/56/1121517056.db2.gz BCVMLNHEPURQNM-QGZVFWFLSA-N 0 3 289.419 3.642 20 30 CHEDHN Cc1ccccc1OCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512668988 1121520012 /nfs/dbraw/zinc/52/00/12/1121520012.db2.gz YDLLUJIIASZSLX-AWEZNQCLSA-N 0 3 298.361 3.735 20 30 CHEDHN C(#Cc1ccccc1)CN1CCC[C@H](c2ccccc2)C1 ZINC000433049777 1121538265 /nfs/dbraw/zinc/53/82/65/1121538265.db2.gz YGJQNFQDZROEAP-FQEVSTJZSA-N 0 3 275.395 3.918 20 30 CHEDHN C=C(C)CNc1ccnc2ccc(C(F)(F)F)cc21 ZINC001163378463 1121553886 /nfs/dbraw/zinc/55/38/86/1121553886.db2.gz ICISQLNIGZVGKA-UHFFFAOYSA-N 0 3 266.266 3.664 20 30 CHEDHN C=C(CC)CN1CCC(c2ncc(C)s2)CC1 ZINC000433284030 1121640779 /nfs/dbraw/zinc/64/07/79/1121640779.db2.gz FCCQMXMUFUUGSQ-UHFFFAOYSA-N 0 3 250.411 3.597 20 30 CHEDHN CC[C@H](NCc1ccnc(C#N)c1)c1ccc(C)cc1 ZINC000611376546 1121642251 /nfs/dbraw/zinc/64/22/51/1121642251.db2.gz IHALMJXWTPPWDV-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000611438810 1121647478 /nfs/dbraw/zinc/64/74/78/1121647478.db2.gz WDWGUZYCNRVXBR-ZIAGYGMSSA-N 0 3 275.355 3.842 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCC(C)(C)C ZINC000729068231 1121739713 /nfs/dbraw/zinc/73/97/13/1121739713.db2.gz ZEDHYWYFASDKCW-ZDUSSCGKSA-N 0 3 297.402 3.966 20 30 CHEDHN N#Cc1ccc(CNCc2ccccc2)cc1Cl ZINC000619748874 1129012587 /nfs/dbraw/zinc/01/25/87/1129012587.db2.gz RFDKPJCZZSHQQW-UHFFFAOYSA-N 0 3 256.736 3.501 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1nccn1CC ZINC000414299295 1121839042 /nfs/dbraw/zinc/83/90/42/1121839042.db2.gz KNCYENIHJLDKIN-NVXWUHKLSA-N 0 3 283.419 3.741 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)Cc2ccccc21 ZINC000731210211 1121853976 /nfs/dbraw/zinc/85/39/76/1121853976.db2.gz DFPGYPWKIOBEHZ-OAHLLOKOSA-N 0 3 292.382 3.708 20 30 CHEDHN C#CC1(NCc2ccc(F)c(Cl)c2)CCCC1 ZINC001179438360 1121877374 /nfs/dbraw/zinc/87/73/74/1121877374.db2.gz UBKHOCPSJIXANR-UHFFFAOYSA-N 0 3 251.732 3.515 20 30 CHEDHN C#CCN(CCc1cccc(F)c1)Cc1ccc(F)cc1 ZINC001307445242 1121899299 /nfs/dbraw/zinc/89/92/99/1121899299.db2.gz WHRSHCGXXDFXPV-UHFFFAOYSA-N 0 3 285.337 3.643 20 30 CHEDHN CC(C#N)C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001179888851 1121919303 /nfs/dbraw/zinc/91/93/03/1121919303.db2.gz PSUQPSQDAFXBPG-SECBINFHSA-N 0 3 299.330 3.524 20 30 CHEDHN CCC1(CC)[C@H](N(C)CC#Cc2ccccc2)C[C@@H]1OC ZINC001179919895 1121931425 /nfs/dbraw/zinc/93/14/25/1121931425.db2.gz QFMNAIVSEZFKTN-MSOLQXFVSA-N 0 3 285.431 3.564 20 30 CHEDHN C#CCOc1ccccc1CNC/C=C\c1ccccc1 ZINC000732986511 1121950368 /nfs/dbraw/zinc/95/03/68/1121950368.db2.gz DAIFEDNUYNKMNP-FLIBITNWSA-N 0 3 277.367 3.502 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000501254654 1121964720 /nfs/dbraw/zinc/96/47/20/1121964720.db2.gz SGUJJOIEHADNJU-WBVHZDCISA-N 0 3 284.403 3.721 20 30 CHEDHN C=CCN(C)Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC001181054016 1122030082 /nfs/dbraw/zinc/03/00/82/1122030082.db2.gz DAVVNKQKWXGOGL-UHFFFAOYSA-N 0 3 297.171 3.687 20 30 CHEDHN CCCCCCC[C@H](C)C(=O)N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001181122509 1122037824 /nfs/dbraw/zinc/03/78/24/1122037824.db2.gz UJQCCARVLPNNJR-BBWFWOEESA-N 0 3 294.483 3.536 20 30 CHEDHN Cc1cccc(OCCCNCC#Cc2ccccc2)c1C ZINC001181390637 1122053661 /nfs/dbraw/zinc/05/36/61/1122053661.db2.gz GXDOCOCDKKTNMN-UHFFFAOYSA-N 0 3 293.410 3.714 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC001183065011 1122205056 /nfs/dbraw/zinc/20/50/56/1122205056.db2.gz CMHIKLKARVXVGF-NSHDSACASA-N 0 3 276.767 3.879 20 30 CHEDHN C=CCc1cc(C[N@H+]2CC[C@H](C)[C@@H]2CC)c([O-])c(OC)c1 ZINC000774620197 1122218188 /nfs/dbraw/zinc/21/81/88/1122218188.db2.gz VNVJJBWPCXDQJS-BBRMVZONSA-N 0 3 289.419 3.750 20 30 CHEDHN C=CCc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2CC)c([O-])c(OC)c1 ZINC000774620197 1122218195 /nfs/dbraw/zinc/21/81/95/1122218195.db2.gz VNVJJBWPCXDQJS-BBRMVZONSA-N 0 3 289.419 3.750 20 30 CHEDHN C=CCN(CC=C)CCC(=O)Nc1cccc2ccccc21 ZINC000514121679 1122380842 /nfs/dbraw/zinc/38/08/42/1122380842.db2.gz YTCXZCYNCYMKJO-UHFFFAOYSA-N 0 3 294.398 3.842 20 30 CHEDHN C=C(C)CN(C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000514233073 1122390426 /nfs/dbraw/zinc/39/04/26/1122390426.db2.gz UXURYTPLFXDLIX-AWEZNQCLSA-N 0 3 253.773 3.535 20 30 CHEDHN C=CCN(CCOc1ccccc1OC)Cc1ccccc1 ZINC000515546951 1122507758 /nfs/dbraw/zinc/50/77/58/1122507758.db2.gz BMEZICHLXWEFKF-UHFFFAOYSA-N 0 3 297.398 3.762 20 30 CHEDHN CCCc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000775315066 1122515230 /nfs/dbraw/zinc/51/52/30/1122515230.db2.gz XSGJJPUEMTWPIZ-UHFFFAOYSA-N 0 3 294.398 3.809 20 30 CHEDHN C=C1CCN(C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC001190848014 1122557542 /nfs/dbraw/zinc/55/75/42/1122557542.db2.gz SYNMQRVQCXUHDL-MSOLQXFVSA-N 0 3 271.404 3.949 20 30 CHEDHN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1cc(C#N)ccn1 ZINC001191006402 1122563843 /nfs/dbraw/zinc/56/38/43/1122563843.db2.gz ZOKVJRSYZLOWIE-CYBMUJFWSA-N 0 3 299.805 3.670 20 30 CHEDHN C=CCCCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC001192150020 1122630225 /nfs/dbraw/zinc/63/02/25/1122630225.db2.gz SYGGYJGBENXPDM-UHFFFAOYSA-N 0 3 292.398 3.831 20 30 CHEDHN CCCCN(Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000437399885 1122632414 /nfs/dbraw/zinc/63/24/14/1122632414.db2.gz FGSMNWYRJLWTMQ-UHFFFAOYSA-N 0 3 294.345 3.924 20 30 CHEDHN C=C(Br)CN1CCC[C@@H]1[C@H](C)CCC ZINC001192174428 1122633584 /nfs/dbraw/zinc/63/35/84/1122633584.db2.gz ROKNKWAVCZYSBU-ZYHUDNBSSA-N 0 3 260.219 3.796 20 30 CHEDHN Cc1ccccc1[C@@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000775551153 1122660040 /nfs/dbraw/zinc/66/00/40/1122660040.db2.gz UDWOHTSVMPULKZ-MOPGFXCFSA-N 0 3 294.398 3.663 20 30 CHEDHN C#CCN[C@H](CCC=C)c1ccc(C(F)(F)F)cc1 ZINC000775554323 1122661342 /nfs/dbraw/zinc/66/13/42/1122661342.db2.gz WTBLSSXXEMVHSS-CQSZACIVSA-N 0 3 267.294 3.936 20 30 CHEDHN C=CCCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437882855 1122661934 /nfs/dbraw/zinc/66/19/34/1122661934.db2.gz SMUBQTQNAGLIKW-UHFFFAOYSA-N 0 3 280.318 3.558 20 30 CHEDHN CC[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438506538 1122707194 /nfs/dbraw/zinc/70/71/94/1122707194.db2.gz SWROAXRICHRFIR-ZDUSSCGKSA-N 0 3 297.320 3.669 20 30 CHEDHN CCC[C@@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000438543373 1122709363 /nfs/dbraw/zinc/70/93/63/1122709363.db2.gz ZJORBJXNYBFVOH-CQSZACIVSA-N 0 3 272.392 3.579 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1cc(Br)cs1 ZINC000336741669 1122731946 /nfs/dbraw/zinc/73/19/46/1122731946.db2.gz NKBOUUSMXAQLQB-SECBINFHSA-N 0 3 299.237 3.855 20 30 CHEDHN CCCCCCCCCOC(=O)NC1CCN(C)CC1 ZINC001194909886 1122821375 /nfs/dbraw/zinc/82/13/75/1122821375.db2.gz FOIZDTTTWKYAAE-UHFFFAOYSA-N 0 3 284.444 3.557 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc(Oc2cnccn2)cc1 ZINC000426570385 1122825650 /nfs/dbraw/zinc/82/56/50/1122825650.db2.gz KOVOVVOXYWJODQ-INIZCTEOSA-N 0 3 295.386 3.809 20 30 CHEDHN C#C[C@H](NC1CC2(C1)CO[C@@H](C)C2)c1ccc(Cl)cc1 ZINC000894552469 1122872532 /nfs/dbraw/zinc/87/25/32/1122872532.db2.gz HZILGDZYSZDOLW-FDTVDDQNSA-N 0 3 289.806 3.562 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(F)c1 ZINC000507215358 1122940000 /nfs/dbraw/zinc/94/00/00/1122940000.db2.gz VOVAQPDEBYPDRS-ZDUSSCGKSA-N 0 3 268.335 3.890 20 30 CHEDHN CC[C@@H](c1ccccc1)N(CC)Cc1ccc(C#N)cn1 ZINC000519600066 1122948250 /nfs/dbraw/zinc/94/82/50/1122948250.db2.gz AKASENLCZIFZRD-SFHVURJKSA-N 0 3 279.387 3.926 20 30 CHEDHN C#CCC1(NCc2cc(Cl)ccc2F)CCC1 ZINC001198034651 1122979430 /nfs/dbraw/zinc/97/94/30/1122979430.db2.gz ZEZGPMCWNNIRNK-UHFFFAOYSA-N 0 3 251.732 3.515 20 30 CHEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775835089 1122986167 /nfs/dbraw/zinc/98/61/67/1122986167.db2.gz RMZLIHVNDOCACB-OAHLLOKOSA-N 0 3 296.389 3.594 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1 ZINC000183714087 1129091259 /nfs/dbraw/zinc/09/12/59/1129091259.db2.gz ZHLJWWOKKBTCDM-CABCVRRESA-N 0 3 295.386 3.565 20 30 CHEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(CC)cc1 ZINC001198406010 1122990599 /nfs/dbraw/zinc/99/05/99/1122990599.db2.gz CXSWXCACVOVZPC-KRWDZBQOSA-N 0 3 286.419 3.618 20 30 CHEDHN N#Cc1cccc(CNCc2cccc3ccoc32)c1 ZINC001199178693 1123022852 /nfs/dbraw/zinc/02/28/52/1123022852.db2.gz AYAZARJHKCKPRU-UHFFFAOYSA-N 0 3 262.312 3.594 20 30 CHEDHN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCC#N ZINC000441064764 1123054656 /nfs/dbraw/zinc/05/46/56/1123054656.db2.gz JGIPDDORMCRILI-OXQOHEQNSA-N 0 3 290.410 3.979 20 30 CHEDHN C=CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000776155900 1123086299 /nfs/dbraw/zinc/08/62/99/1123086299.db2.gz JFERJZUYWZTDOY-KSSFIOAISA-N 0 3 277.371 3.921 20 30 CHEDHN C#CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000776168254 1123100737 /nfs/dbraw/zinc/10/07/37/1123100737.db2.gz ANXOGLNCCBSFOD-KXBFYZLASA-N 0 3 274.367 3.973 20 30 CHEDHN Cc1ccc([C@@H](C)NCC#Cc2ccccc2)s1 ZINC000051814291 1123123664 /nfs/dbraw/zinc/12/36/64/1123123664.db2.gz QVRHYRUBPPXIJP-CQSZACIVSA-N 0 3 255.386 3.759 20 30 CHEDHN CCCCCCCCCCCN1CCN(CCCO)CC1 ZINC001201631100 1123129988 /nfs/dbraw/zinc/12/99/88/1123129988.db2.gz MAKHQRCADWRWOR-UHFFFAOYSA-N 0 3 298.515 3.517 20 30 CHEDHN C#CCN1CCN(CCCCCCCCCCC)CC1 ZINC001201631302 1123130200 /nfs/dbraw/zinc/13/02/00/1123130200.db2.gz OUKRBLKDSAIDLM-UHFFFAOYSA-N 0 3 278.484 3.768 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(F)cc1C#N ZINC000441464303 1123136550 /nfs/dbraw/zinc/13/65/50/1123136550.db2.gz AJNJTLAMNPDRFR-XNJGSVPQSA-N 0 3 272.367 3.850 20 30 CHEDHN N#CCCC[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000340448406 1123145928 /nfs/dbraw/zinc/14/59/28/1123145928.db2.gz SMPKXCGBSNDLQM-IRXDYDNUSA-N 0 3 294.402 3.812 20 30 CHEDHN FC[C@]1(C(F)(F)F)CCN(CCCC(F)(F)F)C1 ZINC001202377881 1123204221 /nfs/dbraw/zinc/20/42/21/1123204221.db2.gz PEHUSEACBDHLDP-MRVPVSSYSA-N 0 3 281.215 3.553 20 30 CHEDHN C#CCOc1ccc(CNCc2cccc3ccoc32)cc1 ZINC001202467322 1123211313 /nfs/dbraw/zinc/21/13/13/1123211313.db2.gz XYHRYZXRWFHXGQ-UHFFFAOYSA-N 0 3 291.350 3.735 20 30 CHEDHN Cc1cc(C)cc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000850366458 1123257107 /nfs/dbraw/zinc/25/71/07/1123257107.db2.gz BWEJZTVXKMGBPU-MRXNPFEDSA-N 0 3 294.398 3.884 20 30 CHEDHN C=C1CCN(C/C(C)=C\c2ccccc2COC)CC1 ZINC000508248060 1123272218 /nfs/dbraw/zinc/27/22/18/1123272218.db2.gz KVEGECXUOYMUIX-VBKFSLOCSA-N 0 3 271.404 3.888 20 30 CHEDHN CC[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(C)cc1[O-] ZINC000850489381 1123274533 /nfs/dbraw/zinc/27/45/33/1123274533.db2.gz STFWTBMPVBEDDU-SFHVURJKSA-N 0 3 294.398 3.856 20 30 CHEDHN C=CCCSCCN[C@H](C)c1cccnc1Cl ZINC000850503881 1123276073 /nfs/dbraw/zinc/27/60/73/1123276073.db2.gz OSLGISWXFGZDDK-LLVKDONJSA-N 0 3 270.829 3.695 20 30 CHEDHN C=CCC[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccco1 ZINC000850523181 1123279970 /nfs/dbraw/zinc/27/99/70/1123279970.db2.gz BVWDOUZKUSNNMC-UONOGXRCSA-N 0 3 261.365 3.588 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc2ccccc2n1 ZINC000850742079 1123297905 /nfs/dbraw/zinc/29/79/05/1123297905.db2.gz UWPYVQHCCNZVQS-WCVJEAGWSA-N 0 3 290.366 3.847 20 30 CHEDHN C=CCCCCCN(C)Cc1oc(CC)nc1C ZINC000428246508 1123307169 /nfs/dbraw/zinc/30/71/69/1123307169.db2.gz NYMSTTLRINHJPJ-UHFFFAOYSA-N 0 3 250.386 3.724 20 30 CHEDHN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)cc(Cl)n1 ZINC000852353425 1123402996 /nfs/dbraw/zinc/40/29/96/1123402996.db2.gz GRNFLTOZJJGKIY-UHFFFAOYSA-N 0 3 299.805 3.940 20 30 CHEDHN CC[C@H](NCCC(C)(C)C#N)c1ccccc1OC ZINC000776604639 1123410327 /nfs/dbraw/zinc/41/03/27/1123410327.db2.gz DCODBLSZZBJDEQ-AWEZNQCLSA-N 0 3 260.381 3.676 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2cc3c(cccc3O)s2)C1 ZINC000895228823 1123411701 /nfs/dbraw/zinc/41/17/01/1123411701.db2.gz QVGNPHWNGWPGAN-GFCCVEGCSA-N 0 3 286.400 3.733 20 30 CHEDHN C=CC[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H](C)COC ZINC000853533012 1123443215 /nfs/dbraw/zinc/44/32/15/1123443215.db2.gz SCPOVMZOQHPQPY-AWEZNQCLSA-N 0 3 285.387 3.568 20 30 CHEDHN C=CC[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H](C)COC ZINC000853533012 1123443216 /nfs/dbraw/zinc/44/32/16/1123443216.db2.gz SCPOVMZOQHPQPY-AWEZNQCLSA-N 0 3 285.387 3.568 20 30 CHEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(Cl)n1 ZINC000797604036 1123443993 /nfs/dbraw/zinc/44/39/93/1123443993.db2.gz FBYZOTQMCLETAC-MRXNPFEDSA-N 0 3 297.789 3.692 20 30 CHEDHN CCC[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000194583304 1129136397 /nfs/dbraw/zinc/13/63/97/1129136397.db2.gz SZDUONFDKOXOJC-NWDGAFQWSA-N 0 3 270.332 3.830 20 30 CHEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccns1 ZINC000860060954 1123720750 /nfs/dbraw/zinc/72/07/50/1123720750.db2.gz CILBCWUYHADLCD-LBPRGKRZSA-N 0 3 263.410 3.658 20 30 CHEDHN COc1cc(CNC(C)(C)c2cccc(F)c2)ccc1C#N ZINC000281802488 1123746468 /nfs/dbraw/zinc/74/64/68/1123746468.db2.gz VKZINOWYRREENV-UHFFFAOYSA-N 0 3 298.361 3.731 20 30 CHEDHN C#C[C@@H](N[C@H](C)C1CC(F)(F)C1)c1ccc(F)cc1 ZINC000862373575 1123804291 /nfs/dbraw/zinc/80/42/91/1123804291.db2.gz GJSOHHZTUJKRHW-QMTHXVAHSA-N 0 3 267.294 3.523 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000862444438 1123810961 /nfs/dbraw/zinc/81/09/61/1123810961.db2.gz AHOXEDQQPQEPIN-CQSZACIVSA-N 0 3 282.412 3.655 20 30 CHEDHN C=CC1CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000302168882 1123959780 /nfs/dbraw/zinc/95/97/80/1123959780.db2.gz SWQFSOOOGBGTGH-UHFFFAOYSA-N 0 3 252.361 3.946 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c(F)c1 ZINC000865830327 1124018947 /nfs/dbraw/zinc/01/89/47/1124018947.db2.gz NPCDSBKMQBWROP-TZMCWYRMSA-N 0 3 298.283 3.684 20 30 CHEDHN CC(C)N(Cc1ccc(F)cc1C#N)CC1CCC1 ZINC000444769224 1124061122 /nfs/dbraw/zinc/06/11/22/1124061122.db2.gz AFAUEGSXEVRZSJ-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN CC(C)N(Cc1cc(F)ccc1C#N)CC1CCC1 ZINC000444774395 1124062951 /nfs/dbraw/zinc/06/29/51/1124062951.db2.gz VYURGCZECYVCFC-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCOCCN[C@@H](CCC)c1ccc(F)cc1F ZINC000339076840 1124101604 /nfs/dbraw/zinc/10/16/04/1124101604.db2.gz GXBQMBGNQBORAD-HNNXBMFYSA-N 0 3 269.335 3.598 20 30 CHEDHN CC(C)N(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000446760275 1124122043 /nfs/dbraw/zinc/12/20/43/1124122043.db2.gz SVSFBKOWNSBQPZ-UHFFFAOYSA-N 0 3 297.320 3.810 20 30 CHEDHN C=CCC(CC=C)C(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867988672 1124453173 /nfs/dbraw/zinc/45/31/73/1124453173.db2.gz RONJZOXBYHIUJQ-MRXNPFEDSA-N 0 3 284.403 3.580 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1noc2c1CCCC2 ZINC000449329607 1124691061 /nfs/dbraw/zinc/69/10/61/1124691061.db2.gz OUWYLFQZZQDOLJ-CYBMUJFWSA-N 0 3 262.397 3.778 20 30 CHEDHN C#C[C@H]1CC[C@H](NCc2ncc(C(C)(C)C)s2)CC1 ZINC000873198698 1124751864 /nfs/dbraw/zinc/75/18/64/1124751864.db2.gz WOXFNPGERAVXKW-JOCQHMNTSA-N 0 3 276.449 3.722 20 30 CHEDHN C#C[C@@H](C)N(C)Cc1ccc(-c2scnc2C)cc1 ZINC000825710329 1124813632 /nfs/dbraw/zinc/81/36/32/1124813632.db2.gz MCTYONHZNJKMJN-GFCCVEGCSA-N 0 3 270.401 3.572 20 30 CHEDHN C[C@H]1C[C@H](C(=O)C(C#N)c2ncc(F)cc2F)C[C@@H](C)C1 ZINC001123477175 1131314847 /nfs/dbraw/zinc/31/48/47/1131314847.db2.gz RFBGNAIYYFJCAD-MPPDQPJWSA-N 0 3 292.329 3.608 20 30 CHEDHN CCCCCCCCCCOC(=O)N1CC[C@H]1NC ZINC001239335386 1131319633 /nfs/dbraw/zinc/31/96/33/1131319633.db2.gz PBTNVOMXQGPGQQ-AWEZNQCLSA-N 0 3 270.417 3.515 20 30 CHEDHN N#Cc1cnc(Cl)c(CN2CCC[C@H]2C2CCCC2)c1 ZINC000876632901 1124965584 /nfs/dbraw/zinc/96/55/84/1124965584.db2.gz NWZIDOUZACDGII-HNNXBMFYSA-N 0 3 289.810 3.761 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(C#N)cnc1Cl ZINC000876732870 1124972729 /nfs/dbraw/zinc/97/27/29/1124972729.db2.gz IBYCNIIDJBZMON-ZLDLUXBVSA-N 0 3 289.810 3.760 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H]2c2cccs2)c1 ZINC000016340788 1124973003 /nfs/dbraw/zinc/97/30/03/1124973003.db2.gz LCIUGPCPFIQBPB-HNNXBMFYSA-N 0 3 268.385 3.957 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)cnc2Cl)[C@H]2CCCC[C@@H]12 ZINC000877193972 1125019360 /nfs/dbraw/zinc/01/93/60/1125019360.db2.gz VWYVYUWSQOGGOR-UGFHNGPFSA-N 0 3 289.810 3.617 20 30 CHEDHN C[C@@H](CCc1cncc2ccccc21)NCC(C)(C)C#N ZINC000877323507 1125022523 /nfs/dbraw/zinc/02/25/23/1125022523.db2.gz QNKMVGUPFWKSHW-AWEZNQCLSA-N 0 3 281.403 3.695 20 30 CHEDHN C#CCCCCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000877515596 1125038798 /nfs/dbraw/zinc/03/87/98/1125038798.db2.gz JVTOHIKZCZYPGA-MRXNPFEDSA-N 0 3 259.397 3.520 20 30 CHEDHN C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877756551 1125075143 /nfs/dbraw/zinc/07/51/43/1125075143.db2.gz QXJMYXKETRJYAE-ZIAGYGMSSA-N 0 3 296.370 3.534 20 30 CHEDHN C#CCCCCCCNCc1nc(-c2ccncc2)cs1 ZINC000877808584 1125082784 /nfs/dbraw/zinc/08/27/84/1125082784.db2.gz PBTIQOXFGXHZKS-UHFFFAOYSA-N 0 3 299.443 3.878 20 30 CHEDHN N#CC1(CNC2(Cc3ccccc3)CCCC2)CCC1 ZINC000450748807 1125096747 /nfs/dbraw/zinc/09/67/47/1125096747.db2.gz XJVZEJILOLPUMW-UHFFFAOYSA-N 0 3 268.404 3.825 20 30 CHEDHN CC[C@@]1(C)CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878188827 1125128569 /nfs/dbraw/zinc/12/85/69/1125128569.db2.gz UUKWTCMLNURIGD-OALUTQOASA-N 0 3 298.430 3.549 20 30 CHEDHN CC[C@@]1(C)CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878188828 1125128627 /nfs/dbraw/zinc/12/86/27/1125128627.db2.gz UUKWTCMLNURIGD-RBUKOAKNSA-N 0 3 298.430 3.549 20 30 CHEDHN C#CCCCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000878204498 1125130763 /nfs/dbraw/zinc/13/07/63/1125130763.db2.gz QOZOWPBLWAPEIQ-LJQANCHMSA-N 0 3 278.399 3.954 20 30 CHEDHN C#CCCCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000878204497 1125130793 /nfs/dbraw/zinc/13/07/93/1125130793.db2.gz QOZOWPBLWAPEIQ-IBGZPJMESA-N 0 3 278.399 3.954 20 30 CHEDHN CC(=O)[C@@](C#N)(CCN1CC(C)(C)C[C@H]1C)c1ccccc1 ZINC000878712520 1125175532 /nfs/dbraw/zinc/17/55/32/1125175532.db2.gz YYCOEHCBSDHFQA-BEFAXECRSA-N 0 3 298.430 3.547 20 30 CHEDHN C=C(Br)CNC1CC(c2ccccc2C)C1 ZINC000127474518 1125191694 /nfs/dbraw/zinc/19/16/94/1125191694.db2.gz JUSZOBVFCIFPMQ-UHFFFAOYSA-N 0 3 280.209 3.739 20 30 CHEDHN C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccccc1[O-] ZINC000879649346 1125222338 /nfs/dbraw/zinc/22/23/38/1125222338.db2.gz OFABTRVIFLRQCN-CQSZACIVSA-N 0 3 272.392 3.907 20 30 CHEDHN Fc1ccc(C#CCN[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000879670947 1125224411 /nfs/dbraw/zinc/22/44/11/1125224411.db2.gz FUKZOYRFLWHYEL-HUUCEWRRSA-N 0 3 297.295 3.664 20 30 CHEDHN Cc1cncc([C@@H]2CCCN2Cc2ccc(CC#N)cc2)c1 ZINC000879749752 1125229923 /nfs/dbraw/zinc/22/99/23/1125229923.db2.gz KZPMMHLKDFWJLR-IBGZPJMESA-N 0 3 291.398 3.793 20 30 CHEDHN Cc1cncc([C@@H]2CCCN2Cc2ccc(C#N)cc2C)c1 ZINC000879750738 1125231637 /nfs/dbraw/zinc/23/16/37/1125231637.db2.gz ZADUEGIHNHWRMN-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN C[C@@]1(c2ccccc2)CCCN1Cc1ccc(C#N)o1 ZINC000880371655 1125268960 /nfs/dbraw/zinc/26/89/60/1125268960.db2.gz NCADAHCPQLHRJW-KRWDZBQOSA-N 0 3 266.344 3.662 20 30 CHEDHN C=C(C)CNN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841639539 1125337009 /nfs/dbraw/zinc/33/70/09/1125337009.db2.gz SONVTWLDWSVLIE-GOSISDBHSA-N 0 3 283.419 3.508 20 30 CHEDHN C=C(CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000610420469 1125343176 /nfs/dbraw/zinc/34/31/76/1125343176.db2.gz QHBQRNDCXKFAOW-CQSZACIVSA-N 0 3 282.343 3.959 20 30 CHEDHN C=CCCC[C@@H](NCc1cncnc1)c1ccccc1 ZINC000883325206 1125396850 /nfs/dbraw/zinc/39/68/50/1125396850.db2.gz SCUQREHIBWUBSM-QGZVFWFLSA-N 0 3 267.376 3.664 20 30 CHEDHN C=CCCCCCC[C@@H](O)CNCc1ccncc1Cl ZINC001253255930 1125430780 /nfs/dbraw/zinc/43/07/80/1125430780.db2.gz OYPSNEMPDWKFOY-OAHLLOKOSA-N 0 3 296.842 3.712 20 30 CHEDHN COc1ccc2cc(CN3CCC(C#N)CC3)ccc2c1 ZINC000123675866 1125431740 /nfs/dbraw/zinc/43/17/40/1125431740.db2.gz DCVUWUXVACNQMI-UHFFFAOYSA-N 0 3 280.371 3.584 20 30 CHEDHN N#CCCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108385817 1125454200 /nfs/dbraw/zinc/45/42/00/1125454200.db2.gz SMKWBFXVQSGYEW-KRWDZBQOSA-N 0 3 267.376 3.999 20 30 CHEDHN C=CC[C@@H](NCC1=Cc2ccccc2OC1)c1ccncc1 ZINC000734510808 1129311586 /nfs/dbraw/zinc/31/15/86/1129311586.db2.gz ZPEVBULKOOKXPE-GOSISDBHSA-N 0 3 292.382 3.764 20 30 CHEDHN C=CC[C@H](CC)NCc1nc(C)c(Br)s1 ZINC000719231089 1129322912 /nfs/dbraw/zinc/32/29/12/1129322912.db2.gz OCQPGXFEMLUKMK-VIFPVBQESA-N 0 3 289.242 3.658 20 30 CHEDHN CC(C)[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735310196 1129339902 /nfs/dbraw/zinc/33/99/02/1129339902.db2.gz SXQKGIGFKIYTHV-HNNXBMFYSA-N 0 3 292.810 3.863 20 30 CHEDHN C=CCCC[C@@H](C)n1cc(CNC2CCCCC2)nn1 ZINC000641235199 1129376810 /nfs/dbraw/zinc/37/68/10/1129376810.db2.gz MZUOGVSPXOJOIN-CQSZACIVSA-N 0 3 276.428 3.618 20 30 CHEDHN C=CCCC[C@H](C)n1cc(CNC2CCCCC2)nn1 ZINC000641235198 1129377005 /nfs/dbraw/zinc/37/70/05/1129377005.db2.gz MZUOGVSPXOJOIN-AWEZNQCLSA-N 0 3 276.428 3.618 20 30 CHEDHN CCCCCCCCN1CCN(Cc2cscn2)CC1 ZINC000740875375 1129421603 /nfs/dbraw/zinc/42/16/03/1129421603.db2.gz WNQBIUIZQSAOSN-UHFFFAOYSA-N 0 3 295.496 3.621 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)c2ccncc2)cc1 ZINC000248699128 1129425939 /nfs/dbraw/zinc/42/59/39/1129425939.db2.gz ZHLJWWOKKBTCDM-HUUCEWRRSA-N 0 3 295.386 3.565 20 30 CHEDHN C[C@H](c1ccncc1)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000248699131 1129426096 /nfs/dbraw/zinc/42/60/96/1129426096.db2.gz ZHLJWWOKKBTCDM-LSDHHAIUSA-N 0 3 295.386 3.565 20 30 CHEDHN C[C@@H](Cc1ccsc1)N(C)Cc1cc(C#N)cs1 ZINC000093705843 1129426941 /nfs/dbraw/zinc/42/69/41/1129426941.db2.gz SAXXIVBQFBTJGR-NSHDSACASA-N 0 3 276.430 3.744 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000795778420 1129447804 /nfs/dbraw/zinc/44/78/04/1129447804.db2.gz OJTPKRSLADOMMC-GOSISDBHSA-N 0 3 277.371 3.584 20 30 CHEDHN COc1ccc(CNCc2coc3ccccc23)cc1C#N ZINC000742371407 1129475595 /nfs/dbraw/zinc/47/55/95/1129475595.db2.gz VRBDVWMWPDXIPF-UHFFFAOYSA-N 0 3 292.338 3.603 20 30 CHEDHN CCN(CC)Cc1cccc(-c2ccnc(C#N)c2)c1F ZINC001241199795 1129480137 /nfs/dbraw/zinc/48/01/37/1129480137.db2.gz ABFCBRCPNNNZIA-UHFFFAOYSA-N 0 3 283.350 3.601 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccco1 ZINC000744016679 1129545565 /nfs/dbraw/zinc/54/55/65/1129545565.db2.gz RBWSVLIPARQKAN-MNOVXSKESA-N 0 3 296.351 3.869 20 30 CHEDHN C=CCCOCCN[C@@H]1CCSc2c(F)cccc21 ZINC000181766631 1129587526 /nfs/dbraw/zinc/58/75/26/1129587526.db2.gz LISOCYOKAUOYOW-CQSZACIVSA-N 0 3 281.396 3.545 20 30 CHEDHN Cc1cccc([C@H]2CCN(CC#Cc3ccc(F)cc3)C2)c1 ZINC001169206256 1129707492 /nfs/dbraw/zinc/70/74/92/1129707492.db2.gz FKDPDPDOIGZGCQ-IBGZPJMESA-N 0 3 293.385 3.975 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2ncc(CC)s2)C1 ZINC000651726773 1129746326 /nfs/dbraw/zinc/74/63/26/1129746326.db2.gz ZCHMXKYIHUHNTJ-VXGBXAGGSA-N 0 3 250.411 3.540 20 30 CHEDHN C=CC[C@H]1CC[C@H](NCc2nc(C3CC3)cs2)C1 ZINC000651739337 1129746696 /nfs/dbraw/zinc/74/66/96/1129746696.db2.gz RPJPHHOMCIOUHC-AAEUAGOBSA-N 0 3 262.422 3.855 20 30 CHEDHN Cc1cccc(C[C@@H](NCC2(C#N)CCC2)C2CC2)c1 ZINC000828802881 1131400678 /nfs/dbraw/zinc/40/06/78/1131400678.db2.gz SUDOQMDFNQEOEM-QGZVFWFLSA-N 0 3 268.404 3.600 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2cccs2)cc1 ZINC000768161287 1129838432 /nfs/dbraw/zinc/83/84/32/1129838432.db2.gz VQNXAFNDHDDHGA-CYBMUJFWSA-N 0 3 286.400 3.671 20 30 CHEDHN C=C(Cl)CNCCCc1c(F)cccc1Cl ZINC000381854574 1129852972 /nfs/dbraw/zinc/85/29/72/1129852972.db2.gz ULCWRRQURVQBIF-UHFFFAOYSA-N 0 3 262.155 3.754 20 30 CHEDHN CCCC[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000800387657 1129869105 /nfs/dbraw/zinc/86/91/05/1129869105.db2.gz QPNSZHYRVCAAKO-RYUDHWBXSA-N 0 3 270.332 3.830 20 30 CHEDHN C=CC[C@H]1N(Cc2c(C)nn(C)c2Cl)CCCC1(C)C ZINC000769953925 1129931545 /nfs/dbraw/zinc/93/15/45/1129931545.db2.gz PRLFLXVYDKPUBY-CQSZACIVSA-N 0 3 295.858 3.949 20 30 CHEDHN C=CC[C@@H](NCc1cc(C)ccc1NC)c1ccncc1 ZINC000902244258 1129993170 /nfs/dbraw/zinc/99/31/70/1129993170.db2.gz GHMIFLCTLNZUSV-GOSISDBHSA-N 0 3 281.403 3.839 20 30 CHEDHN C=CC[C@H](NCc1cc(C)ccc1NC)c1ccncc1 ZINC000902244259 1129993358 /nfs/dbraw/zinc/99/33/58/1129993358.db2.gz GHMIFLCTLNZUSV-SFHVURJKSA-N 0 3 281.403 3.839 20 30 CHEDHN C#CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2ccccc21 ZINC000772600749 1130033345 /nfs/dbraw/zinc/03/33/45/1130033345.db2.gz YOPFHSKQUFKXGT-SFHVURJKSA-N 0 3 277.367 3.515 20 30 CHEDHN C#CC[N@H+](Cc1ccccc1[O-])[C@H]1CCc2ccccc21 ZINC000772600749 1130033351 /nfs/dbraw/zinc/03/33/51/1130033351.db2.gz YOPFHSKQUFKXGT-SFHVURJKSA-N 0 3 277.367 3.515 20 30 CHEDHN CC[C@H](N[C@H]1CCc2c1cccc2O)c1cccc(C#N)c1 ZINC000902794719 1130059054 /nfs/dbraw/zinc/05/90/54/1130059054.db2.gz YLAMEEQVOOYQMH-ROUUACIJSA-N 0 3 292.382 3.992 20 30 CHEDHN CC[C@H](N[C@H](C)c1ccc[nH]1)c1cccc(C#N)c1 ZINC000902889226 1130078791 /nfs/dbraw/zinc/07/87/91/1130078791.db2.gz FBIZCFLJPWNJLO-DOMZBBRYSA-N 0 3 253.349 3.688 20 30 CHEDHN CC[C@@H](NCc1cncc(C)c1)c1cccc(C#N)c1 ZINC000902890009 1130078999 /nfs/dbraw/zinc/07/89/99/1130078999.db2.gz VKWMJPLYOVJWIT-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN C=CCC[C@@H](NCc1ncccc1F)[C@@]1(C)CCCCO1 ZINC000902885423 1130079387 /nfs/dbraw/zinc/07/93/87/1130079387.db2.gz ADQBTCVAVPNKOG-IAGOWNOFSA-N 0 3 292.398 3.604 20 30 CHEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@H]1C)c1cc(C#N)ccn1 ZINC000902890307 1130080007 /nfs/dbraw/zinc/08/00/07/1130080007.db2.gz ZMTRYXLZKIGSGA-TYILLQQXSA-N 0 3 291.398 3.927 20 30 CHEDHN C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc2ccccc2c1[O-] ZINC000903033466 1130103038 /nfs/dbraw/zinc/10/30/38/1130103038.db2.gz UUCDJXYJJKNYTE-ZDUSSCGKSA-N 0 3 280.371 3.890 20 30 CHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000787025374 1130125955 /nfs/dbraw/zinc/12/59/55/1130125955.db2.gz GGRPXYJDUAXLHN-BZNIZROVSA-N 0 3 297.789 3.945 20 30 CHEDHN N#Cc1c(F)cc(-c2ccc3c(N)ccnc3c2)cc1F ZINC001239930786 1130156417 /nfs/dbraw/zinc/15/64/17/1130156417.db2.gz ISHUCVXICUBIHD-UHFFFAOYSA-N 0 3 281.265 3.634 20 30 CHEDHN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1 ZINC000903428222 1130176120 /nfs/dbraw/zinc/17/61/20/1130176120.db2.gz NNPXAJROWOKJBR-ACJLOTCBSA-N 0 3 277.371 3.755 20 30 CHEDHN N#CCC1CN(Cc2ccccc2-c2ccccc2)C1 ZINC000826991267 1130330749 /nfs/dbraw/zinc/33/07/49/1130330749.db2.gz XXEDEKBGBHZQFV-UHFFFAOYSA-N 0 3 262.356 3.699 20 30 CHEDHN C=CCC[C@@H](O)CN(Cc1ccccc1Cl)CC1CC1 ZINC001170193980 1130456371 /nfs/dbraw/zinc/45/63/71/1130456371.db2.gz JATPOKIWTHOPEF-MRXNPFEDSA-N 0 3 293.838 3.879 20 30 CHEDHN CC[C@H](CC#N)NCC1(Cc2ccc(F)cc2)CCC1 ZINC001255163510 1130528557 /nfs/dbraw/zinc/52/85/57/1130528557.db2.gz GNGKXKCKRQVEQY-MRXNPFEDSA-N 0 3 274.383 3.820 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1nnc2n1CCCCC2 ZINC000793517374 1130561470 /nfs/dbraw/zinc/56/14/70/1130561470.db2.gz NAGXBXSJZMMQBL-HNNXBMFYSA-N 0 3 290.455 3.619 20 30 CHEDHN CC[C@@]1(C)CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000758398158 1130609716 /nfs/dbraw/zinc/60/97/16/1130609716.db2.gz ULACJKKNJRILIL-SFHVURJKSA-N 0 3 294.402 3.501 20 30 CHEDHN C#C[C@H](C)N(C)C/C(C)=C/c1ccccc1OC(F)F ZINC000811495966 1130612860 /nfs/dbraw/zinc/61/28/60/1130612860.db2.gz NHEZQELITFQUKD-XSNHNAGMSA-N 0 3 279.330 3.645 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235039866 1130704172 /nfs/dbraw/zinc/70/41/72/1130704172.db2.gz RCPHRQDRVDMGOQ-AWEZNQCLSA-N 0 3 297.377 3.946 20 30 CHEDHN C[C@@H](NCCSC(C)(C)C)c1ccc(C#N)cc1F ZINC000781424239 1130717275 /nfs/dbraw/zinc/71/72/75/1130717275.db2.gz WBFJWQOKLFNGOA-LLVKDONJSA-N 0 3 280.412 3.880 20 30 CHEDHN CCCCCCCCN(C)Cc1c(C)ncn1C ZINC001235543132 1130754981 /nfs/dbraw/zinc/75/49/81/1130754981.db2.gz LPTKHPFCEINUCE-UHFFFAOYSA-N 0 3 251.418 3.521 20 30 CHEDHN CC(C)CN(CCC#N)C[C@@H]1CCc2ccccc2C1 ZINC000782042868 1130753587 /nfs/dbraw/zinc/75/35/87/1130753587.db2.gz SVQYJASDXIZHMJ-MRXNPFEDSA-N 0 3 270.420 3.663 20 30 CHEDHN CN(CCC#N)c1ccc(C=NN[C@H]2CCCC2(C)C)cc1 ZINC000782289358 1130769875 /nfs/dbraw/zinc/76/98/75/1130769875.db2.gz WUBUABJTKKZRKD-KRWDZBQOSA-N 0 3 298.434 3.539 20 30 CHEDHN N#CCOc1ccc(Nc2ccnc(C3CC3)c2)cc1 ZINC001212607369 1130798654 /nfs/dbraw/zinc/79/86/54/1130798654.db2.gz ZKYJTEASCYYFBF-UHFFFAOYSA-N 0 3 265.316 3.605 20 30 CHEDHN C#CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000783525179 1130834285 /nfs/dbraw/zinc/83/42/85/1130834285.db2.gz LOTQICUBKWIELG-PBHICJAKSA-N 0 3 265.356 3.807 20 30 CHEDHN CC[C@H]1CCC[C@@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000783821356 1130855932 /nfs/dbraw/zinc/85/59/32/1130855932.db2.gz MLJZEDVLSDBSDI-LSDHHAIUSA-N 0 3 282.391 3.995 20 30 CHEDHN N#Cc1ccnc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001236231804 1130898760 /nfs/dbraw/zinc/89/87/60/1130898760.db2.gz DRZKFMHUPIYHCL-UHFFFAOYSA-N 0 3 295.361 3.745 20 30 CHEDHN c1cc2c3c(c1)C(=NNC1CCCCC1)CC[C@H]3CN2 ZINC000814910114 1130935619 /nfs/dbraw/zinc/93/56/19/1130935619.db2.gz QYNWMJFMQKZEMN-LBPRGKRZSA-N 0 3 269.392 3.616 20 30 CHEDHN C=CCN(Cc1cnc(OCC)c(F)c1)C1CCCCC1 ZINC001236696787 1130996021 /nfs/dbraw/zinc/99/60/21/1130996021.db2.gz LHGCGICPIFGSCF-UHFFFAOYSA-N 0 3 292.398 3.940 20 30 CHEDHN Cc1cc(F)ccc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000815591865 1131006010 /nfs/dbraw/zinc/00/60/10/1131006010.db2.gz SNZHIPUMBSEMOI-AWEZNQCLSA-N 0 3 298.361 3.887 20 30 CHEDHN Cn1cc(CN2CC[C@@H]3CCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237468457 1131102529 /nfs/dbraw/zinc/10/25/29/1131102529.db2.gz NAAQYJRNMFZMLS-JKSUJKDBSA-N 0 3 293.414 3.672 20 30 CHEDHN COc1cccc2c1CCC[C@@H]2NCc1ccc(C#N)cc1 ZINC000799715484 1131104229 /nfs/dbraw/zinc/10/42/29/1131104229.db2.gz QVATYSDWSLFRCD-SFHVURJKSA-N 0 3 292.382 3.734 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237547240 1131114384 /nfs/dbraw/zinc/11/43/84/1131114384.db2.gz RGMQTJSLZUELBS-MRXNPFEDSA-N 0 3 291.398 3.874 20 30 CHEDHN C#CCN(C)Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001237667081 1131127204 /nfs/dbraw/zinc/12/72/04/1131127204.db2.gz GQYHARFYZWMCPW-UHFFFAOYSA-N 0 3 271.310 3.697 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC001237752259 1131138844 /nfs/dbraw/zinc/13/88/44/1131138844.db2.gz UFADGCIJVPEDIK-GDBMZVCRSA-N 0 3 274.795 3.976 20 30 CHEDHN C=C(C)CN(CC)Cc1[nH]nc2cc(Cl)ccc21 ZINC001238001759 1131159518 /nfs/dbraw/zinc/15/95/18/1131159518.db2.gz XHSFVZWXHKHCPD-UHFFFAOYSA-N 0 3 263.772 3.614 20 30 CHEDHN COC1([C@H](C)NCc2cc(C#N)ccc2F)CCCCC1 ZINC000817581679 1131173123 /nfs/dbraw/zinc/17/31/23/1131173123.db2.gz RJQTZQDWBDQARD-ZDUSSCGKSA-N 0 3 290.382 3.525 20 30 CHEDHN C[C@@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)[C@H]1C ZINC001238193512 1131179505 /nfs/dbraw/zinc/17/95/05/1131179505.db2.gz DYXMXSLUGCZWGF-NEPJUHHUSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)C(C)(C)C ZINC000823618183 1131434598 /nfs/dbraw/zinc/43/45/98/1131434598.db2.gz PAPIRRYMBNUBCM-CYBMUJFWSA-N 0 3 272.392 3.556 20 30 CHEDHN C#CCN(C)Cc1ccc(N(C)c2ccc(OC)cc2)cc1 ZINC001137915341 1131434986 /nfs/dbraw/zinc/43/49/86/1131434986.db2.gz KUZPSRPFQCTGDH-UHFFFAOYSA-N 0 3 294.398 3.528 20 30 CHEDHN CC1(C#N)CCN([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171051432 1131460818 /nfs/dbraw/zinc/46/08/18/1131460818.db2.gz VVPVWUXCCOTRNL-AWEZNQCLSA-N 0 3 288.822 3.823 20 30 CHEDHN C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1[O-] ZINC000824592032 1131476040 /nfs/dbraw/zinc/47/60/40/1131476040.db2.gz CMZQGCBXILGOAS-UHFFFAOYSA-N 0 3 292.382 3.579 20 30 CHEDHN C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1[O-] ZINC000824592032 1131476042 /nfs/dbraw/zinc/47/60/42/1131476042.db2.gz CMZQGCBXILGOAS-UHFFFAOYSA-N 0 3 292.382 3.579 20 30 CHEDHN Cc1c(CN2CCC[C@H](C#N)CC2)[nH]c2ccc(F)cc12 ZINC001138413478 1131501816 /nfs/dbraw/zinc/50/18/16/1131501816.db2.gz UFYOFGDZOLZUKE-ZDUSSCGKSA-N 0 3 285.366 3.741 20 30 CHEDHN Cc1c2ccccc2sc1CN1CCC(C#N)CC1 ZINC001138459487 1131508087 /nfs/dbraw/zinc/50/80/87/1131508087.db2.gz UBGCJPCMSUPFTG-UHFFFAOYSA-N 0 3 270.401 3.945 20 30 CHEDHN C#CCOc1ccc(CN2Cc3ccccc3C[C@H]2C)cc1 ZINC001138560394 1131521570 /nfs/dbraw/zinc/52/15/70/1131521570.db2.gz VBROUZXZANUIDL-MRXNPFEDSA-N 0 3 291.394 3.645 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1[O-] ZINC001138626088 1131527903 /nfs/dbraw/zinc/52/79/03/1131527903.db2.gz ZZYZTQPFPCVUPS-GDBMZVCRSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1[O-] ZINC001138626088 1131527906 /nfs/dbraw/zinc/52/79/06/1131527906.db2.gz ZZYZTQPFPCVUPS-GDBMZVCRSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c1[O-] ZINC001138628676 1131529121 /nfs/dbraw/zinc/52/91/21/1131529121.db2.gz ZLPALQUIWWOXMB-KGLIPLIRSA-N 0 3 259.393 3.741 20 30 CHEDHN C=CCc1cccc(CN(C)Cc2ccccc2OC)c1O ZINC001138629274 1131529206 /nfs/dbraw/zinc/52/92/06/1131529206.db2.gz STJJFEXUUMYYCD-UHFFFAOYSA-N 0 3 297.398 3.761 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccccc2OC)c1[O-] ZINC001138629274 1131529208 /nfs/dbraw/zinc/52/92/08/1131529208.db2.gz STJJFEXUUMYYCD-UHFFFAOYSA-N 0 3 297.398 3.761 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)Cc2ccccc2OC)c1[O-] ZINC001138629274 1131529212 /nfs/dbraw/zinc/52/92/12/1131529212.db2.gz STJJFEXUUMYYCD-UHFFFAOYSA-N 0 3 297.398 3.761 20 30 CHEDHN C=CCc1cccc(C[NH+]2CC3CCC(CC3)C2)c1[O-] ZINC001138629518 1131529486 /nfs/dbraw/zinc/52/94/86/1131529486.db2.gz BRGCVFORWOYOOO-UHFFFAOYSA-N 0 3 271.404 3.743 20 30 CHEDHN C=CCc1cccc(C[NH+]2CCC(OC(C)C)CC2)c1[O-] ZINC001138629338 1131529825 /nfs/dbraw/zinc/52/98/25/1131529825.db2.gz VEUNAOAXEKGJLD-UHFFFAOYSA-N 0 3 289.419 3.510 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)Cc2cccs2)c1[O-] ZINC001138629326 1131530261 /nfs/dbraw/zinc/53/02/61/1131530261.db2.gz UWBKLKXRYCVOHE-UHFFFAOYSA-N 0 3 273.401 3.814 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)Cc2cccs2)c1[O-] ZINC001138629326 1131530263 /nfs/dbraw/zinc/53/02/63/1131530263.db2.gz UWBKLKXRYCVOHE-UHFFFAOYSA-N 0 3 273.401 3.814 20 30 CHEDHN C=C(C)COc1ccccc1CN1CC[C@H](OCCC)C1 ZINC001138664030 1131533899 /nfs/dbraw/zinc/53/38/99/1131533899.db2.gz HMSIVXXLDGRLOP-KRWDZBQOSA-N 0 3 289.419 3.642 20 30 CHEDHN C#CC1CCN(Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001138836363 1131555295 /nfs/dbraw/zinc/55/52/95/1131555295.db2.gz IYDHERYGXKVPHN-UHFFFAOYSA-N 0 3 272.779 3.667 20 30 CHEDHN CC(C)COc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001138970176 1131567996 /nfs/dbraw/zinc/56/79/96/1131567996.db2.gz NFFIPLKZJSHLPZ-NNZMDNLPSA-N 0 3 298.430 3.988 20 30 CHEDHN CCCOc1ccccc1CN1CCC(CC#N)CC1 ZINC001139001972 1131570932 /nfs/dbraw/zinc/57/09/32/1131570932.db2.gz OJCTXMBAUYYSJF-UHFFFAOYSA-N 0 3 272.392 3.601 20 30 CHEDHN CC[C@@H](c1ccccc1)N(C)Cc1cncc(C#N)c1 ZINC001144083697 1131581561 /nfs/dbraw/zinc/58/15/61/1131581561.db2.gz PDGXKSKNVVUASA-KRWDZBQOSA-N 0 3 265.360 3.536 20 30 CHEDHN Cc1cccc2[nH]cc(CN(C)Cc3cccc(C#N)c3)c21 ZINC001139199410 1131594979 /nfs/dbraw/zinc/59/49/79/1131594979.db2.gz OYITWQJJPGTIRM-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN C=CCN(C)Cc1cc2ccc(Br)cc2[nH]1 ZINC001139475009 1131610958 /nfs/dbraw/zinc/61/09/58/1131610958.db2.gz XAPFQLPECOLCFS-UHFFFAOYSA-N 0 3 279.181 3.548 20 30 CHEDHN C[C@H]1CCCN(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001139646829 1131626505 /nfs/dbraw/zinc/62/65/05/1131626505.db2.gz OQEGNOOHKLNBGX-QWHCGFSZSA-N 0 3 260.356 3.565 20 30 CHEDHN Cc1ccc(CN2CCCc3ccccc3C2)cc1C#N ZINC001139726626 1131632606 /nfs/dbraw/zinc/63/26/06/1131632606.db2.gz WSMLYSLJOZAUBA-UHFFFAOYSA-N 0 3 276.383 3.815 20 30 CHEDHN Cc1nc([C@H](C)N[C@@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171181358 1131633640 /nfs/dbraw/zinc/63/36/40/1131633640.db2.gz KCHKEKUFUCKCBG-RYUDHWBXSA-N 0 3 285.416 3.605 20 30 CHEDHN C=CCn1cc(CN(Cc2ccccc2)CC(C)C)cn1 ZINC001139765261 1131635650 /nfs/dbraw/zinc/63/56/50/1131635650.db2.gz AEGHBHXZFGMPCN-UHFFFAOYSA-N 0 3 283.419 3.727 20 30 CHEDHN C=CCn1cc(CN(C)[C@@H](CC)c2ccccc2)cn1 ZINC001139772870 1131636340 /nfs/dbraw/zinc/63/63/40/1131636340.db2.gz RPGKVTVRVLWJNN-KRWDZBQOSA-N 0 3 269.392 3.652 20 30 CHEDHN COc1cccc(NC(=N)c2ccc3cc(O)ccc3c2)c1 ZINC001171185575 1131639058 /nfs/dbraw/zinc/63/90/58/1131639058.db2.gz ZRXFMGUGIJBEBK-UHFFFAOYSA-N 0 3 292.338 3.591 20 30 CHEDHN Cc1ccc(CN2CCC(C#Cc3ccccc3)CC2)cn1 ZINC001139934695 1131651309 /nfs/dbraw/zinc/65/13/09/1131651309.db2.gz XBJLYZSDOFETJE-UHFFFAOYSA-N 0 3 290.410 3.654 20 30 CHEDHN C#Cc1ccc(CN2CCc3ccccc3[C@H]2C)cc1 ZINC001144567797 1131660883 /nfs/dbraw/zinc/66/08/83/1131660883.db2.gz CHWHPIXSDATBIH-OAHLLOKOSA-N 0 3 261.368 3.787 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2cccc(-c3nccs3)c2)CC1 ZINC001140337185 1131702606 /nfs/dbraw/zinc/70/26/06/1131702606.db2.gz GGVHIXYLCAHXCR-CQSZACIVSA-N 0 3 297.427 3.936 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2n[nH]cc2c1 ZINC001140387126 1131710978 /nfs/dbraw/zinc/71/09/78/1131710978.db2.gz APMKWBZHWAWEKT-UHFFFAOYSA-N 0 3 277.371 3.751 20 30 CHEDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)Cc1cccc(C#N)c1 ZINC001171231000 1131713556 /nfs/dbraw/zinc/71/35/56/1131713556.db2.gz ZPJIPBHFIXRGOT-OAHLLOKOSA-N 0 3 294.398 3.717 20 30 CHEDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)Cc1cccc(C#N)c1 ZINC001171231000 1131713559 /nfs/dbraw/zinc/71/35/59/1131713559.db2.gz ZPJIPBHFIXRGOT-OAHLLOKOSA-N 0 3 294.398 3.717 20 30 CHEDHN C=C(C)CCN[C@H](C)c1cc(Br)ncc1F ZINC000834881602 1131716726 /nfs/dbraw/zinc/71/67/26/1131716726.db2.gz BKGYPDWQTPJHTQ-SECBINFHSA-N 0 3 287.176 3.600 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1nc(Br)cs1 ZINC000834882100 1131717948 /nfs/dbraw/zinc/71/79/48/1131717948.db2.gz FPDODICPFHJLEV-QMMMGPOBSA-N 0 3 275.215 3.522 20 30 CHEDHN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077685 1131770109 /nfs/dbraw/zinc/77/01/09/1131770109.db2.gz VSWICFMOZHRSAQ-AGIUHOORSA-N 0 3 282.343 3.830 20 30 CHEDHN C=CCN(Cc1ccnn1-c1ccccc1)C(C)(C)C ZINC001140530998 1131780216 /nfs/dbraw/zinc/78/02/16/1131780216.db2.gz IQXRRBVVABMZHL-UHFFFAOYSA-N 0 3 269.392 3.659 20 30 CHEDHN CCCCCCCCCC(=O)N(CC)[C@H]1CCN(C)C1 ZINC001147112376 1131810602 /nfs/dbraw/zinc/81/06/02/1131810602.db2.gz VKNVLXCGQQHDBH-INIZCTEOSA-N 0 3 282.472 3.680 20 30 CHEDHN C[C@@H]1CCCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140600497 1131820426 /nfs/dbraw/zinc/82/04/26/1131820426.db2.gz LWWGPARHRRKVSP-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN COCC[C@H]1CCCCN1Cc1cc(C#N)ccc1Cl ZINC001140601259 1131820512 /nfs/dbraw/zinc/82/05/12/1131820512.db2.gz KKXYAYGNRQKILE-OAHLLOKOSA-N 0 3 292.810 3.603 20 30 CHEDHN CN(Cc1cc(F)c(C#N)c(F)c1)[C@@H]1CCc2ccccc21 ZINC001140755855 1131908135 /nfs/dbraw/zinc/90/81/35/1131908135.db2.gz VVHAWSDSAMIAPK-GOSISDBHSA-N 0 3 298.336 3.956 20 30 CHEDHN CC(C)N(Cc1cccc(C#N)c1Cl)CC1CC1 ZINC001140811362 1131931899 /nfs/dbraw/zinc/93/18/99/1131931899.db2.gz QDELGAUWCYWPNY-UHFFFAOYSA-N 0 3 262.784 3.832 20 30 CHEDHN N#Cc1cccc(CN2CC3CCC(CC3)C2)c1Cl ZINC001140813082 1131934623 /nfs/dbraw/zinc/93/46/23/1131934623.db2.gz WFHROEWQPGYOKQ-UHFFFAOYSA-N 0 3 274.795 3.834 20 30 CHEDHN C#C[C@H](CCCCC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228936818 1131980674 /nfs/dbraw/zinc/98/06/74/1131980674.db2.gz NTIQJPYLTDMUAS-QGZVFWFLSA-N 0 3 271.404 3.635 20 30 CHEDHN C=C[C@@H](Oc1ccc2c(c1)CCN(C)C2)c1ccccc1 ZINC001228943284 1131983781 /nfs/dbraw/zinc/98/37/81/1131983781.db2.gz DXBHJOADRTYGNM-LJQANCHMSA-N 0 3 279.383 3.981 20 30 CHEDHN Cc1ccc(CC[C@H](C)N2CC[C@@](C)(C#N)C2)cc1 ZINC001171681381 1132080002 /nfs/dbraw/zinc/08/00/02/1132080002.db2.gz GALZCEGAXHUIOK-RDJZCZTQSA-N 0 3 256.393 3.552 20 30 CHEDHN CC(C)C[C@](C)(C#N)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171741438 1132097891 /nfs/dbraw/zinc/09/78/91/1132097891.db2.gz PNQZTMVZCLENJF-NZSAHSFTSA-N 0 3 299.462 3.567 20 30 CHEDHN CN(C)Cc1ccccc1O[C@@H](CC#N)c1ccccc1 ZINC001229700394 1132107717 /nfs/dbraw/zinc/10/77/17/1132107717.db2.gz AFQUKDWHZFUWBH-SFHVURJKSA-N 0 3 280.371 3.782 20 30 CHEDHN Cc1cc([C@@H]2CCCN2[C@H](C)Cc2ccc(C#N)cc2)no1 ZINC001172307593 1132153270 /nfs/dbraw/zinc/15/32/70/1132153270.db2.gz GQHPKUPTYJSHCR-ACJLOTCBSA-N 0 3 295.386 3.623 20 30 CHEDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccc(C#N)cc1 ZINC001172309846 1132155141 /nfs/dbraw/zinc/15/51/41/1132155141.db2.gz CMJXPJHURHUNEH-OAHLLOKOSA-N 0 3 294.398 3.717 20 30 CHEDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccc(C#N)cc1 ZINC001172309846 1132155144 /nfs/dbraw/zinc/15/51/44/1132155144.db2.gz CMJXPJHURHUNEH-OAHLLOKOSA-N 0 3 294.398 3.717 20 30 CHEDHN CCCCCCC[C@@H](CC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172357905 1132186966 /nfs/dbraw/zinc/18/69/66/1132186966.db2.gz MTJVSMMHSASTSY-CABCVRRESA-N 0 3 286.460 3.635 20 30 CHEDHN CCCCCCC[C@@H](C)N[C@H](C)c1ccn(C)n1 ZINC000839190890 1132190230 /nfs/dbraw/zinc/19/02/30/1132190230.db2.gz KQWJMAAIAGLCFE-ZIAGYGMSSA-N 0 3 251.418 3.820 20 30 CHEDHN Cc1ccc(N2CCN([C@H](C)CCC#N)[C@@H](C)C2)cc1C ZINC000839504604 1132219248 /nfs/dbraw/zinc/21/92/48/1132219248.db2.gz LUZLBMDYGQKRSI-SJORKVTESA-N 0 3 285.435 3.506 20 30 CHEDHN C[C@@H](CCCC#N)NCc1c(F)ccc(Cl)c1F ZINC001172478608 1132227451 /nfs/dbraw/zinc/22/74/51/1132227451.db2.gz DFRUQSUDGIOCFY-VIFPVBQESA-N 0 3 272.726 3.790 20 30 CHEDHN Cc1ccc(F)c(CN[C@H](C)CCCC#N)c1Cl ZINC001172477953 1132227723 /nfs/dbraw/zinc/22/77/23/1132227723.db2.gz AJISHAKSCWETKH-LLVKDONJSA-N 0 3 268.763 3.960 20 30 CHEDHN CCCCCCC[C@H](CCC)n1cc(CN)c(C)nc1=N ZINC001172508046 1132255350 /nfs/dbraw/zinc/25/53/50/1132255350.db2.gz FLNWZTUCEQFNFL-INIZCTEOSA-N 0 3 292.471 3.831 20 30 CHEDHN CCCCCCC[C@H](CCC)N1CC2(C1)CS(=O)C2 ZINC001172508872 1132257864 /nfs/dbraw/zinc/25/78/64/1132257864.db2.gz PVNAPZAJCMWLRA-HNNXBMFYSA-N 0 3 285.497 3.580 20 30 CHEDHN C[C@]1(C#N)CCN([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172566927 1132271696 /nfs/dbraw/zinc/27/16/96/1132271696.db2.gz ALMPDEGMZGEOPV-IXDOHACOSA-N 0 3 254.377 3.558 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC001172538851 1132275760 /nfs/dbraw/zinc/27/57/60/1132275760.db2.gz UXQFKJBCGORXQJ-IAGOWNOFSA-N 0 3 268.404 3.996 20 30 CHEDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)CC#N)c1[O-] ZINC000840788041 1132288352 /nfs/dbraw/zinc/28/83/52/1132288352.db2.gz UWEISYXCVUNFRD-NSHDSACASA-N 0 3 280.799 3.945 20 30 CHEDHN CCCCCCCN(CC)Cc1cccc(C(=O)OC)n1 ZINC001231425024 1132292697 /nfs/dbraw/zinc/29/26/97/1132292697.db2.gz BUALMXVWXUOWGL-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN N#CCCN(C1CCCC1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172720804 1132296560 /nfs/dbraw/zinc/29/65/60/1132296560.db2.gz XUZLGYNKLHPKNJ-QGZVFWFLSA-N 0 3 288.822 3.965 20 30 CHEDHN C=CCN1CCN(Cc2c(C)sc3ccccc32)CC1 ZINC001231643776 1132330737 /nfs/dbraw/zinc/33/07/37/1132330737.db2.gz JNUXWKMCVQHRTI-UHFFFAOYSA-N 0 3 286.444 3.513 20 30 CHEDHN C#CC1CCN(Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001231979789 1132405971 /nfs/dbraw/zinc/40/59/71/1132405971.db2.gz VMKPXYJUVBYWMF-UHFFFAOYSA-N 0 3 284.790 3.733 20 30 CHEDHN CCc1ccc(C[C@H](C)NC2(CC#N)CCCC2)cc1 ZINC001173251934 1132421045 /nfs/dbraw/zinc/42/10/45/1132421045.db2.gz FVWSIDZOLWVIGZ-HNNXBMFYSA-N 0 3 270.420 3.996 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232112716 1132424158 /nfs/dbraw/zinc/42/41/58/1132424158.db2.gz JIOUOUOCHNTSNY-DZGCQCFKSA-N 0 3 274.795 3.834 20 30 CHEDHN C=CCCCCN(C)Cc1ccnc(C(F)(F)F)c1 ZINC001232240766 1132443265 /nfs/dbraw/zinc/44/32/65/1132443265.db2.gz PWBRZHUJFAGDGJ-UHFFFAOYSA-N 0 3 272.314 3.889 20 30 CHEDHN Cc1nc([C@H](C)NC2CCC(CC#N)CC2)cs1 ZINC001173328180 1132462525 /nfs/dbraw/zinc/46/25/25/1132462525.db2.gz QTPNFEFDAHKVJE-PKSQDBQZSA-N 0 3 263.410 3.575 20 30 CHEDHN Cc1cc(C)c(C[NH2+]C2CCC(CC#N)CC2)c([O-])c1 ZINC001173334891 1132464688 /nfs/dbraw/zinc/46/46/88/1132464688.db2.gz ZVEKYVGHNHGRDU-UHFFFAOYSA-N 0 3 272.392 3.571 20 30 CHEDHN Cc1ccc(OC(C)C)c(CN2CCC(S)CC2)c1 ZINC001232397824 1132465404 /nfs/dbraw/zinc/46/54/04/1132465404.db2.gz DDZAUMDQDSIMPB-UHFFFAOYSA-N 0 3 279.449 3.676 20 30 CHEDHN CN(Cc1cccc(F)c1F)C1CCC(CC#N)CC1 ZINC001173337010 1132465571 /nfs/dbraw/zinc/46/55/71/1132465571.db2.gz VORRQHWUZXMRJX-UHFFFAOYSA-N 0 3 278.346 3.869 20 30 CHEDHN COc1ccc(F)c(F)c1CNC1CCC(C)(C#N)CC1 ZINC001173589410 1132496700 /nfs/dbraw/zinc/49/67/00/1132496700.db2.gz XWBOVQNZWOQEFK-UHFFFAOYSA-N 0 3 294.345 3.535 20 30 CHEDHN CCCCCCCCN(C)Cc1ccnc(C(=O)OC)c1 ZINC001232769714 1132519792 /nfs/dbraw/zinc/51/97/92/1132519792.db2.gz JYUDVOGPLYAETP-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2conc2Cc2ccccc2)C1 ZINC000843422362 1132530710 /nfs/dbraw/zinc/53/07/10/1132530710.db2.gz DYQKXRXFNZVKOD-KRWDZBQOSA-N 0 3 294.398 3.501 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2cnc(-c3ccco3)s2)C1 ZINC000843423603 1132532907 /nfs/dbraw/zinc/53/29/07/1132532907.db2.gz PDDSTBVRBSFRNZ-ZDUSSCGKSA-N 0 3 286.400 3.638 20 30 CHEDHN CCCCN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC001232924812 1132543952 /nfs/dbraw/zinc/54/39/52/1132543952.db2.gz DNLDKUWEJPUXSI-UHFFFAOYSA-N 0 3 279.387 3.756 20 30 CHEDHN Cc1ccc(CN2CCCC3(CC(F)C3)CC2)c(C#N)c1 ZINC001232967536 1132552163 /nfs/dbraw/zinc/55/21/63/1132552163.db2.gz PJMLVVFORCDDNA-UHFFFAOYSA-N 0 3 286.394 3.971 20 30 CHEDHN Cc1cnccc1Nc1oc(-c2ccccc2)cc1C#N ZINC001174537061 1132898619 /nfs/dbraw/zinc/89/86/19/1132898619.db2.gz UXVBNEPTUKAEBH-UHFFFAOYSA-N 0 3 275.311 3.687 20 30 CHEDHN N#Cc1cccc(C2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC001203556979 1133338692 /nfs/dbraw/zinc/33/86/92/1133338692.db2.gz XWSKUFKVXBGUQS-UHFFFAOYSA-N 0 3 292.382 3.643 20 30 CHEDHN C=CC(C)(C)NCc1cc(Br)ccc1F ZINC001203988160 1133394731 /nfs/dbraw/zinc/39/47/31/1133394731.db2.gz YLDGZMSVKQBJCM-UHFFFAOYSA-N 0 3 272.161 3.642 20 30 CHEDHN CN(Cc1c[nH]c2ccccc12)Cc1ccc(C#N)cc1 ZINC001204044790 1133403559 /nfs/dbraw/zinc/40/35/59/1133403559.db2.gz JNEIZMMHYBCORN-UHFFFAOYSA-N 0 3 275.355 3.672 20 30 CHEDHN CCCCCCC[N@H+](CC)Cc1ccc(O)cc1[O-] ZINC001204275347 1133426719 /nfs/dbraw/zinc/42/67/19/1133426719.db2.gz OWCQKEZQJNLYJE-UHFFFAOYSA-N 0 3 265.397 3.890 20 30 CHEDHN CCCCCCC[N@@H+](CC)Cc1ccc(O)cc1[O-] ZINC001204275347 1133426720 /nfs/dbraw/zinc/42/67/20/1133426720.db2.gz OWCQKEZQJNLYJE-UHFFFAOYSA-N 0 3 265.397 3.890 20 30 CHEDHN C=CCOc1ccc(CN2CCc3ccccc3C2)cc1 ZINC001204293873 1133431270 /nfs/dbraw/zinc/43/12/70/1133431270.db2.gz KVORBLCRBSGBCR-UHFFFAOYSA-N 0 3 279.383 3.810 20 30 CHEDHN C=CCCCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC001204530178 1133458738 /nfs/dbraw/zinc/45/87/38/1133458738.db2.gz AVULPJCZOGZCKQ-UHFFFAOYSA-N 0 3 257.299 3.892 20 30 CHEDHN C#C[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC001205980389 1133636806 /nfs/dbraw/zinc/63/68/06/1133636806.db2.gz JNCQTXGRDUHADS-LLLHUVSDSA-N 0 3 257.352 3.668 20 30 CHEDHN C=CCCCCN(C)Cc1cccc(Br)n1 ZINC001205982065 1133637836 /nfs/dbraw/zinc/63/78/36/1133637836.db2.gz GGOLHGJFDFAUCK-UHFFFAOYSA-N 0 3 283.213 3.632 20 30 CHEDHN C=CCCCCCCCCCN1C[C@@H](F)C[C@H]1CO ZINC001207896979 1133857265 /nfs/dbraw/zinc/85/72/65/1133857265.db2.gz YBYXKQMGBLTXBF-HOTGVXAUSA-N 0 3 271.420 3.698 20 30 CHEDHN C=CCCCCCCCCCN1CCCC[C@H]1C(N)=O ZINC001207899229 1133858822 /nfs/dbraw/zinc/85/88/22/1133858822.db2.gz QLGAJKGQGZQJHZ-INIZCTEOSA-N 0 3 280.456 3.633 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN2CC3(C2)C[C@H](F)CS3)CC1 ZINC001208177858 1133898913 /nfs/dbraw/zinc/89/89/13/1133898913.db2.gz IEZBEFOTINXNNE-CABCVRRESA-N 0 3 281.440 3.818 20 30 CHEDHN N#CCCN(CCCc1cccc(C#N)c1)C1CCCC1 ZINC001208852362 1133952329 /nfs/dbraw/zinc/95/23/29/1133952329.db2.gz HTXCIPDEKRMCFG-UHFFFAOYSA-N 0 3 281.403 3.649 20 30 CHEDHN N#Cc1ccc(CCCN2CCc3ccc(F)cc3C2)cc1 ZINC001208862272 1133954988 /nfs/dbraw/zinc/95/49/88/1133954988.db2.gz GNYXGQATSDCIRU-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN SC1CCN(CCc2ccc(Cl)cc2Cl)CC1 ZINC001209082367 1133974790 /nfs/dbraw/zinc/97/47/90/1133974790.db2.gz RFGUXNHBYFEPTF-UHFFFAOYSA-N 0 3 290.259 3.930 20 30 CHEDHN C=CCCCN(C)Cc1cccc(Br)c1F ZINC001209160307 1133982424 /nfs/dbraw/zinc/98/24/24/1133982424.db2.gz OSKGZKAVFKEEFC-UHFFFAOYSA-N 0 3 286.188 3.986 20 30 CHEDHN C=CCCCCCCCN1CCn2c(C)ncc2C1 ZINC001209438215 1134020778 /nfs/dbraw/zinc/02/07/78/1134020778.db2.gz HTTWZSRWNXIDOX-UHFFFAOYSA-N 0 3 261.413 3.534 20 30 CHEDHN C=CCCCCCCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC001209442125 1134022429 /nfs/dbraw/zinc/02/24/29/1134022429.db2.gz AMAAHWLAJVJEHH-AWEZNQCLSA-N 0 3 293.373 3.902 20 30 CHEDHN C=CCCCCCCCCN(C)Cc1cncnc1 ZINC001209446119 1134024287 /nfs/dbraw/zinc/02/42/87/1134024287.db2.gz RNAFHLWLCUSXFP-UHFFFAOYSA-N 0 3 261.413 3.825 20 30 CHEDHN C=CCN(Cc1cnc(Cl)cc1C)C(C)(C)C ZINC001209634454 1134045341 /nfs/dbraw/zinc/04/53/41/1134045341.db2.gz SIANMZIRPSLJDT-UHFFFAOYSA-N 0 3 252.789 3.830 20 30 CHEDHN N#C[C@H]1CCCN(Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001209654219 1134047024 /nfs/dbraw/zinc/04/70/24/1134047024.db2.gz GUZDTHOYESRNHA-LBPRGKRZSA-N 0 3 287.794 3.947 20 30 CHEDHN CC1(C)CC(=O)C=C(Nc2ccccc2CN2CCCC2)C1 ZINC001210151296 1134157651 /nfs/dbraw/zinc/15/76/51/1134157651.db2.gz DNSPHHDAYUOOHI-UHFFFAOYSA-N 0 3 298.430 3.967 20 30 CHEDHN Cc1nc2ccc(Nc3cccc(C)c3C#N)cc2[nH]1 ZINC001213074166 1134420795 /nfs/dbraw/zinc/42/07/95/1134420795.db2.gz HAPZHKJWAAITEL-UHFFFAOYSA-N 0 3 262.316 3.795 20 30 CHEDHN Cc1nc(C#N)ccc1Nc1ccnc(C(C)(C)C)c1 ZINC001213162711 1134433073 /nfs/dbraw/zinc/43/30/73/1134433073.db2.gz JNUMAOHANSNBMO-UHFFFAOYSA-N 0 3 266.348 3.698 20 30 CHEDHN Cc1cc(CNCc2ccc(C#N)c(F)c2)c(C)s1 ZINC000404820164 1134949103 /nfs/dbraw/zinc/94/91/03/1134949103.db2.gz CZRDXKLYAZKIOI-UHFFFAOYSA-N 0 3 274.364 3.666 20 30 CHEDHN C=C[C@]1(C)CC[C@H](Oc2cccc3c2CNC3)C(C)(C)O1 ZINC001218354699 1135093514 /nfs/dbraw/zinc/09/35/14/1135093514.db2.gz IFTCWDZEAHTYNR-FUHWJXTLSA-N 0 3 287.403 3.571 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001220288584 1135149148 /nfs/dbraw/zinc/14/91/48/1135149148.db2.gz BQNVDRNPWDYLJG-XHSDSOJGSA-N 0 3 294.483 3.781 20 30 CHEDHN CCCCCCCCC[C@@H](C)OCCN1CCN(C)CC1 ZINC001224549351 1135459729 /nfs/dbraw/zinc/45/97/29/1135459729.db2.gz MMGUGDIFKTUNKB-GOSISDBHSA-N 0 3 298.515 3.780 20 30 CHEDHN C=CCC[C@@H](C)NCc1ccccc1Br ZINC000096034301 185067980 /nfs/dbraw/zinc/06/79/80/185067980.db2.gz LWLCDOIUBAAJDG-LLVKDONJSA-N 0 3 268.198 3.893 20 30 CHEDHN CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000344309414 529678039 /nfs/dbraw/zinc/67/80/39/529678039.db2.gz ZFJOCQJDTSVYFH-UONOGXRCSA-N 0 3 279.387 3.927 20 30 CHEDHN CN(CCC(C)(C)C#N)Cc1cccc2[nH]ccc21 ZINC000347114842 529873810 /nfs/dbraw/zinc/87/38/10/529873810.db2.gz AWVFHKFJIDVBFI-UHFFFAOYSA-N 0 3 255.365 3.540 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000347036360 533108751 /nfs/dbraw/zinc/10/87/51/533108751.db2.gz LWJSFGVMBGXVID-KBPBESRZSA-N 0 3 298.411 3.998 20 30 CHEDHN C=CC[C@@H](C)NCc1ccc(CSC(F)F)o1 ZINC000116927748 260007698 /nfs/dbraw/zinc/00/76/98/260007698.db2.gz OMZKYAXUBFZJRV-SECBINFHSA-N 0 3 261.337 3.790 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000186818527 260011598 /nfs/dbraw/zinc/01/15/98/260011598.db2.gz IQTONWIOCKCIJT-QWHCGFSZSA-N 0 3 280.412 3.680 20 30 CHEDHN C=CCC[C@@H](NCc1cc(COC(C)(C)C)on1)C1CC1 ZINC000186822200 260013107 /nfs/dbraw/zinc/01/31/07/260013107.db2.gz RSPUSSBIQYDYRJ-MRXNPFEDSA-N 0 3 292.423 3.824 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC(C)(C2CC2)CC1 ZINC000352191541 533494635 /nfs/dbraw/zinc/49/46/35/533494635.db2.gz SNTDRDWLQBZLIC-UHFFFAOYSA-N 0 3 284.403 3.579 20 30 CHEDHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000335980662 533540858 /nfs/dbraw/zinc/54/08/58/533540858.db2.gz WPSYTEOYTKSUGY-PWSUYJOCSA-N 0 3 282.309 3.926 20 30 CHEDHN C=CCOc1cccc(CNCc2cccs2)c1 ZINC000006303874 170189352 /nfs/dbraw/zinc/18/93/52/170189352.db2.gz YVMFPQAPHZYPCG-UHFFFAOYSA-N 0 3 259.374 3.603 20 30 CHEDHN C[C@@H](NC[C@@H](c1cccs1)N(C)C)c1ccc(C#N)cc1 ZINC000020147600 171034285 /nfs/dbraw/zinc/03/42/85/171034285.db2.gz SFJIOCMBNZHZDE-CJNGLKHVSA-N 0 3 299.443 3.573 20 30 CHEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000035054092 171955475 /nfs/dbraw/zinc/95/54/75/171955475.db2.gz WUDAHWGRJOVFIH-SFHVURJKSA-N 0 3 262.356 3.799 20 30 CHEDHN C=CCN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000037373630 173163282 /nfs/dbraw/zinc/16/32/82/173163282.db2.gz XPDJERGXOLGOPL-QGZVFWFLSA-N 0 3 253.345 3.560 20 30 CHEDHN N#Cc1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000037488174 173230851 /nfs/dbraw/zinc/23/08/51/173230851.db2.gz VKAAQENJQYLMHG-UHFFFAOYSA-N 0 3 256.736 3.501 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1F ZINC000334738497 225296458 /nfs/dbraw/zinc/29/64/58/225296458.db2.gz MQYJLNMZADCZPB-GOSISDBHSA-N 0 3 295.361 3.734 20 30 CHEDHN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(CC#N)cc2)C1 ZINC000347173326 226068856 /nfs/dbraw/zinc/06/88/56/226068856.db2.gz SLQJREODBICTRY-KXBFYZLASA-N 0 3 291.398 3.731 20 30 CHEDHN N#CC1(c2ccccn2)CCN([C@H]2/C=C/CCCCC2)CC1 ZINC000336511124 227079881 /nfs/dbraw/zinc/07/98/81/227079881.db2.gz YBYCNHILAIFKFP-AUNFYEFLSA-N 0 3 295.430 3.828 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000336630904 227223132 /nfs/dbraw/zinc/22/31/32/227223132.db2.gz QTTYNQBWYYMNCS-CXAGYDPISA-N 0 3 270.351 3.607 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000352819192 227256602 /nfs/dbraw/zinc/25/66/02/227256602.db2.gz ADGOLCBVIJSPIP-GOEBONIOSA-N 0 3 297.427 3.516 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NC2(c3ccc(Cl)cc3)CC2)C1 ZINC000336170912 228203045 /nfs/dbraw/zinc/20/30/45/228203045.db2.gz LGJXSUBMXASZDJ-BXUZGUMPSA-N 0 3 260.768 3.611 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000186818561 260011948 /nfs/dbraw/zinc/01/19/48/260011948.db2.gz IQTONWIOCKCIJT-STQMWFEESA-N 0 3 280.412 3.680 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)[C@@H](C)C2 ZINC000180083161 260092219 /nfs/dbraw/zinc/09/22/19/260092219.db2.gz MOHWBLYWOPNZNZ-IFXJQAMLSA-N 0 3 276.383 3.890 20 30 CHEDHN C[C@H](NCC(C)(C)CCC#N)c1cc(F)ccc1F ZINC000229674888 260136962 /nfs/dbraw/zinc/13/69/62/260136962.db2.gz BBEFHRFLXPIZQM-NSHDSACASA-N 0 3 266.335 3.945 20 30 CHEDHN CC[C@@H](C)[C@H](C)NCc1ccc(Br)cc1C#N ZINC000310310477 260212784 /nfs/dbraw/zinc/21/27/84/260212784.db2.gz TUTFVRLILQJQHF-MNOVXSKESA-N 0 3 295.224 3.845 20 30 CHEDHN C=C(C)COCCN[C@H]1C[C@H](C)Sc2sccc21 ZINC000090451339 260359896 /nfs/dbraw/zinc/35/98/96/260359896.db2.gz DBKOFFAVOWKDNC-AAEUAGOBSA-N 0 3 283.462 3.856 20 30 CHEDHN CC(C)(C)OC1CC(N[C@H](CCC#N)c2ccccc2)C1 ZINC000156765046 261131455 /nfs/dbraw/zinc/13/14/55/261131455.db2.gz XQULTLRYTZSESV-OFLPRAFFSA-N 0 3 286.419 3.967 20 30 CHEDHN C=CCC[C@@H](N[C@@H]1CCc2nc(C)ncc2C1)c1ccco1 ZINC000367603293 261305739 /nfs/dbraw/zinc/30/57/39/261305739.db2.gz YWPQVSOXNZZBEV-NVXWUHKLSA-N 0 3 297.402 3.532 20 30 CHEDHN C[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177358154 261350482 /nfs/dbraw/zinc/35/04/82/261350482.db2.gz OKBLVMKPUMZFRI-LBPRGKRZSA-N 0 3 267.294 3.541 20 30 CHEDHN C=CCSCCNCc1csc(Br)c1 ZINC000105462404 261359224 /nfs/dbraw/zinc/35/92/24/261359224.db2.gz UVZDIKWMFUBVMU-UHFFFAOYSA-N 0 3 292.267 3.519 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000181591278 261903983 /nfs/dbraw/zinc/90/39/83/261903983.db2.gz USSFNCCFWZZLMT-GFCCVEGCSA-N 0 3 276.355 3.569 20 30 CHEDHN Cc1ccccc1[C@@H](C)N(C)CCOc1ccccc1C#N ZINC000497485737 262168499 /nfs/dbraw/zinc/16/84/99/262168499.db2.gz JWBHZCUKNQDPTD-MRXNPFEDSA-N 0 3 294.398 3.939 20 30 CHEDHN Cc1ccc([C@H](C)N(C)CCOc2ccccc2C#N)cc1 ZINC000497605893 262180621 /nfs/dbraw/zinc/18/06/21/262180621.db2.gz UFQJAQASONLJOQ-INIZCTEOSA-N 0 3 294.398 3.939 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NC2(c3ccccc3)CCC2)C1 ZINC000193088519 262216145 /nfs/dbraw/zinc/21/61/45/262216145.db2.gz USALYLDUBPUTKC-ZBFHGGJFSA-N 0 3 254.377 3.738 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000521425602 262327998 /nfs/dbraw/zinc/32/79/98/262327998.db2.gz GMVHJEKQWPBLAD-IBGZPJMESA-N 0 3 294.373 3.904 20 30 CHEDHN C[C@H](NCc1cccc(C#N)c1F)C1CCCCC1 ZINC000221956223 262336934 /nfs/dbraw/zinc/33/69/34/262336934.db2.gz AZZVQAYPUHDVQE-LBPRGKRZSA-N 0 3 260.356 3.756 20 30 CHEDHN C=C[C@H](C)N[C@H]1CCCc2c(Br)cccc21 ZINC000336745306 262389812 /nfs/dbraw/zinc/38/98/12/262389812.db2.gz QPSLHZVERGZQBQ-HZMBPMFUSA-N 0 3 280.209 3.991 20 30 CHEDHN CC(C)(C)CN(CCC#N)CCCCC(C)(C)C#N ZINC000336806194 262395616 /nfs/dbraw/zinc/39/56/16/262395616.db2.gz KRFSSBMOKUNSHY-UHFFFAOYSA-N 0 3 263.429 3.968 20 30 CHEDHN Cc1c([C@H](C)NCC(C)(C)CC#N)cnn1C(C)(C)C ZINC000414165074 262819682 /nfs/dbraw/zinc/81/96/82/262819682.db2.gz LDLGOHKWKWWYIH-LBPRGKRZSA-N 0 3 276.428 3.537 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CS[C@@H](C)C1)c1ccco1 ZINC000414221388 262827560 /nfs/dbraw/zinc/82/75/60/262827560.db2.gz DFWZXMTZHBWWDY-AVGNSLFASA-N 0 3 251.395 3.771 20 30 CHEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000266860656 262920327 /nfs/dbraw/zinc/92/03/27/262920327.db2.gz JOAFBUBAYNGTIA-KXBFYZLASA-N 0 3 292.382 3.782 20 30 CHEDHN C[C@@H](NCCC(C)(C)C#N)c1cccc(OC(F)F)c1 ZINC000272009475 263001290 /nfs/dbraw/zinc/00/12/90/263001290.db2.gz JWOMHISCVZMSLD-LLVKDONJSA-N 0 3 282.334 3.878 20 30 CHEDHN CN(CCC(C)(C)C#N)Cc1cc2ccccc2o1 ZINC000272022218 263001416 /nfs/dbraw/zinc/00/14/16/263001416.db2.gz NIFJSMOZZFCCNS-UHFFFAOYSA-N 0 3 256.349 3.804 20 30 CHEDHN CC(C)(C)c1nn(-c2ccccc2)cc1CNCCCC#N ZINC000273003842 263010965 /nfs/dbraw/zinc/01/09/65/263010965.db2.gz ARHTZWYWRRXWSL-UHFFFAOYSA-N 0 3 296.418 3.563 20 30 CHEDHN CN(Cc1ccc(Br)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000278746281 263050432 /nfs/dbraw/zinc/05/04/32/263050432.db2.gz WTNOYPLTEWAVBF-JSGCOSHPSA-N 0 3 293.208 3.573 20 30 CHEDHN N#CC1CCC(CNCc2ccc(F)cc2Cl)CC1 ZINC000282206927 263075023 /nfs/dbraw/zinc/07/50/23/263075023.db2.gz DBGKKEBOOLFUFS-UHFFFAOYSA-N 0 3 280.774 3.899 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000282852793 263079163 /nfs/dbraw/zinc/07/91/63/263079163.db2.gz SYSRSXSPPVHFPR-SMDDNHRTSA-N 0 3 250.773 3.553 20 30 CHEDHN CC(C)(C#N)CCCN1CCC=C(c2ccco2)C1 ZINC000285269940 263091873 /nfs/dbraw/zinc/09/18/73/263091873.db2.gz IMHUFCQPSLLBGU-UHFFFAOYSA-N 0 3 258.365 3.699 20 30 CHEDHN CC[C@H](NCCC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000285371622 263092600 /nfs/dbraw/zinc/09/26/00/263092600.db2.gz FYMBFXPHWYJRRA-AWEZNQCLSA-N 0 3 290.407 3.684 20 30 CHEDHN CC(C)CCN(CCC#N)C[C@H]1CCC(F)(F)C1 ZINC000340290010 263105101 /nfs/dbraw/zinc/10/51/01/263105101.db2.gz MJZVMAHBKIPLCM-ZDUSSCGKSA-N 0 3 258.356 3.684 20 30 CHEDHN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCCC#N ZINC000290478811 263117096 /nfs/dbraw/zinc/11/70/96/263117096.db2.gz XHGVSBJGAUWTFK-MRXNPFEDSA-N 0 3 267.376 3.747 20 30 CHEDHN C[C@H]1CN(CC(C)(C)CCC#N)Cc2ccccc2O1 ZINC000292884097 263136041 /nfs/dbraw/zinc/13/60/41/263136041.db2.gz YBIRCSYXZAMDJV-AWEZNQCLSA-N 0 3 272.392 3.599 20 30 CHEDHN C=C(CNCc1c[nH]nc1-c1ccc(C)o1)c1ccccc1 ZINC000340437683 263147640 /nfs/dbraw/zinc/14/76/40/263147640.db2.gz YNYASLVHOOCOCB-UHFFFAOYSA-N 0 3 293.370 3.781 20 30 CHEDHN CC(C)(CCC#N)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000293996994 263153952 /nfs/dbraw/zinc/15/39/52/263153952.db2.gz SMMPOVVPZLWMQS-HNNXBMFYSA-N 0 3 271.408 3.794 20 30 CHEDHN CC(C)(C)c1cnc(CN[C@H]2CC[C@@H](CC#N)C2)s1 ZINC000294987788 263170498 /nfs/dbraw/zinc/17/04/98/263170498.db2.gz HEWSSNFQCZSCCJ-RYUDHWBXSA-N 0 3 277.437 3.613 20 30 CHEDHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CC[C@@H](CC#N)C2)o1 ZINC000295075822 263172017 /nfs/dbraw/zinc/17/20/17/263172017.db2.gz PRPGLSBKYCAKDV-UKTARXLSSA-N 0 3 258.365 3.575 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2cc(Cl)ccc2F)C1 ZINC000295079941 263172044 /nfs/dbraw/zinc/17/20/44/263172044.db2.gz QGJAAUMMJOESBW-GWCFXTLKSA-N 0 3 266.747 3.651 20 30 CHEDHN CCc1ccc2nccc(NCCCCC#N)c2c1 ZINC000297327771 263203468 /nfs/dbraw/zinc/20/34/68/263203468.db2.gz ZYNMMMCUPOJRHU-UHFFFAOYSA-N 0 3 253.349 3.903 20 30 CHEDHN Cc1nc2ccccc2n1C1CCN([C@@H](C)CCC#N)CC1 ZINC000298581014 263222765 /nfs/dbraw/zinc/22/27/65/263222765.db2.gz QYMGXIRKQKECRE-AWEZNQCLSA-N 0 3 296.418 3.674 20 30 CHEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(N2CCCC2)c1 ZINC000298739061 263225070 /nfs/dbraw/zinc/22/50/70/263225070.db2.gz BVEDWIAXNXICAC-LSDHHAIUSA-N 0 3 271.408 3.630 20 30 CHEDHN C[C@@H](NC[C@H]1CCCC1(F)F)c1ccc(C#N)c(F)c1 ZINC000453312806 263227464 /nfs/dbraw/zinc/22/74/64/263227464.db2.gz CELPERCKMNFQTH-ZWNOBZJWSA-N 0 3 282.309 3.783 20 30 CHEDHN CCOc1ccc(C2=CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000299692677 263252349 /nfs/dbraw/zinc/25/23/49/263252349.db2.gz NXUZMUCPJWOCPD-HNNXBMFYSA-N 0 3 284.403 3.867 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCc1ccccc1 ZINC000187713785 263267172 /nfs/dbraw/zinc/26/71/72/263267172.db2.gz AWTRQJQTWNKHCC-INIZCTEOSA-N 0 3 294.398 3.768 20 30 CHEDHN C=CCCOCCN[C@@H](CCC)c1ccsc1 ZINC000187807450 263268630 /nfs/dbraw/zinc/26/86/30/263268630.db2.gz XNQSXXRPABUOKQ-AWEZNQCLSA-N 0 3 253.411 3.772 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1nccn1CCc1ccccc1 ZINC000164267080 263270762 /nfs/dbraw/zinc/27/07/62/263270762.db2.gz HVXWPRLVNZBYNC-DLBZAZTESA-N 0 3 297.446 3.816 20 30 CHEDHN C=C(C)COCCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000341891765 263362040 /nfs/dbraw/zinc/36/20/40/263362040.db2.gz VYMATBULXNJTKW-HNNXBMFYSA-N 0 3 295.810 3.736 20 30 CHEDHN C=CCC[C@@H](NCCOC)c1ccc(C(F)(F)F)cc1 ZINC000342188142 263397266 /nfs/dbraw/zinc/39/72/66/263397266.db2.gz CPLITNKXVWIDEM-CQSZACIVSA-N 0 3 287.325 3.949 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(-c2ccccn2)nc1 ZINC000425389568 264221856 /nfs/dbraw/zinc/22/18/56/264221856.db2.gz YWNNSNATLTZWGG-UHFFFAOYSA-N 0 3 267.376 3.542 20 30 CHEDHN CC(C)Oc1cccc([C@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000189583634 264310467 /nfs/dbraw/zinc/31/04/67/264310467.db2.gz PNBNXBMAUAYYQI-AWEZNQCLSA-N 0 3 297.402 3.535 20 30 CHEDHN CC(C)Cc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000189582307 264310515 /nfs/dbraw/zinc/31/05/15/264310515.db2.gz NGPSUTDJMHMOLH-OAHLLOKOSA-N 0 3 295.430 3.946 20 30 CHEDHN C=CCOc1ccc(CN[C@@H](C)c2cncc(C)c2)cc1 ZINC000287468227 264620893 /nfs/dbraw/zinc/62/08/93/264620893.db2.gz MHFXWPCVROKSOO-HNNXBMFYSA-N 0 3 282.387 3.806 20 30 CHEDHN CC1(C2CC2)CCN(Cc2ccccc2C#N)CC1 ZINC000352189596 265943098 /nfs/dbraw/zinc/94/30/98/265943098.db2.gz MQSIXHDSABALIP-UHFFFAOYSA-N 0 3 254.377 3.570 20 30 CHEDHN C[C@H]1CCC[C@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000357745312 266354628 /nfs/dbraw/zinc/35/46/28/266354628.db2.gz OOYPFPSUSANPFA-GJZGRUSLSA-N 0 3 281.403 3.821 20 30 CHEDHN C[C@@H](NCCc1ccsc1)c1ccc(C#N)cc1F ZINC000358573150 266478680 /nfs/dbraw/zinc/47/86/80/266478680.db2.gz QXDHBRQYMDVDSS-LLVKDONJSA-N 0 3 274.364 3.652 20 30 CHEDHN CN(Cc1cc(C#N)n(C)c1)Cc1ccc2ccccc2c1 ZINC000361492964 266834053 /nfs/dbraw/zinc/83/40/53/266834053.db2.gz OAGMQUOXJZJKAH-UHFFFAOYSA-N 0 3 289.382 3.682 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CCC(C3CC3)CC2)cc1 ZINC000368636342 267192705 /nfs/dbraw/zinc/19/27/05/267192705.db2.gz HSPNVAFLJDQSLX-CQSZACIVSA-N 0 3 284.403 3.599 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000119345542 267323737 /nfs/dbraw/zinc/32/37/37/267323737.db2.gz BVTMJGDUEABZRN-WDEREUQCSA-N 0 3 273.405 3.739 20 30 CHEDHN C[C@H](Cc1cccc(Cl)c1)NCC1(C#N)CCC1 ZINC000418136039 267367708 /nfs/dbraw/zinc/36/77/08/267367708.db2.gz BVACIVIZFLKEMI-GFCCVEGCSA-N 0 3 262.784 3.554 20 30 CHEDHN Cc1ccc([C@@H]2CCC[C@@H]2NCC2(C#N)CCC2)cc1 ZINC000418137959 267371446 /nfs/dbraw/zinc/37/14/46/267371446.db2.gz FPFFYTUZYWODAQ-IRXDYDNUSA-N 0 3 268.404 3.915 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000580518917 335089851 /nfs/dbraw/zinc/08/98/51/335089851.db2.gz IXZWXDNHRGAAEU-DFBGVHRSSA-N 0 3 295.810 3.733 20 30 CHEDHN COc1cc(OC)c([C@H](C)NCCCCC#N)cc1Cl ZINC000178648512 327795437 /nfs/dbraw/zinc/79/54/37/327795437.db2.gz FSXWOZSQNZHPSL-NSHDSACASA-N 0 3 296.798 3.702 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000185763024 327844926 /nfs/dbraw/zinc/84/49/26/327844926.db2.gz RLZJZTULXVIDPY-AAEUAGOBSA-N 0 3 298.308 3.757 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(OCC(F)F)c2)C1 ZINC000185822999 327846655 /nfs/dbraw/zinc/84/66/55/327846655.db2.gz KXKRLNWKPVUCPV-OCCSQVGLSA-N 0 3 294.345 3.502 20 30 CHEDHN Cc1c2ccccc2oc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185833550 327847177 /nfs/dbraw/zinc/84/71/77/327847177.db2.gz VQOCBIMXTLSCJB-ZIAGYGMSSA-N 0 3 268.360 3.913 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000125616145 327899799 /nfs/dbraw/zinc/89/97/99/327899799.db2.gz QPYLBBSXQBWPTP-LBPRGKRZSA-N 0 3 285.334 3.531 20 30 CHEDHN CC1(C#N)CCC(NCc2ccc(F)cc2F)CC1 ZINC000336222057 328005196 /nfs/dbraw/zinc/00/51/96/328005196.db2.gz GFYFATBNUICXCY-UHFFFAOYSA-N 0 3 264.319 3.527 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000411765193 328099179 /nfs/dbraw/zinc/09/91/79/328099179.db2.gz AIDROCDVKGQVDL-UWVGGRQHSA-N 0 3 299.187 3.931 20 30 CHEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000411765195 328099216 /nfs/dbraw/zinc/09/92/16/328099216.db2.gz AIDROCDVKGQVDL-ZJUUUORDSA-N 0 3 299.187 3.931 20 30 CHEDHN C[C@@H](NCCCCC#N)c1nc2ccccc2n1C(F)F ZINC000264169404 328158315 /nfs/dbraw/zinc/15/83/15/328158315.db2.gz YNUUMUPEVZKDFF-LLVKDONJSA-N 0 3 292.333 3.776 20 30 CHEDHN C[C@H](Cc1ccccc1C(F)(F)F)N(C)CCCC#N ZINC000287341973 328250843 /nfs/dbraw/zinc/25/08/43/328250843.db2.gz LAHXEYFAHUQRTR-GFCCVEGCSA-N 0 3 284.325 3.872 20 30 CHEDHN N#CC[C@@H]1CC[C@H](N[C@H]2CCc3c2c(F)ccc3F)C1 ZINC000296498103 328291029 /nfs/dbraw/zinc/29/10/29/328291029.db2.gz OYWLUQLUQMDNLO-PGUXBMHVSA-N 0 3 276.330 3.624 20 30 CHEDHN CC(C)C[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC000396894723 329318392 /nfs/dbraw/zinc/31/83/92/329318392.db2.gz YQPQKZOAQZXEJX-OAHLLOKOSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180975930 328496880 /nfs/dbraw/zinc/49/68/80/328496880.db2.gz DFLJZMJODBVWRE-NSHDSACASA-N 0 3 273.298 3.854 20 30 CHEDHN C=CCCCCCN[C@@H](c1ccccc1)c1cncnc1 ZINC000584063514 326912947 /nfs/dbraw/zinc/91/29/47/326912947.db2.gz TTWOGIYQAALPTM-SFHVURJKSA-N 0 3 281.403 3.902 20 30 CHEDHN CC(C)CO[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000557807224 327028290 /nfs/dbraw/zinc/02/82/90/327028290.db2.gz DXVPVZVCXMDCHV-GJZGRUSLSA-N 0 3 292.448 3.549 20 30 CHEDHN CC(C)(C#N)CCN(CCc1ccc(F)cc1)C1CC1 ZINC000557965982 327037801 /nfs/dbraw/zinc/03/78/01/327037801.db2.gz IEPVLQWNJZZFSE-UHFFFAOYSA-N 0 3 274.383 3.772 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cnc2ccsc2c1 ZINC000090883639 327101625 /nfs/dbraw/zinc/10/16/25/327101625.db2.gz NDILIELTMZDQFI-GFCCVEGCSA-N 0 3 276.405 3.540 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569609041 327209778 /nfs/dbraw/zinc/20/97/78/327209778.db2.gz RYLVKRCSSIQBHU-IVMMDQJWSA-N 0 3 299.374 3.619 20 30 CHEDHN C=CCOc1ccc(CN2CCS[C@@H](CC)C2)cc1 ZINC000560559701 327325141 /nfs/dbraw/zinc/32/51/41/327325141.db2.gz UHMDHOUOTURKAQ-INIZCTEOSA-N 0 3 277.433 3.579 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000358321891 328882239 /nfs/dbraw/zinc/88/22/39/328882239.db2.gz SIGMCTBFOKRLHB-QWRGUYRKSA-N 0 3 251.395 3.642 20 30 CHEDHN CC(C)(C#N)CCCCN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000377648565 329022938 /nfs/dbraw/zinc/02/29/38/329022938.db2.gz UZKOKWXREGJNGC-CABCVRRESA-N 0 3 278.440 3.596 20 30 CHEDHN COc1cc(CN(C)Cc2cccc(C#N)c2)ccc1C ZINC000193687522 329060791 /nfs/dbraw/zinc/06/07/91/329060791.db2.gz MKJZMCFAIIPMLS-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C=CCSCCN[C@H]1CCCOc2cc(C)ccc21 ZINC000180457834 329217371 /nfs/dbraw/zinc/21/73/71/329217371.db2.gz COZLBGGXQNADEZ-HNNXBMFYSA-N 0 3 277.433 3.718 20 30 CHEDHN C=CCCOCCN[C@H](CC)c1cccc(Cl)c1 ZINC000222443252 329223958 /nfs/dbraw/zinc/22/39/58/329223958.db2.gz RYGLXVGBTOPBNU-OAHLLOKOSA-N 0 3 267.800 3.973 20 30 CHEDHN C=CCc1cc(CN2CC(C)=C[C@@H](C)C2)cc(OC)c1O ZINC000430880215 329233153 /nfs/dbraw/zinc/23/31/53/329233153.db2.gz WJNCPCKHIPUNBR-CYBMUJFWSA-N 0 3 287.403 3.527 20 30 CHEDHN C=C(C)CN(C)Cc1cc(-c2ccncc2)ccc1OC ZINC000187365450 329355901 /nfs/dbraw/zinc/35/59/01/329355901.db2.gz NVMWUDKPNGCQRP-UHFFFAOYSA-N 0 3 282.387 3.765 20 30 CHEDHN N#CCCC1CCN(C/C=C/c2ccccc2)CC1 ZINC000399408861 329452616 /nfs/dbraw/zinc/45/26/16/329452616.db2.gz QMUSTLRMPCRRNH-WEVVVXLNSA-N 0 3 254.377 3.716 20 30 CHEDHN CC#CCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000158302913 329618466 /nfs/dbraw/zinc/61/84/66/329618466.db2.gz QBWQCWZCUQSTOD-UHFFFAOYSA-N 0 3 257.308 3.589 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248898576 329902017 /nfs/dbraw/zinc/90/20/17/329902017.db2.gz UFENXRGTXUQQKT-INWMFGNUSA-N 0 3 288.366 3.711 20 30 CHEDHN COc1cc(CN(C)[C@H]2CC[C@@H](C#N)C2)ccc1SC ZINC000429684292 330057962 /nfs/dbraw/zinc/05/79/62/330057962.db2.gz JYOGMMOXXJIYKW-OCCSQVGLSA-N 0 3 290.432 3.541 20 30 CHEDHN C=C1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000264471978 330061203 /nfs/dbraw/zinc/06/12/03/330061203.db2.gz NRGIRLWJEKDXLP-UHFFFAOYSA-N 0 3 294.398 3.813 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000264930891 330062032 /nfs/dbraw/zinc/06/20/32/330062032.db2.gz AMUSVLFRZXLSRE-HNNXBMFYSA-N 0 3 295.382 3.558 20 30 CHEDHN C#CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000273474212 330093108 /nfs/dbraw/zinc/09/31/08/330093108.db2.gz KHPHDLKQXOXBQW-KSSFIOAISA-N 0 3 295.382 3.816 20 30 CHEDHN C#CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000273474212 330093109 /nfs/dbraw/zinc/09/31/09/330093109.db2.gz KHPHDLKQXOXBQW-KSSFIOAISA-N 0 3 295.382 3.816 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H](C)c1cc(C)ccc1O ZINC000273521463 330097007 /nfs/dbraw/zinc/09/70/07/330097007.db2.gz UJKLTUIPYFRBCJ-HNNXBMFYSA-N 0 3 295.382 3.563 20 30 CHEDHN COc1ccc([C@@H](NCC(C)(C)CC#N)C2CC2)c(F)c1 ZINC000421863243 330098559 /nfs/dbraw/zinc/09/85/59/330098559.db2.gz XDIXZZMTJALGTA-INIZCTEOSA-N 0 3 290.382 3.815 20 30 CHEDHN C=CCC[C@@H](N[C@H](C)Cc1cc(C)[nH]n1)c1ccco1 ZINC000278955965 330121016 /nfs/dbraw/zinc/12/10/16/330121016.db2.gz NJZAFVCAUTWXAR-IUODEOHRSA-N 0 3 273.380 3.539 20 30 CHEDHN C=CCC[C@@H](N[C@H](C)Cc1cc(C)n[nH]1)c1ccco1 ZINC000278955965 330121018 /nfs/dbraw/zinc/12/10/18/330121018.db2.gz NJZAFVCAUTWXAR-IUODEOHRSA-N 0 3 273.380 3.539 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]3CCCC[C@H]32)c(F)c1 ZINC000217728331 330138563 /nfs/dbraw/zinc/13/85/63/330138563.db2.gz PYTZUEYTHRZMAS-RHSMWYFYSA-N 0 3 272.367 3.852 20 30 CHEDHN C[C@@H](C1CCC1)N(C)Cc1ccc(C#N)cc1Cl ZINC000325636185 330232745 /nfs/dbraw/zinc/23/27/45/330232745.db2.gz YRZOHBQPZSVYHO-NSHDSACASA-N 0 3 262.784 3.832 20 30 CHEDHN COc1ccc(C(C)(C)NCc2cccc(C#N)c2)cc1F ZINC000527782114 330283043 /nfs/dbraw/zinc/28/30/43/330283043.db2.gz TVHDTGNWRNLBTB-UHFFFAOYSA-N 0 3 298.361 3.731 20 30 CHEDHN CCc1cccc(Cl)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424193935 330324352 /nfs/dbraw/zinc/32/43/52/330324352.db2.gz KYPRHHZCPBHUFC-WCQYABFASA-N 0 3 262.784 3.684 20 30 CHEDHN Cc1cccc([C@H](C)CNCc2ccc(C#N)cc2F)c1 ZINC000533309751 330356928 /nfs/dbraw/zinc/35/69/28/330356928.db2.gz NQOHNJHXNVPZBZ-CQSZACIVSA-N 0 3 282.362 3.899 20 30 CHEDHN N#Cc1ccc(CNCC2(c3ccccc3)CCC2)c(F)c1 ZINC000533311691 330357135 /nfs/dbraw/zinc/35/71/35/330357135.db2.gz AEYFTAQNCDPSHS-UHFFFAOYSA-N 0 3 294.373 3.909 20 30 CHEDHN C[C@@H](NC[C@@H]1OCCc2ccccc21)c1ccc(C#N)cc1 ZINC000315570986 330477951 /nfs/dbraw/zinc/47/79/51/330477951.db2.gz KGRMHORKODSEPS-KUHUBIRLSA-N 0 3 292.382 3.523 20 30 CHEDHN CCS[C@H]1CCCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000429680636 330551798 /nfs/dbraw/zinc/55/17/98/330551798.db2.gz IJNCPOUPBOQOGB-IRXDYDNUSA-N 0 3 291.435 3.831 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(F)c(Cl)c1 ZINC000429778669 330554580 /nfs/dbraw/zinc/55/45/80/330554580.db2.gz FOICFQXGEYPOAY-SNVBAGLBSA-N 0 3 266.747 3.824 20 30 CHEDHN C=CCC[C@@H](C)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000435024600 330648267 /nfs/dbraw/zinc/64/82/67/330648267.db2.gz SXTLPYWKVQJIRS-CJNGLKHVSA-N 0 3 274.408 3.838 20 30 CHEDHN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1 ZINC000154349117 330656937 /nfs/dbraw/zinc/65/69/37/330656937.db2.gz DFRHCRWLVSOITL-ZJUUUORDSA-N 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289.382 3.551 20 30 CHEDHN N#Cc1cc(F)ccc1CN[C@H]1CCC12CCCC2 ZINC000451452776 331030095 /nfs/dbraw/zinc/03/00/95/331030095.db2.gz DXRXNMXIMHTUHJ-HNNXBMFYSA-N 0 3 258.340 3.510 20 30 CHEDHN CO[C@](C)(CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000453313094 331115149 /nfs/dbraw/zinc/11/51/49/331115149.db2.gz DHGMPGBNACCSSJ-DNVCBOLYSA-N 0 3 294.398 3.771 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000453338204 331118735 /nfs/dbraw/zinc/11/87/35/331118735.db2.gz BAXOUPKHYIUFIU-LBPRGKRZSA-N 0 3 290.798 3.538 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000453343015 331119362 /nfs/dbraw/zinc/11/93/62/331119362.db2.gz DNLVXIMJWDHNGZ-YUTCNCBUSA-N 0 3 297.345 3.591 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCSc2ccc(F)cc21 ZINC000453354110 331121256 /nfs/dbraw/zinc/12/12/56/331121256.db2.gz NAVRKCCJOVGELT-ZNMIVQPWSA-N 0 3 293.407 3.686 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(SCC)cc1 ZINC000453366403 331123355 /nfs/dbraw/zinc/12/33/55/331123355.db2.gz 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/nfs/dbraw/zinc/20/77/60/331207760.db2.gz DUXVANNTJCUGHM-OSAQELSMSA-N 0 3 290.794 3.642 20 30 CHEDHN C=CCCN(C)Cc1cnc(-c2cccs2)s1 ZINC000467393281 331236722 /nfs/dbraw/zinc/23/67/22/331236722.db2.gz ZLCZQQUKVRHSKP-UHFFFAOYSA-N 0 3 264.419 3.880 20 30 CHEDHN C=C(CC)CN1CCC2(CC1)OCCc1ccccc12 ZINC000459512500 331285445 /nfs/dbraw/zinc/28/54/45/331285445.db2.gz FAVVNVVTXHZABW-UHFFFAOYSA-N 0 3 271.404 3.517 20 30 CHEDHN CC(C)(C#N)CCN1Cc2sccc2CC1(C)C ZINC000459578454 331289074 /nfs/dbraw/zinc/28/90/74/331289074.db2.gz IGHIVEBWMZFEOR-UHFFFAOYSA-N 0 3 262.422 3.825 20 30 CHEDHN C=C(CC)CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459671286 331293403 /nfs/dbraw/zinc/29/34/03/331293403.db2.gz WHZSCUQXZHIGIW-CYBMUJFWSA-N 0 3 291.357 3.634 20 30 CHEDHN C=CCOc1ccc(CNCC(C)(C)CC#N)cc1Cl ZINC000459690803 331294643 /nfs/dbraw/zinc/29/46/43/331294643.db2.gz JVZRSMYYNYOYDP-UHFFFAOYSA-N 0 3 292.810 3.934 20 30 CHEDHN Cc1cc(Cl)ccc1CNCC(C)(C)CC#N ZINC000459727544 331296188 /nfs/dbraw/zinc/29/61/88/331296188.db2.gz HCTZGZAJIIMTTE-UHFFFAOYSA-N 0 3 250.773 3.678 20 30 CHEDHN COCc1ccccc1/C=C(/C)CNCC(C)(C)CC#N ZINC000459731951 331296504 /nfs/dbraw/zinc/29/65/04/331296504.db2.gz NYLVBUHQLAKRSL-PTNGSMBKSA-N 0 3 286.419 3.766 20 30 CHEDHN CC#CCCN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000462337040 331319927 /nfs/dbraw/zinc/31/99/27/331319927.db2.gz RPBBZGSJMOQSCN-HNNXBMFYSA-N 0 3 291.822 3.844 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000462607996 331323911 /nfs/dbraw/zinc/32/39/11/331323911.db2.gz SQYWVYYIYVWSMG-HOTGVXAUSA-N 0 3 292.382 3.936 20 30 CHEDHN CC(C)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000463296391 331345727 /nfs/dbraw/zinc/34/57/27/331345727.db2.gz TYJNSJWCWLYPCP-DOTOQJQBSA-N 0 3 256.393 3.982 20 30 CHEDHN CC(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C(F)(F)F ZINC000463417191 331347376 /nfs/dbraw/zinc/34/73/76/331347376.db2.gz VNSXHJKOMQRJTI-VIFPVBQESA-N 0 3 284.281 3.625 20 30 CHEDHN C=CCOc1cccc(CN[C@H](C)CC(F)(F)F)c1 ZINC000463714445 331350744 /nfs/dbraw/zinc/35/07/44/331350744.db2.gz BJWBSDXJTINVBO-LLVKDONJSA-N 0 3 273.298 3.682 20 30 CHEDHN CCCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464838893 331370572 /nfs/dbraw/zinc/37/05/72/331370572.db2.gz ZPXNFRHOEWQHII-IAGOWNOFSA-N 0 3 256.393 3.948 20 30 CHEDHN CCCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464838895 331370582 /nfs/dbraw/zinc/37/05/82/331370582.db2.gz ZPXNFRHOEWQHII-SJORKVTESA-N 0 3 256.393 3.948 20 30 CHEDHN CCCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000464838892 331370691 /nfs/dbraw/zinc/37/06/91/331370691.db2.gz ZPXNFRHOEWQHII-DLBZAZTESA-N 0 3 256.393 3.948 20 30 CHEDHN CCC[C@]1(C)CCCN(Cc2ccccc2C#N)C1 ZINC000464843738 331371016 /nfs/dbraw/zinc/37/10/16/331371016.db2.gz YZVKWFVXPLKMLD-QGZVFWFLSA-N 0 3 256.393 3.960 20 30 CHEDHN CC(C)c1ccc(CCN2CCC(C)(C#N)CC2)cc1 ZINC000470312436 331479213 /nfs/dbraw/zinc/47/92/13/331479213.db2.gz FOMSFVMHRNMRDS-UHFFFAOYSA-N 0 3 270.420 3.978 20 30 CHEDHN C=CC1CCN(Cc2ccnn2-c2ccccc2C)CC1 ZINC000474268049 331577684 /nfs/dbraw/zinc/57/76/84/331577684.db2.gz HCOLWOJRKMMBNA-UHFFFAOYSA-N 0 3 281.403 3.579 20 30 CHEDHN C=CCCCCNCc1cccc(Br)c1OC ZINC000479481900 331732509 /nfs/dbraw/zinc/73/25/09/331732509.db2.gz UMNIZBIQHNWDCN-UHFFFAOYSA-N 0 3 298.224 3.904 20 30 CHEDHN C=C[C@@H](C)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000480308342 331767482 /nfs/dbraw/zinc/76/74/82/331767482.db2.gz HJGADIRYKRTOOX-SNVBAGLBSA-N 0 3 263.287 3.889 20 30 CHEDHN C=CC[C@@H](C)NCc1ccc(Sc2ccccn2)o1 ZINC000511081682 332926304 /nfs/dbraw/zinc/92/63/04/332926304.db2.gz NYUKLWNXWZSOLC-GFCCVEGCSA-N 0 3 274.389 3.880 20 30 CHEDHN C=CCC[C@H](C)NCc1nc2cccc(Cl)c2n1C ZINC000480698252 331785044 /nfs/dbraw/zinc/78/50/44/331785044.db2.gz NEBRBFJEWPAFME-NSHDSACASA-N 0 3 277.799 3.671 20 30 CHEDHN C[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000481027399 331795209 /nfs/dbraw/zinc/79/52/09/331795209.db2.gz VDNUAYWGIOQSJK-NHYWBVRUSA-N 0 3 262.784 3.880 20 30 CHEDHN C=C(C)[C@H](NC[C@H](O)CCC(C)C)c1ccc(F)c(F)c1 ZINC000482860128 331848803 /nfs/dbraw/zinc/84/88/03/331848803.db2.gz UHNKEOWPISEVNU-PBHICJAKSA-N 0 3 297.389 3.969 20 30 CHEDHN Oc1ccc(C2CCN(CC#Cc3ccccc3)CC2)cc1 ZINC000483541745 331878924 /nfs/dbraw/zinc/87/89/24/331878924.db2.gz HFXOWPACJCIYGR-UHFFFAOYSA-N 0 3 291.394 3.623 20 30 CHEDHN N#CCC[C@@H](NC/C=C/c1ccncc1)c1ccccc1 ZINC000487576206 331975869 /nfs/dbraw/zinc/97/58/69/331975869.db2.gz SVVUQXCOQNZDKG-DUMMIQTOSA-N 0 3 277.371 3.729 20 30 CHEDHN C=CCCCCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000488151074 331992165 /nfs/dbraw/zinc/99/21/65/331992165.db2.gz OUOROVPBMDSUIM-CYBMUJFWSA-N 0 3 262.353 3.992 20 30 CHEDHN CCCCOC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488448307 332010178 /nfs/dbraw/zinc/01/01/78/332010178.db2.gz ZHYHDAXKJZFWND-UHFFFAOYSA-N 0 3 286.419 3.648 20 30 CHEDHN Cc1cc(CN2CCCC[C@@H]2c2cccn2C)ccc1C#N ZINC000488466403 332011862 /nfs/dbraw/zinc/01/18/62/332011862.db2.gz QBNLVKLRPZSYDJ-LJQANCHMSA-N 0 3 293.414 3.932 20 30 CHEDHN Cc1cc(CN2CC[C@H](CC(F)(F)F)C2)ccc1C#N ZINC000489044107 332039079 /nfs/dbraw/zinc/03/90/79/332039079.db2.gz PKTQKFYUWQQLDM-CYBMUJFWSA-N 0 3 282.309 3.641 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccc(OCC)cc1 ZINC000491342566 332193883 /nfs/dbraw/zinc/19/38/83/332193883.db2.gz JRKADLZYTSSTFS-UHFFFAOYSA-N 0 3 285.387 3.909 20 30 CHEDHN C#CCN(Cc1ccc(-c2ccccn2)nc1)C1CCCC1 ZINC000491771741 332338217 /nfs/dbraw/zinc/33/82/17/332338217.db2.gz PEAOPTRVROMDQV-UHFFFAOYSA-N 0 3 291.398 3.521 20 30 CHEDHN C=CCC[C@@H](O)CN[C@H](CC)c1ccc(Cl)s1 ZINC000541627568 333784661 /nfs/dbraw/zinc/78/46/61/333784661.db2.gz QFASUXZNOMMHQB-GHMZBOCLSA-N 0 3 273.829 3.769 20 30 CHEDHN C=C(CC)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494493461 332475773 /nfs/dbraw/zinc/47/57/73/332475773.db2.gz IMBLCVNHFGXOIH-LSDHHAIUSA-N 0 3 265.784 3.726 20 30 CHEDHN C=CCCc1ccccc1NC(=O)[C@H](C)NC(C)(C)CC ZINC000504277765 332707263 /nfs/dbraw/zinc/70/72/63/332707263.db2.gz YKUYENSJBZOXCB-AWEZNQCLSA-N 0 3 288.435 3.910 20 30 CHEDHN Cc1cc(OCc2ccc(C#N)c(F)c2)c(C)c(C)n1 ZINC000573020233 334901499 /nfs/dbraw/zinc/90/14/99/334901499.db2.gz DNUBOEMUDQFSIM-UHFFFAOYSA-N 0 3 270.307 3.597 20 30 CHEDHN C=CCOc1ccc(CNCc2cc(F)ccc2C)cc1 ZINC000512574047 332973928 /nfs/dbraw/zinc/97/39/28/332973928.db2.gz PTFGNTCKAGEZDH-UHFFFAOYSA-N 0 3 285.362 3.989 20 30 CHEDHN C[C@H](NCC1(C2CC2)CCC1)c1ccc(C#N)cc1F ZINC000512631911 332976686 /nfs/dbraw/zinc/97/66/86/332976686.db2.gz UREKYNDYYZEZPQ-LBPRGKRZSA-N 0 3 272.367 3.928 20 30 CHEDHN C=CCCCCCN[C@@H](C)c1c(F)cncc1F ZINC000513267056 333011587 /nfs/dbraw/zinc/01/15/87/333011587.db2.gz NXXGSSAWOROEAG-NSHDSACASA-N 0 3 254.324 3.757 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000513472554 333021393 /nfs/dbraw/zinc/02/13/93/333021393.db2.gz HGLXCQAAKDBOER-KRWDZBQOSA-N 0 3 280.346 3.687 20 30 CHEDHN N#Cc1ccc(CNCc2cccc(C3CC3)c2)cc1F ZINC000404760881 333025666 /nfs/dbraw/zinc/02/56/66/333025666.db2.gz NTZJIVRNUMFTQF-UHFFFAOYSA-N 0 3 280.346 3.865 20 30 CHEDHN CC#CCCNCc1ccccc1OCc1ccccc1 ZINC000309832660 333050224 /nfs/dbraw/zinc/05/02/24/333050224.db2.gz SOFINGHGRLQSBR-UHFFFAOYSA-N 0 3 279.383 3.769 20 30 CHEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000178053705 333067124 /nfs/dbraw/zinc/06/71/24/333067124.db2.gz UKBCLBUAACNUNW-HZPDHXFCSA-N 0 3 279.811 3.804 20 30 CHEDHN CCCC[C@@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000312115000 333076706 /nfs/dbraw/zinc/07/67/06/333076706.db2.gz OZGZKXWRQDFKDN-CYBMUJFWSA-N 0 3 260.381 3.577 20 30 CHEDHN CC(C)COc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185792997 333149009 /nfs/dbraw/zinc/14/90/09/333149009.db2.gz NTOUECNWMJBEAJ-NVXWUHKLSA-N 0 3 286.419 3.893 20 30 CHEDHN C[C@H](NC/C=C\c1ccccc1)c1ccc(C#N)cc1 ZINC000220554738 333167590 /nfs/dbraw/zinc/16/75/90/333167590.db2.gz BJCJEZNNQVOPCQ-KKTNHOPESA-N 0 3 262.356 3.922 20 30 CHEDHN C=CCN(CCC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000521715370 333184681 /nfs/dbraw/zinc/18/46/81/333184681.db2.gz PVTXKQSXLHBCGU-UHFFFAOYSA-N 0 3 262.353 3.629 20 30 CHEDHN C=C1CCN(CCCOc2cccc(Cl)c2)CC1 ZINC000521743100 333186493 /nfs/dbraw/zinc/18/64/93/333186493.db2.gz BMIWANJIDMKVBX-UHFFFAOYSA-N 0 3 265.784 3.761 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000189340423 333190545 /nfs/dbraw/zinc/19/05/45/333190545.db2.gz PBGPULNHLKDZRF-CQSZACIVSA-N 0 3 262.356 3.678 20 30 CHEDHN CC1(C)CN(CCCSCC#N)CC[C@H]1C(F)(F)F ZINC000190204862 333204492 /nfs/dbraw/zinc/20/44/92/333204492.db2.gz LEISNHSENOTVOX-LLVKDONJSA-N 0 3 294.386 3.544 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CC2)cc1F ZINC000190402054 333206298 /nfs/dbraw/zinc/20/62/98/333206298.db2.gz HBLUWPBVYCAUKW-GOSISDBHSA-N 0 3 280.346 3.938 20 30 CHEDHN C[C@H](c1ccccc1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000191892710 333226916 /nfs/dbraw/zinc/22/69/16/333226916.db2.gz YKKKVALMFPPBIK-CYBMUJFWSA-N 0 3 268.335 3.890 20 30 CHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCC[C@H]1C ZINC000522035540 333231026 /nfs/dbraw/zinc/23/10/26/333231026.db2.gz XZLQCIGMXPEUDB-HZPDHXFCSA-N 0 3 291.435 3.976 20 30 CHEDHN CCC1(CNCc2ccc(C#N)cc2F)CCCC1 ZINC000227598900 333286466 /nfs/dbraw/zinc/28/64/66/333286466.db2.gz OGXPWGBQLWGDLX-UHFFFAOYSA-N 0 3 260.356 3.757 20 30 CHEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000522995752 333303880 /nfs/dbraw/zinc/30/38/80/333303880.db2.gz GIDXAKXEBSOTEO-UONOGXRCSA-N 0 3 294.354 3.816 20 30 CHEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000229413825 333304683 /nfs/dbraw/zinc/30/46/83/333304683.db2.gz XSNJJZJFPYZTRI-FRRDWIJNSA-N 0 3 260.356 3.564 20 30 CHEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000037150713 333501772 /nfs/dbraw/zinc/50/17/72/333501772.db2.gz GFKCWFUBWCCFGX-AWEZNQCLSA-N 0 3 283.371 3.808 20 30 CHEDHN C=C(C)COCCNCc1c2ccccc2oc1CC ZINC000125820227 333575772 /nfs/dbraw/zinc/57/57/72/333575772.db2.gz CFTXBQZDVNFOAG-UHFFFAOYSA-N 0 3 273.376 3.678 20 30 CHEDHN C=C(CC)CNC1(c2nc(C)cs2)CCCC1 ZINC000539116388 333659052 /nfs/dbraw/zinc/65/90/52/333659052.db2.gz YYNLYXJUPAWTOU-UHFFFAOYSA-N 0 3 250.411 3.777 20 30 CHEDHN CC(C)Oc1ccccc1[C@H](C)NCCCSCC#N ZINC000539223704 333662044 /nfs/dbraw/zinc/66/20/44/333662044.db2.gz KBLLJTFIFBTJSK-AWEZNQCLSA-N 0 3 292.448 3.771 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2cccs2)C2CC2)s1 ZINC000539415777 333670604 /nfs/dbraw/zinc/67/06/04/333670604.db2.gz SGGHAUGCYSAVPQ-CQSZACIVSA-N 0 3 274.414 3.922 20 30 CHEDHN C=C(C)CN1CCC(Nc2ncc(C(C)C)s2)CC1 ZINC000544394633 333928939 /nfs/dbraw/zinc/92/89/39/333928939.db2.gz FDUXHAYDPVEEAT-UHFFFAOYSA-N 0 3 279.453 3.719 20 30 CHEDHN C=C[C@@H](C)N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133258262 334031226 /nfs/dbraw/zinc/03/12/26/334031226.db2.gz GKIIRPFXSWDICI-RNCFNFMXSA-N 0 3 270.298 3.642 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H](C)c1oc2ccc(C)cc2c1CC ZINC000546685942 334045578 /nfs/dbraw/zinc/04/55/78/334045578.db2.gz FTUGZTOHTHYVLU-KBPBESRZSA-N 0 3 287.403 3.891 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000546690660 334046044 /nfs/dbraw/zinc/04/60/44/334046044.db2.gz SNLSNZRSECRHSC-LBPRGKRZSA-N 0 3 278.346 3.694 20 30 CHEDHN CCC(CC)(CNCc1ccc(C#N)o1)c1ccccc1 ZINC000236905337 334076790 /nfs/dbraw/zinc/07/67/90/334076790.db2.gz RMAWJJDUWCZPIM-UHFFFAOYSA-N 0 3 282.387 3.999 20 30 CHEDHN C=CCCCCNCc1cnc(-c2ccccc2)nc1 ZINC000547436060 334088320 /nfs/dbraw/zinc/08/83/20/334088320.db2.gz ZHHOVFVNUQLGAI-UHFFFAOYSA-N 0 3 267.376 3.590 20 30 CHEDHN C=CCC[C@@H](C)N[C@H](C)c1cc(F)ccc1OC ZINC000135720585 334137107 /nfs/dbraw/zinc/13/71/07/334137107.db2.gz FQRMXFSWNVZBKG-VXGBXAGGSA-N 0 3 251.345 3.840 20 30 CHEDHN Cc1ccc(C)c(OCCN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000549167372 334186926 /nfs/dbraw/zinc/18/69/26/334186926.db2.gz ZLHHWJXQOQPADD-MRXNPFEDSA-N 0 3 294.398 3.905 20 30 CHEDHN C=C(CC)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000551419155 334249990 /nfs/dbraw/zinc/24/99/90/334249990.db2.gz LGUINGCDGGJXIE-CQSZACIVSA-N 0 3 295.224 3.851 20 30 CHEDHN C[C@@H](CCc1cccc(F)c1)N(C)CC(C)(C)C#N ZINC000552084887 334287145 /nfs/dbraw/zinc/28/71/45/334287145.db2.gz DAAKGIKPOPPBRQ-ZDUSSCGKSA-N 0 3 262.372 3.628 20 30 CHEDHN CCN(C[C@@H](C)C#N)[C@H](C)CCc1cccc(F)c1 ZINC000248396425 334299808 /nfs/dbraw/zinc/29/98/08/334299808.db2.gz ZYPLQVGQCMUFQH-UONOGXRCSA-N 0 3 262.372 3.628 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249953172 334342307 /nfs/dbraw/zinc/34/23/07/334342307.db2.gz VJPUSILAFQLTGD-IKGGRYGDSA-N 0 3 256.393 3.779 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(SC)c(OC)c1 ZINC000090451326 334361430 /nfs/dbraw/zinc/36/14/30/334361430.db2.gz UELYNABUXCCECP-CYBMUJFWSA-N 0 3 295.448 3.660 20 30 CHEDHN N#CCCCNCc1cc2cc(Br)ccc2o1 ZINC000566926137 334669875 /nfs/dbraw/zinc/66/98/75/334669875.db2.gz IEGPGIFJAOVTEE-UHFFFAOYSA-N 0 3 293.164 3.589 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000567733673 334756565 /nfs/dbraw/zinc/75/65/65/334756565.db2.gz LGWGQPOXFVSNCF-SFHVURJKSA-N 0 3 280.346 3.669 20 30 CHEDHN COc1cccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000568776630 334840606 /nfs/dbraw/zinc/84/06/06/334840606.db2.gz WOQZDFNXCRYADC-DJJJIMSYSA-N 0 3 292.382 3.905 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000163524033 334869412 /nfs/dbraw/zinc/86/94/12/334869412.db2.gz VOYHSJPFCNQQIA-LLVKDONJSA-N 0 3 271.763 3.722 20 30 CHEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000343819846 335220515 /nfs/dbraw/zinc/22/05/15/335220515.db2.gz OLINJIMKPRSBCI-GOSISDBHSA-N 0 3 264.372 3.994 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)cn1)C(C)(C)c1ccccc1 ZINC000580565570 335287820 /nfs/dbraw/zinc/28/78/20/335287820.db2.gz AKBHROGUNGLJJZ-SFHVURJKSA-N 0 3 293.414 3.799 20 30 CHEDHN C=CCCNC(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000176866975 335335782 /nfs/dbraw/zinc/33/57/82/335335782.db2.gz MRWDMLPZHYYOLU-UHFFFAOYSA-N 0 3 297.398 3.959 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOCC1CCC1 ZINC000577572165 335370865 /nfs/dbraw/zinc/37/08/65/335370865.db2.gz KSXLNGKVTYKTCB-IBGZPJMESA-N 0 3 298.430 3.732 20 30 CHEDHN Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1F ZINC000577665829 335387174 /nfs/dbraw/zinc/38/71/74/335387174.db2.gz FVBUZNNCWJKVTM-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN C[C@@H]1C[C@@H]1[C@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000180018671 335541426 /nfs/dbraw/zinc/54/14/26/335541426.db2.gz LUZCTYWFSTXKEO-BYCMXARLSA-N 0 3 262.784 3.930 20 30 CHEDHN N#CCCCN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180302268 335567940 /nfs/dbraw/zinc/56/79/40/335567940.db2.gz LDRCBNYFDLGUQT-INIZCTEOSA-N 0 3 260.356 3.950 20 30 CHEDHN C=CCN[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000180691717 335617757 /nfs/dbraw/zinc/61/77/57/335617757.db2.gz YBDYVDXGKXQZMQ-IBGZPJMESA-N 0 3 297.398 3.763 20 30 CHEDHN C[C@@H](C#N)CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000579763697 335880473 /nfs/dbraw/zinc/88/04/73/335880473.db2.gz GWUKWBZQFBKCLF-WDEREUQCSA-N 0 3 270.298 3.558 20 30 CHEDHN COc1cccc2c1CCC[C@H]2NCc1cccc(C#N)c1 ZINC000194845907 336039380 /nfs/dbraw/zinc/03/93/80/336039380.db2.gz ATFGJRIJJYJKNJ-GOSISDBHSA-N 0 3 292.382 3.734 20 30 CHEDHN Cc1ccc(C2CC(NCc3ccc(C#N)s3)C2)cc1 ZINC000421355568 518188642 /nfs/dbraw/zinc/18/86/42/518188642.db2.gz ZSRDSZUXIHHLNP-UHFFFAOYSA-N 0 3 282.412 3.964 20 30 CHEDHN CCCC[C@H](COC)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271963194 521200357 /nfs/dbraw/zinc/20/03/57/521200357.db2.gz RRMSFZIBERIJDI-SWLSCSKDSA-N 0 3 278.371 3.553 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000080932838 521299892 /nfs/dbraw/zinc/29/98/92/521299892.db2.gz PNRBREWOHGGOQS-AWEZNQCLSA-N 0 3 280.371 3.847 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1cccc(F)c1 ZINC000353606792 522871611 /nfs/dbraw/zinc/87/16/11/522871611.db2.gz FFZAJKXMVDDOMY-QGZVFWFLSA-N 0 3 298.361 3.947 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278351065 522878019 /nfs/dbraw/zinc/87/80/19/522878019.db2.gz ZCQOTHFLRKZSKJ-GOSISDBHSA-N 0 3 280.371 3.808 20 30 CHEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000338563977 523952799 /nfs/dbraw/zinc/95/27/99/523952799.db2.gz OVEJJEUCTFTXFS-FZKQIMNGSA-N 0 3 298.361 3.736 20 30 CHEDHN C[C@@H]1CCN(Cc2ccccc2C#N)CC12CCC2 ZINC000357018704 524514951 /nfs/dbraw/zinc/51/49/51/524514951.db2.gz BAZYIXVGLGWHAR-CQSZACIVSA-N 0 3 254.377 3.570 20 30 CHEDHN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1C ZINC000266202028 525323792 /nfs/dbraw/zinc/32/37/92/525323792.db2.gz LKRNMRMNEVSQMT-CQSZACIVSA-N 0 3 280.371 3.732 20 30 CHEDHN C[C@@H](NC[C@H](c1cccs1)N(C)C)c1cccc(C#N)c1 ZINC000037234638 525498799 /nfs/dbraw/zinc/49/87/99/525498799.db2.gz NIEKJWUCMVKVHT-CZUORRHYSA-N 0 3 299.443 3.573 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(C#N)cc1 ZINC000036991934 525649745 /nfs/dbraw/zinc/64/97/45/525649745.db2.gz PHPCDGNTBYTMBA-SJKOYZFVSA-N 0 3 278.355 3.602 20 30 CHEDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000036991780 525940860 /nfs/dbraw/zinc/94/08/60/525940860.db2.gz XDIVXJDJJYLSKI-KGLIPLIRSA-N 0 3 280.371 3.984 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@H](C)C1 ZINC000289370870 526072788 /nfs/dbraw/zinc/07/27/88/526072788.db2.gz BHBKDMNAPRYYMA-VXGBXAGGSA-N 0 3 264.319 3.596 20 30 CHEDHN Cc1ccc2c(c1)CC[C@H]2NCc1cccc(C#N)c1 ZINC000299306791 526157491 /nfs/dbraw/zinc/15/74/91/526157491.db2.gz CQILHKFCRKGXQP-GOSISDBHSA-N 0 3 262.356 3.644 20 30 CHEDHN C=C(C)COc1cc(CN2CCC23CCC3)ccc1OC ZINC000353667694 526660440 /nfs/dbraw/zinc/66/04/40/526660440.db2.gz DMYMIQOJVMPPQD-UHFFFAOYSA-N 0 3 287.403 3.779 20 30 CHEDHN N#Cc1cccc(CN[C@@H](c2cccnc2)C2CCC2)c1 ZINC000280220266 526709497 /nfs/dbraw/zinc/70/94/97/526709497.db2.gz GISRPNZJWDQLHJ-GOSISDBHSA-N 0 3 277.371 3.584 20 30 CHEDHN C=CCOCCCN1CCC[C@H]1c1cccc(F)c1 ZINC000347958908 526754338 /nfs/dbraw/zinc/75/43/38/526754338.db2.gz DCBSTLDOEXBDGE-INIZCTEOSA-N 0 3 263.356 3.555 20 30 CHEDHN C=CCOc1ccc(CN2[C@H](C)CC[C@@H]2C)cc1OC ZINC000354990253 526874890 /nfs/dbraw/zinc/87/48/90/526874890.db2.gz QTGIGVYRRHGTCS-OKILXGFUSA-N 0 3 275.392 3.633 20 30 CHEDHN C=CCC[C@@H](NCCc1cccc(OC)n1)c1ccco1 ZINC000353536830 527447026 /nfs/dbraw/zinc/44/70/26/527447026.db2.gz YIRWQSYSXJKFQK-OAHLLOKOSA-N 0 3 286.375 3.523 20 30 CHEDHN C=CCC[C@H](N[C@H](C)C[C@H]1CCCO1)c1ccco1 ZINC000353494459 527488575 /nfs/dbraw/zinc/48/85/75/527488575.db2.gz CUWLYZXUEXJXCM-KFWWJZLASA-N 0 3 263.381 3.834 20 30 CHEDHN CC1(C2CC2)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000352201930 527904925 /nfs/dbraw/zinc/90/49/25/527904925.db2.gz WFLUJEOFNHXTBC-UHFFFAOYSA-N 0 3 272.367 3.709 20 30 CHEDHN CC(C)n1nccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353912778 528678716 /nfs/dbraw/zinc/67/87/16/528678716.db2.gz GKRIESVVHNKPGJ-GOSISDBHSA-N 0 3 296.418 3.989 20 30 CHEDHN CCC(CC)CN(CCC#N)CC[C@H]1CCCCO1 ZINC000347449548 528750440 /nfs/dbraw/zinc/75/04/40/528750440.db2.gz WZANCBQYKOZORN-MRXNPFEDSA-N 0 3 266.429 3.597 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000356060655 528770845 /nfs/dbraw/zinc/77/08/45/528770845.db2.gz RNVDKNHPSYVIPX-UHFFFAOYSA-N 0 3 268.282 3.561 20 30 CHEDHN CC1(C#N)CCC(N[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000335281347 528832880 /nfs/dbraw/zinc/83/28/80/528832880.db2.gz NCPQCBADPPDSHO-ODZFXCKXSA-N 0 3 272.367 3.686 20 30 CHEDHN CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)C#N ZINC000344901674 528942942 /nfs/dbraw/zinc/94/29/42/528942942.db2.gz FIMKTRVSBKEAGY-NSHDSACASA-N 0 3 298.308 3.602 20 30 CHEDHN CCN(C(=O)C(C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000347063841 529032724 /nfs/dbraw/zinc/03/27/24/529032724.db2.gz HTZDXPSPZPQRAR-RYUDHWBXSA-N 0 3 270.332 3.502 20 30 CHEDHN CCS[C@@H]1CCCCN(Cc2ccccc2C#N)C1 ZINC000353589505 529206244 /nfs/dbraw/zinc/20/62/44/529206244.db2.gz HDXYNMHRGQJHTK-MRXNPFEDSA-N 0 3 274.433 3.666 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccccc2)cc1 ZINC000045944692 570412545 /nfs/dbraw/zinc/41/25/45/570412545.db2.gz CTOACUMJKMACDW-HNNXBMFYSA-N 0 3 265.356 3.549 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734571 607014740 /nfs/dbraw/zinc/01/47/40/607014740.db2.gz RLWICEMLVMREFC-BBRMVZONSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734571 607014741 /nfs/dbraw/zinc/01/47/41/607014741.db2.gz RLWICEMLVMREFC-BBRMVZONSA-N 0 3 299.422 3.652 20 30 CHEDHN C[C@H](c1ccccc1)[C@H](C)NCC1(C#N)CCCC1 ZINC000589166730 1120066271 /nfs/dbraw/zinc/06/62/71/1120066271.db2.gz QGFWAMBZZUXZIZ-GJZGRUSLSA-N 0 3 256.393 3.852 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000577815972 1122382013 /nfs/dbraw/zinc/38/20/13/1122382013.db2.gz DXCKUVAQYIQLLO-OSAQELSMSA-N 0 3 262.784 3.725 20 30 CHEDHN CC(C)[C@H]1N(Cc2cc(C#N)cs2)CC12CCC2 ZINC000430097438 1122403254 /nfs/dbraw/zinc/40/32/54/1122403254.db2.gz QXFDUJCRZATRLX-CQSZACIVSA-N 0 3 260.406 3.630 20 30 CHEDHN CCCCCN(CCCOC)Cc1ccc(F)cc1C#N ZINC000505906779 1122599403 /nfs/dbraw/zinc/59/94/03/1122599403.db2.gz PYQIZVRTWAQWDX-UHFFFAOYSA-N 0 3 292.398 3.726 20 30 CHEDHN CCCCCCCN1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC001197673856 1122964656 /nfs/dbraw/zinc/96/46/56/1122964656.db2.gz ZPGNEANQVBENLW-GOEBONIOSA-N 0 3 287.419 3.570 20 30 CHEDHN C=CCCCN1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000441449730 1123128645 /nfs/dbraw/zinc/12/86/45/1123128645.db2.gz OKSDCROYILQYKD-RDJZCZTQSA-N 0 3 259.393 3.723 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)s2)C1 ZINC000872108681 1124685406 /nfs/dbraw/zinc/68/54/06/1124685406.db2.gz WQODAOJKZPJMRA-VHSXEESVSA-N 0 3 288.338 3.939 20 30 CHEDHN C=CCN(Cc1ccc(N2CCCC2)o1)C(C)(C)C ZINC001137070617 1124759546 /nfs/dbraw/zinc/75/95/46/1124759546.db2.gz OJFDBCMFADFDLP-UHFFFAOYSA-N 0 3 262.397 3.666 20 30 CHEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)C1CCC1 ZINC000877565660 1125045900 /nfs/dbraw/zinc/04/59/00/1125045900.db2.gz MMAYFVHABFMLCY-UHFFFAOYSA-N 0 3 277.799 3.523 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc(OC)cn1 ZINC001144424339 1131631580 /nfs/dbraw/zinc/63/15/80/1131631580.db2.gz ZTXZOKLVFICFJN-UHFFFAOYSA-N 0 3 264.413 3.883 20 30 CHEDHN C[C@H]1C[C@H](C)CN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140602175 1131822311 /nfs/dbraw/zinc/82/23/11/1131822311.db2.gz FYPQSSUHPJRDIR-RYUDHWBXSA-N 0 3 262.784 3.690 20 30 CHEDHN CC(C)[C@@H]1CCCN1Cc1cccc(C#N)c1Cl ZINC001140813067 1131931630 /nfs/dbraw/zinc/93/16/30/1131931630.db2.gz VPARJIQSMVBPEG-AWEZNQCLSA-N 0 3 262.784 3.832 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2cc(OC)ccc2F)C1 ZINC001206598578 1133725694 /nfs/dbraw/zinc/72/56/94/1133725694.db2.gz UHWQCEOXGQGXTD-CYBMUJFWSA-N 0 3 263.356 3.622 20 30 CHEDHN COC(C)(C)CCC[C@@H](C)CCN1CC[C@@](C)(C#N)C1 ZINC001208214519 1133909737 /nfs/dbraw/zinc/90/97/37/1133909737.db2.gz TZWCHOKELLUWJQ-WBVHZDCISA-N 0 3 280.456 3.843 20 30 CHEDHN C=CCCCCCCCN1CCc2cccnc2C1 ZINC001209441667 1134022604 /nfs/dbraw/zinc/02/26/04/1134022604.db2.gz JHFAEFSMUJZHKL-UHFFFAOYSA-N 0 3 258.409 3.966 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000536629403 1125510446 /nfs/dbraw/zinc/51/04/46/1125510446.db2.gz DEJUDGPQABPKIU-IBGZPJMESA-N 0 3 294.398 3.984 20 30 CHEDHN CCN(Cc1ccncc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000294767741 1125528022 /nfs/dbraw/zinc/52/80/22/1125528022.db2.gz JEWQPDNCTSGJFT-OAHLLOKOSA-N 0 3 279.387 3.845 20 30 CHEDHN C=C(C)CCN1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000509679431 1125574320 /nfs/dbraw/zinc/57/43/20/1125574320.db2.gz HSWBVLFARCPUGV-WBVHZDCISA-N 0 3 259.393 3.723 20 30 CHEDHN CSc1ccc(CNCc2sccc2C)cc1C#N ZINC000886278559 1125665653 /nfs/dbraw/zinc/66/56/53/1125665653.db2.gz COGIDANQFXJEMN-UHFFFAOYSA-N 0 3 288.441 3.940 20 30 CHEDHN C#CCC1(NCc2cc(Cl)ccc2Cl)CCOCC1 ZINC000886379014 1125675392 /nfs/dbraw/zinc/67/53/92/1125675392.db2.gz JVHPUVHKWCCHAN-UHFFFAOYSA-N 0 3 298.213 3.656 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000248898582 1125675373 /nfs/dbraw/zinc/67/53/73/1125675373.db2.gz UFENXRGTXUQQKT-XNRPHZJLSA-N 0 3 288.366 3.711 20 30 CHEDHN COc1cc(C)c([C@H](C)N2CCC(C)(C#N)CC2)cc1C ZINC000614964047 1125700719 /nfs/dbraw/zinc/70/07/19/1125700719.db2.gz UCEMKBXJQKIQDO-HNNXBMFYSA-N 0 3 286.419 3.999 20 30 CHEDHN CCn1c2ccccc2nc1[C@H]1CCCN1CCCCC#N ZINC000084131599 1125727091 /nfs/dbraw/zinc/72/70/91/1125727091.db2.gz DGCRUNIKNMKTAX-QGZVFWFLSA-N 0 3 296.418 3.887 20 30 CHEDHN C=CCC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1 ZINC000090580670 1125743988 /nfs/dbraw/zinc/74/39/88/1125743988.db2.gz JMNKDFGYDNHDRI-WMLDXEAASA-N 0 3 269.392 3.778 20 30 CHEDHN CCCC[C@@H](COC)N[C@@H](CCC#N)c1ccccc1 ZINC000090665297 1125744400 /nfs/dbraw/zinc/74/44/00/1125744400.db2.gz WHINXKKRHNSEEF-IRXDYDNUSA-N 0 3 274.408 3.826 20 30 CHEDHN CC(C)(CCC#N)CN1CCc2cccc(F)c2C1 ZINC000093454347 1125769490 /nfs/dbraw/zinc/76/94/90/1125769490.db2.gz FVKKZVBXNAHVGJ-UHFFFAOYSA-N 0 3 260.356 3.514 20 30 CHEDHN C=CC[C@@H](CC)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788814290 1130215330 /nfs/dbraw/zinc/21/53/30/1130215330.db2.gz KXJCFMBAXXVFRK-TZMCWYRMSA-N 0 3 265.784 3.856 20 30 CHEDHN CC[C@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000338395743 1126739611 /nfs/dbraw/zinc/73/96/11/1126739611.db2.gz WVAIHELKCLROCB-HNNXBMFYSA-N 0 3 267.376 3.575 20 30 CHEDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(C#N)c1 ZINC000174429970 1126769701 /nfs/dbraw/zinc/76/97/01/1126769701.db2.gz FEFJQUYGYOBDHM-ZDUSSCGKSA-N 0 3 297.377 3.614 20 30 CHEDHN C[C@@H](Cc1ccccc1Cl)NCC1(C#N)CCCC1 ZINC001170248559 1130472702 /nfs/dbraw/zinc/47/27/02/1130472702.db2.gz UQMANNXELYVFHC-ZDUSSCGKSA-N 0 3 276.811 3.945 20 30 CHEDHN C[C@@H]1CC[C@H](NCc2cc(C#N)n(C)c2)c2ccccc21 ZINC000191472869 1126952156 /nfs/dbraw/zinc/95/21/56/1126952156.db2.gz ULSZBZHRWZWRGN-ACJLOTCBSA-N 0 3 279.387 3.625 20 30 CHEDHN Cc1cc(CN2CCC[C@H]2c2ccc[nH]2)ccc1C#N ZINC000488187611 1127060508 /nfs/dbraw/zinc/06/05/08/1127060508.db2.gz VWXUOMSHGAZAMY-KRWDZBQOSA-N 0 3 265.360 3.532 20 30 CHEDHN C=C(CN[C@H](C)c1cnn(C2CCC2)c1)c1ccccc1 ZINC000924840301 1127083550 /nfs/dbraw/zinc/08/35/50/1127083550.db2.gz CWJNXTFKBWLHKA-OAHLLOKOSA-N 0 3 281.403 3.972 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCSc3ccccc32)c1 ZINC000093492145 1127107619 /nfs/dbraw/zinc/10/76/19/1127107619.db2.gz IKYHQYJWWOFBQR-AWEZNQCLSA-N 0 3 286.425 3.946 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571689637 1127164747 /nfs/dbraw/zinc/16/47/47/1127164747.db2.gz YMIDAACGCVTXGU-HNNXBMFYSA-N 0 3 287.363 3.621 20 30 CHEDHN CC(C)[C@H](CNCc1nc(C#N)cs1)Cc1ccccc1 ZINC000571964709 1127183692 /nfs/dbraw/zinc/18/36/92/1127183692.db2.gz OZQUKGRFDOJRCQ-HNNXBMFYSA-N 0 3 299.443 3.619 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](C3CC3)C2)c(Cl)c1 ZINC000588978285 1127209396 /nfs/dbraw/zinc/20/93/96/1127209396.db2.gz UYSCQJLMADUWCN-CQSZACIVSA-N 0 3 274.795 3.834 20 30 CHEDHN C=CCC[C@H](CC)N[C@H](C)c1c(F)cncc1F ZINC000285726940 1127241832 /nfs/dbraw/zinc/24/18/32/1127241832.db2.gz QPGVCSXOJJGMLA-MNOVXSKESA-N 0 3 254.324 3.755 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285738366 1127242438 /nfs/dbraw/zinc/24/24/38/1127242438.db2.gz RGECNRMPJLZKPW-GARJFASQSA-N 0 3 254.324 3.611 20 30 CHEDHN CCS[C@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000352892966 1127249053 /nfs/dbraw/zinc/24/90/53/1127249053.db2.gz LTYRZGFJSQTNGX-CABCVRRESA-N 0 3 292.423 3.803 20 30 CHEDHN C=C(C)CN(CCC1CC1)Cc1cnn(C(C)C)c1 ZINC000352912823 1127250300 /nfs/dbraw/zinc/25/03/00/1127250300.db2.gz FCNGCDFEQJGCHA-UHFFFAOYSA-N 0 3 261.413 3.642 20 30 CHEDHN Cc1ccc(C)n1C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000352921577 1127251498 /nfs/dbraw/zinc/25/14/98/1127251498.db2.gz KBOGJIKYCPTRQA-UHFFFAOYSA-N 0 3 299.443 3.875 20 30 CHEDHN C=CCCN(C)Cc1ccc(Sc2ccccn2)o1 ZINC000353130889 1127261563 /nfs/dbraw/zinc/26/15/63/1127261563.db2.gz XUMSXYNIGLIOGL-UHFFFAOYSA-N 0 3 274.389 3.834 20 30 CHEDHN C#CC(C)(C)N(C)Cc1ccc(OCc2cccnc2)cc1 ZINC000286261730 1127264091 /nfs/dbraw/zinc/26/40/91/1127264091.db2.gz SUGWVCPWQXYKHY-UHFFFAOYSA-N 0 3 294.398 3.504 20 30 CHEDHN CC(C)c1ccc(CN2CCN(CCCCC#N)CC2)cc1 ZINC000057599349 1127267338 /nfs/dbraw/zinc/26/73/38/1127267338.db2.gz RZTDTMGTBOUUIC-UHFFFAOYSA-N 0 3 299.462 3.621 20 30 CHEDHN C#CCOc1ccccc1CN[C@H](C)c1cccc(C)c1 ZINC000157215779 1127280709 /nfs/dbraw/zinc/28/07/09/1127280709.db2.gz JVYFUEMJWNSCBI-MRXNPFEDSA-N 0 3 279.383 3.858 20 30 CHEDHN Cc1cc(CN2CCC(C#N)CC2)c(O)c(C(C)(C)C)c1 ZINC000057824092 1127284453 /nfs/dbraw/zinc/28/44/53/1127284453.db2.gz FGUGVTBGHKPZED-UHFFFAOYSA-N 0 3 286.419 3.734 20 30 CHEDHN C=CCCCCN(C)Cc1cnc(F)c(OC(C)C)c1 ZINC001238603834 1131221946 /nfs/dbraw/zinc/22/19/46/1131221946.db2.gz NWYKIFBQWKHPHP-UHFFFAOYSA-N 0 3 280.387 3.796 20 30 CHEDHN CC[C@@H](OCCN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000593022543 1127365049 /nfs/dbraw/zinc/36/50/49/1127365049.db2.gz ZWNBPQIAXWHSAN-QGZVFWFLSA-N 0 3 286.419 3.780 20 30 CHEDHN C[C@H](CCC#N)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000593067073 1127368397 /nfs/dbraw/zinc/36/83/97/1127368397.db2.gz RTKMVGIVSLJWAB-CHWSQXEVSA-N 0 3 276.811 3.994 20 30 CHEDHN C=C[C@@H](CO)N[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000289866340 1127385906 /nfs/dbraw/zinc/38/59/06/1127385906.db2.gz RFWSQKOYCUPHBM-FZMZJTMJSA-N 0 3 299.386 3.515 20 30 CHEDHN C[C@@H](CCc1cccc(F)c1)NCC1(C#N)CCCC1 ZINC000593653487 1127392752 /nfs/dbraw/zinc/39/27/52/1127392752.db2.gz MMNVOYCIEUHLOC-AWEZNQCLSA-N 0 3 274.383 3.820 20 30 CHEDHN N#CC1(CNC2CC(c3cc(F)cc(F)c3)C2)CCCC1 ZINC000593654736 1127394354 /nfs/dbraw/zinc/39/43/54/1127394354.db2.gz MBMNNIFLZVDHNK-UHFFFAOYSA-N 0 3 290.357 3.884 20 30 CHEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1F ZINC000593666830 1127393804 /nfs/dbraw/zinc/39/38/04/1127393804.db2.gz WGFQOKCYORUVSG-ZENOOKHLSA-N 0 3 260.356 3.949 20 30 CHEDHN C=CCCCNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000291107332 1127403898 /nfs/dbraw/zinc/40/38/98/1127403898.db2.gz JZZSKKRAANWAKG-UHFFFAOYSA-N 0 3 299.773 3.580 20 30 CHEDHN COC[C@@H](CC(C)C)N[C@H](CCC#N)c1ccccc1 ZINC000358330501 1127415396 /nfs/dbraw/zinc/41/53/96/1127415396.db2.gz QIGDVAVKRAPQLY-IAGOWNOFSA-N 0 3 274.408 3.682 20 30 CHEDHN CC(C)(C#N)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000594495341 1127418072 /nfs/dbraw/zinc/41/80/72/1127418072.db2.gz QVEBGRCHIPINCQ-UHFFFAOYSA-N 0 3 289.382 3.649 20 30 CHEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1cccc(O)c1 ZINC000594520089 1127420982 /nfs/dbraw/zinc/42/09/82/1127420982.db2.gz YRTBBYDWGWKPGZ-CQSZACIVSA-N 0 3 292.382 3.994 20 30 CHEDHN C=C(CC)CN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000358882130 1127437237 /nfs/dbraw/zinc/43/72/37/1127437237.db2.gz DROIGGLZSNRKPV-HNNXBMFYSA-N 0 3 282.391 3.575 20 30 CHEDHN C=CCCSCCNCc1cccc(OC2CC2)c1F ZINC000594968488 1127441461 /nfs/dbraw/zinc/44/14/61/1127441461.db2.gz PDQMRNRIMRABSZ-UHFFFAOYSA-N 0 3 295.423 3.766 20 30 CHEDHN C=CCC1(NCc2ncc(CSC)s2)CCCC1 ZINC000594987867 1127443639 /nfs/dbraw/zinc/44/36/39/1127443639.db2.gz LOWPZVPTCQTJKU-UHFFFAOYSA-N 0 3 282.478 3.985 20 30 CHEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccccc2C#N)C12CCC2 ZINC000594990482 1127444318 /nfs/dbraw/zinc/44/43/18/1127444318.db2.gz ZDEPTEGAZWACJQ-DLBZAZTESA-N 0 3 298.430 3.774 20 30 CHEDHN COc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1C ZINC000595105709 1127452907 /nfs/dbraw/zinc/45/29/07/1127452907.db2.gz PJDZUDRYRMYIFS-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN CC[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000595092453 1127454855 /nfs/dbraw/zinc/45/48/55/1127454855.db2.gz VUVHJAHMVIBGBV-OALUTQOASA-N 0 3 292.382 3.992 20 30 CHEDHN CC[C@@H](CC(F)F)CN(CCC#N)CC(C)(C)C ZINC000595327872 1127458185 /nfs/dbraw/zinc/45/81/85/1127458185.db2.gz DLOQVEJIJSDMND-LBPRGKRZSA-N 0 3 260.372 3.930 20 30 CHEDHN CC[C@@H](NCCc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000595430363 1127462903 /nfs/dbraw/zinc/46/29/03/1127462903.db2.gz JKQKMHWFQAYSSC-OAHLLOKOSA-N 0 3 285.416 3.607 20 30 CHEDHN N#CC[C@H]1CCCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000595619490 1127468420 /nfs/dbraw/zinc/46/84/20/1127468420.db2.gz BZGCITHTBIXESM-CXAGYDPISA-N 0 3 272.367 3.829 20 30 CHEDHN C[C@@H]1CC[C@]2(CCN(Cc3cccc(C#N)c3F)C2)C1 ZINC000359565474 1127467797 /nfs/dbraw/zinc/46/77/97/1127467797.db2.gz UWQFGOYFVDUHLL-DYVFJYSZSA-N 0 3 272.367 3.709 20 30 CHEDHN C[C@H]1CC[C@@]2(CCN(Cc3cccc(C#N)c3F)C2)C1 ZINC000359565476 1127468115 /nfs/dbraw/zinc/46/81/15/1127468115.db2.gz UWQFGOYFVDUHLL-SUMWQHHRSA-N 0 3 272.367 3.709 20 30 CHEDHN Cc1cccc(C)c1[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000595603571 1127470252 /nfs/dbraw/zinc/47/02/52/1127470252.db2.gz YURUADJRLVVXGC-GOSISDBHSA-N 0 3 291.398 3.907 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000595613202 1127470432 /nfs/dbraw/zinc/47/04/32/1127470432.db2.gz ARSSHTZIXCBDGN-OAHLLOKOSA-N 0 3 281.403 3.613 20 30 CHEDHN CC1(C)C[C@]1(NCc1cccc(C#N)c1)c1ccccc1 ZINC000595908040 1127479662 /nfs/dbraw/zinc/47/96/62/1127479662.db2.gz DXUQMIHHUIBHEX-IBGZPJMESA-N 0 3 276.383 3.973 20 30 CHEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)CC(C)(C)O1 ZINC000597111143 1127527952 /nfs/dbraw/zinc/52/79/52/1127527952.db2.gz NWNVCDSZVFDTCJ-UHFFFAOYSA-N 0 3 298.430 3.631 20 30 CHEDHN CC[C@H](Cc1ccc(Cl)cc1)N[C@@H](CC)CC#N ZINC000597086974 1127528384 /nfs/dbraw/zinc/52/83/84/1127528384.db2.gz QANIABFDMHAXMO-LSDHHAIUSA-N 0 3 264.800 3.943 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1 ZINC000597178049 1127533566 /nfs/dbraw/zinc/53/35/66/1127533566.db2.gz UYLCIQCOGDRVFW-HNNXBMFYSA-N 0 3 284.403 3.601 20 30 CHEDHN Cc1ccc(CC2CN(Cc3ccc(C#N)cc3)C2)cc1 ZINC000597211861 1127533845 /nfs/dbraw/zinc/53/38/45/1127533845.db2.gz OESBDPOBZKZITP-UHFFFAOYSA-N 0 3 276.383 3.541 20 30 CHEDHN C=CC[C@@H]1N(Cc2cn(C)nc2C(F)F)CCCC1(C)C ZINC000361136701 1127540893 /nfs/dbraw/zinc/54/08/93/1127540893.db2.gz QTKRSILOYBHADM-ZDUSSCGKSA-N 0 3 297.393 3.924 20 30 CHEDHN C[C@H](CCCC(F)(F)F)NCc1cccc(F)c1C#N ZINC000602017082 1127558026 /nfs/dbraw/zinc/55/80/26/1127558026.db2.gz LYCORUPTQQTTGN-SNVBAGLBSA-N 0 3 288.288 3.908 20 30 CHEDHN N#Cc1c(F)cccc1CNC[C@H]1CCCC(F)(F)C1 ZINC000602017506 1127558106 /nfs/dbraw/zinc/55/81/06/1127558106.db2.gz RUNKLSVHGPXCEB-NSHDSACASA-N 0 3 282.309 3.612 20 30 CHEDHN C[C@@H](CCC#N)CN(C)Cc1ccccc1Cl ZINC000602436181 1127578572 /nfs/dbraw/zinc/57/85/72/1127578572.db2.gz YAWHZPPZFGAYCO-LBPRGKRZSA-N 0 3 250.773 3.712 20 30 CHEDHN C[C@H](CCC#N)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000602499168 1127587196 /nfs/dbraw/zinc/58/71/96/1127587196.db2.gz NRLRITPPRKTLRU-QAPCUYQASA-N 0 3 279.387 3.700 20 30 CHEDHN CC[C@H](C)[C@H](CN[C@@H](CCC#N)c1ccccc1)OC ZINC000602584035 1127596662 /nfs/dbraw/zinc/59/66/62/1127596662.db2.gz WJTXTXZHCASCMV-XIRDDKMYSA-N 0 3 274.408 3.682 20 30 CHEDHN C[C@H](CCC#N)CN(C)Cc1cc(Cl)ccc1F ZINC000602634142 1127601263 /nfs/dbraw/zinc/60/12/63/1127601263.db2.gz OUPVBSBSNGEHTK-LLVKDONJSA-N 0 3 268.763 3.851 20 30 CHEDHN C[C@@H](CCC#N)CN1CCc2cc(Cl)ccc2C1 ZINC000602636871 1127601301 /nfs/dbraw/zinc/60/13/01/1127601301.db2.gz YOLQXHHNHUAEDX-LBPRGKRZSA-N 0 3 262.784 3.638 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CCSCC3)CC2)s1 ZINC000602734954 1127610858 /nfs/dbraw/zinc/61/08/58/1127610858.db2.gz IQMYXGJWSSCVKO-UHFFFAOYSA-N 0 3 292.473 3.729 20 30 CHEDHN N#CCC1(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000602843087 1127617812 /nfs/dbraw/zinc/61/78/12/1127617812.db2.gz BJOMIEXNEKUTED-KRWDZBQOSA-N 0 3 296.414 3.534 20 30 CHEDHN CN(CC1CCC(C(F)(F)F)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602979468 1127623552 /nfs/dbraw/zinc/62/35/52/1127623552.db2.gz DQGUYNDLUWVCTO-HHTDUIENSA-N 0 3 288.357 3.979 20 30 CHEDHN N#CCCCOc1cccc(CN2CC3(C2)CCCC3)c1 ZINC000362325730 1127628298 /nfs/dbraw/zinc/62/82/98/1127628298.db2.gz UPMSNGVYWQUCFI-UHFFFAOYSA-N 0 3 284.403 3.745 20 30 CHEDHN Cc1ccc(C(C)(C)NCc2ccc(C)c(C#N)c2)cn1 ZINC000599365130 1127670094 /nfs/dbraw/zinc/67/00/94/1127670094.db2.gz RPFWCBVXUGCSKC-UHFFFAOYSA-N 0 3 279.387 3.595 20 30 CHEDHN C=CCCCN(C)Cc1cc(Br)ccc1F ZINC000605150241 1127730030 /nfs/dbraw/zinc/73/00/30/1127730030.db2.gz QURGTRGZTGVYPD-UHFFFAOYSA-N 0 3 286.188 3.986 20 30 CHEDHN C=C(CNCc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000605812576 1127747123 /nfs/dbraw/zinc/74/71/23/1127747123.db2.gz XVVLHIBIBCRWAN-UHFFFAOYSA-N 0 3 290.366 3.743 20 30 CHEDHN C#Cc1ccc(CN[C@H]2CCCc3nc(C)sc32)cc1 ZINC000367361989 1127752789 /nfs/dbraw/zinc/75/27/89/1127752789.db2.gz UEYDVDBRTSKZRL-HNNXBMFYSA-N 0 3 282.412 3.600 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccc(C)s2)cc1C#N ZINC000087823961 1127758145 /nfs/dbraw/zinc/75/81/45/1127758145.db2.gz HGBCODJNZYVKNM-LBPRGKRZSA-N 0 3 286.400 3.788 20 30 CHEDHN CCc1cc(CN2CCC(F)(F)C(C)(C)C2)ccc1C#N ZINC001238761339 1131240973 /nfs/dbraw/zinc/24/09/73/1131240973.db2.gz UIIYTUVYXYNADW-UHFFFAOYSA-N 0 3 292.373 3.988 20 30 CHEDHN N#Cc1ccc2c(c1)CN(C[C@@H]1CCc3ccccc3C1)C2 ZINC000594028862 1127771158 /nfs/dbraw/zinc/77/11/58/1127771158.db2.gz ZWNPHASYFBADKV-MRXNPFEDSA-N 0 3 288.394 3.679 20 30 CHEDHN C=CCCN1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000606896315 1127779717 /nfs/dbraw/zinc/77/97/17/1127779717.db2.gz FXOBUMNEWDJWSB-UHFFFAOYSA-N 0 3 272.436 3.504 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccco3)C2)c(Cl)c1 ZINC000615224798 1127784207 /nfs/dbraw/zinc/78/42/07/1127784207.db2.gz GCJMNHXLTGUIMY-CQSZACIVSA-N 0 3 286.762 3.794 20 30 CHEDHN C[C@@H]1CC[C@]2(CCN(CC#Cc3ccc(F)cc3)C2)C1 ZINC000543810837 1127792634 /nfs/dbraw/zinc/79/26/34/1127792634.db2.gz LQVCBIJICMDSTO-QAPCUYQASA-N 0 3 271.379 3.689 20 30 CHEDHN CO[C@@](C)([C@H](C)NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000411968425 1127883937 /nfs/dbraw/zinc/88/39/37/1127883937.db2.gz JPPIMEQMQFCFFD-ZBEGNZNMSA-N 0 3 292.810 3.505 20 30 CHEDHN CN(CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412004004 1127885730 /nfs/dbraw/zinc/88/57/30/1127885730.db2.gz BSHWEIGZSJIEOG-IAGOWNOFSA-N 0 3 268.404 3.948 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(F)c(Cl)c1 ZINC000429778668 1127905210 /nfs/dbraw/zinc/90/52/10/1127905210.db2.gz FOICFQXGEYPOAY-JTQLQIEISA-N 0 3 266.747 3.824 20 30 CHEDHN CCCCOC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000442670777 1127906114 /nfs/dbraw/zinc/90/61/14/1127906114.db2.gz DYBMXSVEEYVWNY-HNNXBMFYSA-N 0 3 286.419 3.900 20 30 CHEDHN Cc1n[nH]cc1C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000375363352 1127942697 /nfs/dbraw/zinc/94/26/97/1127942697.db2.gz SKEMFDAAFHNJOK-AWEZNQCLSA-N 0 3 294.402 3.530 20 30 CHEDHN C=CCN(Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000540057340 1127959486 /nfs/dbraw/zinc/95/94/86/1127959486.db2.gz NAHFRLJAWWEHPX-UHFFFAOYSA-N 0 3 271.282 3.736 20 30 CHEDHN C=C(CC)CN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000540194213 1127968822 /nfs/dbraw/zinc/96/88/22/1127968822.db2.gz QDAPJMGDFYUWJX-UHFFFAOYSA-N 0 3 287.403 3.556 20 30 CHEDHN CCN(CCc1ccccc1)Cc1cccc(C#N)c1F ZINC000540299265 1127972695 /nfs/dbraw/zinc/97/26/95/1127972695.db2.gz WMIAYKSFQNOBOT-UHFFFAOYSA-N 0 3 282.362 3.762 20 30 CHEDHN N#Cc1ccc(F)cc1CN1CCC[C@@H]1Cc1ccccc1 ZINC000469280786 1128039730 /nfs/dbraw/zinc/03/97/30/1128039730.db2.gz VTWQQFQJKXUJKX-LJQANCHMSA-N 0 3 294.373 3.904 20 30 CHEDHN C[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccc(C#N)c(F)c1 ZINC000271938456 1128082241 /nfs/dbraw/zinc/08/22/41/1128082241.db2.gz NVOHSYWFEBAQAV-OLZOCXBDSA-N 0 3 298.361 3.601 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000924532787 1128101649 /nfs/dbraw/zinc/10/16/49/1128101649.db2.gz URLCBEVUMWILES-MNOVXSKESA-N 0 3 266.335 3.944 20 30 CHEDHN COc1ccc(F)cc1[C@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000924705811 1128110788 /nfs/dbraw/zinc/11/07/88/1128110788.db2.gz MNQRZDCDZDHDJV-RYUDHWBXSA-N 0 3 278.371 3.813 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CCC#N)c1ccccc1 ZINC000925602242 1128133598 /nfs/dbraw/zinc/13/35/98/1128133598.db2.gz SNDKTSCQDHLZAT-GOEBONIOSA-N 0 3 269.392 3.949 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCOc2c(F)cccc21 ZINC000926244787 1128163264 /nfs/dbraw/zinc/16/32/64/1128163264.db2.gz QAEXTDBHEHFRNP-FZMZJTMJSA-N 0 3 276.355 3.567 20 30 CHEDHN COC[C@H](N[C@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000926438173 1128172349 /nfs/dbraw/zinc/17/23/49/1128172349.db2.gz HYTNUPXNCUZRLC-DOMZBBRYSA-N 0 3 294.826 3.945 20 30 CHEDHN Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1C#N ZINC000926960663 1128206195 /nfs/dbraw/zinc/20/61/95/1128206195.db2.gz GEOCCULHHRHLCG-IBGZPJMESA-N 0 3 291.398 3.893 20 30 CHEDHN CCc1cc(CN2CC[C@@H](F)C(F)(F)CC2)ccc1C#N ZINC001238766259 1131242960 /nfs/dbraw/zinc/24/29/60/1131242960.db2.gz JRRYWFZYOZGOEW-OAHLLOKOSA-N 0 3 296.336 3.690 20 30 CHEDHN CC(C)C[C@@H]1COCCN1CCCCC1(C#N)CCC1 ZINC000929645381 1128280635 /nfs/dbraw/zinc/28/06/35/1128280635.db2.gz HGIHWGQPWPNYRU-MRXNPFEDSA-N 0 3 278.440 3.597 20 30 CHEDHN CC(C)SCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000915098178 1128282096 /nfs/dbraw/zinc/28/20/96/1128282096.db2.gz JSDWEQHZDMJZCC-SNVBAGLBSA-N 0 3 290.413 3.614 20 30 CHEDHN C[C@]1(c2ccccc2)CN(CC2CCC(C#N)CC2)CCO1 ZINC000929831135 1128289719 /nfs/dbraw/zinc/28/97/19/1128289719.db2.gz CXJJRGQLMFCQNY-FAFZWHIHSA-N 0 3 298.430 3.564 20 30 CHEDHN C[C@@H]1CN(CC2CCC(C#N)CC2)[C@H](c2ccccc2)CO1 ZINC000929760006 1128285325 /nfs/dbraw/zinc/28/53/25/1128285325.db2.gz NBUXRYJJGNKTQB-JIZBTBOESA-N 0 3 298.430 3.778 20 30 CHEDHN CC(C)[C@H](NCc1cncc(C#N)c1)c1ccc(F)cc1 ZINC000929862186 1128291426 /nfs/dbraw/zinc/29/14/26/1128291426.db2.gz WZENEYFFNGDPFS-KRWDZBQOSA-N 0 3 283.350 3.579 20 30 CHEDHN N#Cc1cccc(C2(NCc3ccccc3CF)CC2)c1 ZINC000930219877 1128308040 /nfs/dbraw/zinc/30/80/40/1128308040.db2.gz RXVDVQCNTYKHPA-UHFFFAOYSA-N 0 3 280.346 3.807 20 30 CHEDHN C=CCC[C@@H](NCc1cc(C)nnc1C)c1ccccc1 ZINC000930231194 1128309284 /nfs/dbraw/zinc/30/92/84/1128309284.db2.gz ZHCGVBOVJJVDEZ-GOSISDBHSA-N 0 3 281.403 3.891 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC(c2ccon2)CC1 ZINC000931058105 1128345447 /nfs/dbraw/zinc/34/54/47/1128345447.db2.gz CLVZGRXWKYUVNK-UHFFFAOYSA-N 0 3 295.386 3.543 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000763096230 1128350798 /nfs/dbraw/zinc/35/07/98/1128350798.db2.gz IBYUQTQDDHEJJK-JFENUBAZSA-N 0 3 296.361 3.845 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000763096240 1128351087 /nfs/dbraw/zinc/35/10/87/1128351087.db2.gz IBYUQTQDDHEJJK-OTGIAGGSSA-N 0 3 296.361 3.845 20 30 CHEDHN CCOCc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000193892470 1128357754 /nfs/dbraw/zinc/35/77/54/1128357754.db2.gz RXIUNFGUZQGXPS-HNNXBMFYSA-N 0 3 294.398 3.946 20 30 CHEDHN C[C@H](C/N=C\c1cc(Cl)ccc1[O-])[NH+]1CCCCCC1 ZINC000915979933 1128399681 /nfs/dbraw/zinc/39/96/81/1128399681.db2.gz LPGUJPKBTTVMOC-FDIDITGRSA-N 0 3 294.826 3.729 20 30 CHEDHN C#CC[C@H](NCc1cc(F)ccc1C)c1ccccc1 ZINC000778105653 1128417998 /nfs/dbraw/zinc/41/79/98/1128417998.db2.gz FDKWTXZMFSVRLS-SFHVURJKSA-N 0 3 267.347 3.988 20 30 CHEDHN C=C[C@@H](CC)CC(=O)Nc1ccc(C)cc1CN(C)C ZINC000932806213 1128421966 /nfs/dbraw/zinc/42/19/66/1128421966.db2.gz QEAWRMKOKAHOTH-AWEZNQCLSA-N 0 3 274.408 3.597 20 30 CHEDHN CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)CCC#N ZINC000563220111 1128456358 /nfs/dbraw/zinc/45/63/58/1128456358.db2.gz ORHJAHGIXAWQNG-ZIAGYGMSSA-N 0 3 260.381 3.817 20 30 CHEDHN Cc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1C#N ZINC000934701449 1128467013 /nfs/dbraw/zinc/46/70/13/1128467013.db2.gz PNCXXACNURXBSP-SFHVURJKSA-N 0 3 277.371 3.503 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934697538 1128467118 /nfs/dbraw/zinc/46/71/18/1128467118.db2.gz JVIRCGMUZIHWHB-GOSISDBHSA-N 0 3 277.371 3.503 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](c1ccncc1)C1CC1 ZINC000934699192 1128467123 /nfs/dbraw/zinc/46/71/23/1128467123.db2.gz VFAOZZFUMMSJAW-IBGZPJMESA-N 0 3 291.398 3.811 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(Br)cc1F ZINC000126827632 1128468636 /nfs/dbraw/zinc/46/86/36/1128468636.db2.gz CNVLUIZUQAUTMB-IUCAKERBSA-N 0 3 272.161 3.813 20 30 CHEDHN CC(C)c1ccc(C[C@H](C)NCc2nc(C#N)cs2)cc1 ZINC000564410204 1128507767 /nfs/dbraw/zinc/50/77/67/1128507767.db2.gz KKLCFRFOMWSPAB-ZDUSSCGKSA-N 0 3 299.443 3.859 20 30 CHEDHN C=CCC1(CNC(=O)Nc2ccc3c(c2)CNC3)CCCC1 ZINC000565822370 1128532954 /nfs/dbraw/zinc/53/29/54/1128532954.db2.gz SQNSPFSPIZCMLM-UHFFFAOYSA-N 0 3 299.418 3.548 20 30 CHEDHN Cc1csc(C(C#N)=C([O-])c2ccc(Cl)cc2C)n1 ZINC000129986254 1128560229 /nfs/dbraw/zinc/56/02/29/1128560229.db2.gz FVUFYTOIBAXTPL-GFCCVEGCSA-N 0 3 290.775 3.903 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(Cl)cc2C)n1 ZINC000129986254 1128560231 /nfs/dbraw/zinc/56/02/31/1128560231.db2.gz FVUFYTOIBAXTPL-GFCCVEGCSA-N 0 3 290.775 3.903 20 30 CHEDHN Cc1cc(C)cc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000556408004 1128587330 /nfs/dbraw/zinc/58/73/30/1128587330.db2.gz SSXYPLYUJRWTPP-UHFFFAOYSA-N 0 3 276.383 3.954 20 30 CHEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC000130668636 1128615659 /nfs/dbraw/zinc/61/56/59/1128615659.db2.gz WGCJCSMNGZAQHX-GOSISDBHSA-N 0 3 285.362 3.547 20 30 CHEDHN CC[C@H](Cc1ccc(Cl)cc1)NC[C@H](C#N)CCC#N ZINC000569213840 1128601619 /nfs/dbraw/zinc/60/16/19/1128601619.db2.gz GCSMEOMPDJKRTA-GOEBONIOSA-N 0 3 289.810 3.694 20 30 CHEDHN CC(C)(C)c1cc(NC2=CC[C@@H](C#N)CC2)ccn1 ZINC001212857363 1128609612 /nfs/dbraw/zinc/60/96/12/1128609612.db2.gz HLBWMUIELXYPBY-GFCCVEGCSA-N 0 3 255.365 3.999 20 30 CHEDHN N#C[C@H]1CC=C(Nc2ccnc(C3CCC3)c2)CC1 ZINC001212859923 1128643850 /nfs/dbraw/zinc/64/38/50/1128643850.db2.gz WFNYSTYBPGPLPQ-LBPRGKRZSA-N 0 3 253.349 3.969 20 30 CHEDHN CC[C@H](NCc1cncc(C)c1)c1ccc(C#N)cc1 ZINC000575311226 1128666544 /nfs/dbraw/zinc/66/65/44/1128666544.db2.gz OQVAXXIEIIVCFN-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN CCCCCCC[C@@H](C)NCC(=O)c1cccnc1 ZINC001258040980 1128676708 /nfs/dbraw/zinc/67/67/08/1128676708.db2.gz KUZAXNLLGWJAQN-CQSZACIVSA-N 0 3 262.397 3.603 20 30 CHEDHN C#CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000920415775 1128680690 /nfs/dbraw/zinc/68/06/90/1128680690.db2.gz LIAFBHSIGZAXRN-INIZCTEOSA-N 0 3 279.383 3.979 20 30 CHEDHN C#CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000920415775 1128680692 /nfs/dbraw/zinc/68/06/92/1128680692.db2.gz LIAFBHSIGZAXRN-INIZCTEOSA-N 0 3 279.383 3.979 20 30 CHEDHN CCCCCCC[C@@H](C)NCc1cn(CCF)cn1 ZINC001258042886 1128683751 /nfs/dbraw/zinc/68/37/51/1128683751.db2.gz CRPKBIHAVZPCKA-CQSZACIVSA-N 0 3 269.408 3.691 20 30 CHEDHN CCCCCCC[C@H](C)N1CC(N2CCC(F)CC2)C1 ZINC001258049614 1128690354 /nfs/dbraw/zinc/69/03/54/1128690354.db2.gz LYMXCDBGVNCWAB-HNNXBMFYSA-N 0 3 284.463 3.854 20 30 CHEDHN N#CCOc1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000048241891 1128689667 /nfs/dbraw/zinc/68/96/67/1128689667.db2.gz QVVBBSYZVVUJBP-UHFFFAOYSA-N 0 3 286.762 3.532 20 30 CHEDHN COc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000601265405 1128707585 /nfs/dbraw/zinc/70/75/85/1128707585.db2.gz PQTREWFECZXWNE-YJYMSZOUSA-N 0 3 292.382 3.905 20 30 CHEDHN CC(C)[C@H](c1ccccc1)N(C)Cc1ccc(C#N)cn1 ZINC000578903411 1128732631 /nfs/dbraw/zinc/73/26/31/1128732631.db2.gz GICPOHJISRVZAJ-GOSISDBHSA-N 0 3 279.387 3.782 20 30 CHEDHN CC(C)(CCN1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC001208670079 1117904541 /nfs/dbraw/zinc/90/45/41/1117904541.db2.gz VMLUDLGPFPWQMS-KRWDZBQOSA-N 0 3 256.393 3.590 20 30 CHEDHN N#CCCCN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000339608432 1117914609 /nfs/dbraw/zinc/91/46/09/1117914609.db2.gz ZSURTIZDXVEBJS-IBGZPJMESA-N 0 3 276.383 3.938 20 30 CHEDHN C[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000748083404 1117937055 /nfs/dbraw/zinc/93/70/55/1117937055.db2.gz NIILAZZAHOCZMG-OAHLLOKOSA-N 0 3 294.402 3.501 20 30 CHEDHN Cc1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000237637242 1128748327 /nfs/dbraw/zinc/74/83/27/1128748327.db2.gz ZMTSSYQRFOKSOG-UHFFFAOYSA-N 0 3 294.398 3.967 20 30 CHEDHN C=CCN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182561237 1118024506 /nfs/dbraw/zinc/02/45/06/1118024506.db2.gz SZPQMUBLPMINRF-AWEZNQCLSA-N 0 3 280.371 3.776 20 30 CHEDHN C[C@H](CCc1cccc(F)c1)N(CCC#N)CC1CC1 ZINC000183261617 1118042057 /nfs/dbraw/zinc/04/20/57/1118042057.db2.gz BUHXISCFWMSVEJ-CQSZACIVSA-N 0 3 274.383 3.772 20 30 CHEDHN N#Cc1ccc(C2=CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC000615506927 1128752610 /nfs/dbraw/zinc/75/26/10/1128752610.db2.gz LMZSYGXATMEQLL-UHFFFAOYSA-N 0 3 290.366 3.553 20 30 CHEDHN C=CCCCCCCCCN1CCn2c(C)ncc2C1 ZINC001209442417 1118061307 /nfs/dbraw/zinc/06/13/07/1118061307.db2.gz IBSOGHCBDJIBAJ-UHFFFAOYSA-N 0 3 275.440 3.924 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(F)c(C)c2)cc1 ZINC000764744384 1118109910 /nfs/dbraw/zinc/10/99/10/1118109910.db2.gz UMSNMCSIUBLIQA-OAHLLOKOSA-N 0 3 297.373 3.997 20 30 CHEDHN N#Cc1cc(CN[C@H](c2cccs2)C2CC2)cs1 ZINC000921511927 1118147503 /nfs/dbraw/zinc/14/75/03/1118147503.db2.gz GAVFPGSUOPVSHV-AWEZNQCLSA-N 0 3 274.414 3.922 20 30 CHEDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(C#N)cc1 ZINC000921515426 1118155319 /nfs/dbraw/zinc/15/53/19/1118155319.db2.gz DKRVCCKRUKUWSR-AWEZNQCLSA-N 0 3 292.382 3.734 20 30 CHEDHN COCCN(Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000186164104 1118217898 /nfs/dbraw/zinc/21/78/98/1118217898.db2.gz HUOSMSUTZSBELX-UHFFFAOYSA-N 0 3 294.398 3.515 20 30 CHEDHN CCC#C[C@H](C)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000671705931 1118277150 /nfs/dbraw/zinc/27/71/50/1118277150.db2.gz NBTHXDZJNDNXOD-DZGCQCFKSA-N 0 3 275.392 3.546 20 30 CHEDHN Cc1cc(F)ccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000610344873 1118337522 /nfs/dbraw/zinc/33/75/22/1118337522.db2.gz JWBMNJXVTLQFFQ-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN Cc1cc(CN(Cc2cccnc2)C(C)C)ccc1C#N ZINC000349282226 1118347112 /nfs/dbraw/zinc/34/71/12/1118347112.db2.gz PIJXSIDUBYJHHP-UHFFFAOYSA-N 0 3 279.387 3.672 20 30 CHEDHN C=CCCCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000580907443 1118519996 /nfs/dbraw/zinc/51/99/96/1118519996.db2.gz MEBKVKKPBAOUFV-GOSISDBHSA-N 0 3 271.404 3.923 20 30 CHEDHN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cc(C#N)cs1 ZINC000334261647 1118547583 /nfs/dbraw/zinc/54/75/83/1118547583.db2.gz YDRHYZNNWVHDON-BDJLRTHQSA-N 0 3 268.385 3.643 20 30 CHEDHN Cc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000334529934 1118554983 /nfs/dbraw/zinc/55/49/83/1118554983.db2.gz DZLXETQODHEDAT-LJQANCHMSA-N 0 3 291.398 3.819 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)NCc1c(F)cc(F)c(F)c1F ZINC000430743069 1118766149 /nfs/dbraw/zinc/76/61/49/1118766149.db2.gz NRWGFFRUZYTNDB-BDAKNGLRSA-N 0 3 275.289 3.933 20 30 CHEDHN C=CCCC[C@H](C)N(C)CC(=O)Nc1ccccc1CC ZINC000091537094 1118830115 /nfs/dbraw/zinc/83/01/15/1118830115.db2.gz XJQXTFFFULJBBR-HNNXBMFYSA-N 0 3 288.435 3.864 20 30 CHEDHN C[C@@H]1CCC[C@@H](CCN2CCC(F)(C#N)CC2)C1 ZINC000510952445 1118871297 /nfs/dbraw/zinc/87/12/97/1118871297.db2.gz ZLMUIMKYUDLTIZ-KGLIPLIRSA-N 0 3 252.377 3.530 20 30 CHEDHN CC(C)(C)[C@H](NCc1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000610993561 1118918484 /nfs/dbraw/zinc/91/84/84/1118918484.db2.gz UOYKXOXYNNXZFF-QGZVFWFLSA-N 0 3 297.377 3.969 20 30 CHEDHN C#CCOc1ccccc1CNCCSc1ccccc1 ZINC000037854683 1119068514 /nfs/dbraw/zinc/06/85/14/1119068514.db2.gz NPMMMPSRGORRNM-UHFFFAOYSA-N 0 3 297.423 3.581 20 30 CHEDHN N#CC(C(=O)c1sccc1C1CC1)c1ccccn1 ZINC000342570131 1119087383 /nfs/dbraw/zinc/08/73/83/1119087383.db2.gz BFGGVFPQWSOAMZ-LBPRGKRZSA-N 0 3 268.341 3.511 20 30 CHEDHN C=C(CN[C@H]1CCCc2cccnc21)c1ccccc1 ZINC000684956289 1119142058 /nfs/dbraw/zinc/14/20/58/1119142058.db2.gz XCZQGIOUPAZBFL-KRWDZBQOSA-N 0 3 264.372 3.762 20 30 CHEDHN Cc1scc(CNCc2ccc(C#N)c(F)c2)c1C ZINC000404018387 1119145021 /nfs/dbraw/zinc/14/50/21/1119145021.db2.gz SIXYYHGVYCUEGI-UHFFFAOYSA-N 0 3 274.364 3.666 20 30 CHEDHN C=CCCN(C)Cc1c(Cl)ccc2cccnc21 ZINC000342730344 1119146981 /nfs/dbraw/zinc/14/69/81/1119146981.db2.gz GFWMTXPBIGKZCC-UHFFFAOYSA-N 0 3 260.768 3.896 20 30 CHEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000342765565 1119158105 /nfs/dbraw/zinc/15/81/05/1119158105.db2.gz PMXUBTAHGVKESY-DOTOQJQBSA-N 0 3 288.435 3.540 20 30 CHEDHN C=CCCNCc1c(Cl)cccc1OC(F)F ZINC000657583007 1119195839 /nfs/dbraw/zinc/19/58/39/1119195839.db2.gz SJNLXYDVRKMXDU-UHFFFAOYSA-N 0 3 261.699 3.607 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2)o1 ZINC000661117293 1119196216 /nfs/dbraw/zinc/19/62/16/1119196216.db2.gz PIEPLLKRMRQBLY-ZBFHGGJFSA-N 0 3 297.402 3.961 20 30 CHEDHN C=CCC1(NCc2coc(-c3ccccc3)n2)CCOCC1 ZINC000657632947 1119217154 /nfs/dbraw/zinc/21/71/54/1119217154.db2.gz DLURBQSQGOCFHW-UHFFFAOYSA-N 0 3 298.386 3.557 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001140600315 1119234615 /nfs/dbraw/zinc/23/46/15/1119234615.db2.gz HENOWFUYHQJMEY-UONOGXRCSA-N 0 3 274.795 3.834 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(-c3ccccc3)o2)C1 ZINC000349793495 1119238669 /nfs/dbraw/zinc/23/86/69/1119238669.db2.gz WCNFQTLHYVRZHI-HIFRSBDPSA-N 0 3 266.344 3.728 20 30 CHEDHN C=CCN(C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000154770278 1119318222 /nfs/dbraw/zinc/31/82/22/1119318222.db2.gz XHHUYWWZPFMQFY-UHFFFAOYSA-N 0 3 261.699 3.559 20 30 CHEDHN C=CCOCCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000583269036 1119330202 /nfs/dbraw/zinc/33/02/02/1119330202.db2.gz QNFZUINMWTXSHH-UHFFFAOYSA-N 0 3 299.336 3.872 20 30 CHEDHN C=C(Br)CN1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000743854332 1119358485 /nfs/dbraw/zinc/35/84/85/1119358485.db2.gz UHFDEICOENITMP-IJLUTSLNSA-N 0 3 258.203 3.548 20 30 CHEDHN C[C@H](c1ccc(F)c(F)c1)N(C)CCC(C)(C)C#N ZINC000157549144 1119403525 /nfs/dbraw/zinc/40/35/25/1119403525.db2.gz NIFCLUFOBAHIQW-LLVKDONJSA-N 0 3 266.335 3.897 20 30 CHEDHN C=CCCN(C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000343452496 1119425037 /nfs/dbraw/zinc/42/50/37/1119425037.db2.gz ZUUBOIYHXKCSBN-UHFFFAOYSA-N 0 3 275.783 3.534 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cnc(C3CCCCC3)s2)C1 ZINC000583866309 1119426392 /nfs/dbraw/zinc/42/63/92/1119426392.db2.gz RPZRHGQDPALWOV-OCCSQVGLSA-N 0 3 289.448 3.973 20 30 CHEDHN C[C@H](N[C@@H]1CCc2c1cccc2O)c1cccc(C#N)c1 ZINC000135043686 1119493423 /nfs/dbraw/zinc/49/34/23/1119493423.db2.gz YYCVRKNYCUNRKF-YVEFUNNKSA-N 0 3 278.355 3.602 20 30 CHEDHN COc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)cc1C#N ZINC000134949119 1119589825 /nfs/dbraw/zinc/58/98/25/1119589825.db2.gz PZUOWCUYOPHALL-CYBMUJFWSA-N 0 3 298.361 3.899 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C(C)C)s1 ZINC000657905099 1119623941 /nfs/dbraw/zinc/62/39/41/1119623941.db2.gz XRJMBTDGCRMMEC-CHWSQXEVSA-N 0 3 279.453 3.886 20 30 CHEDHN C=C(C)[C@@H](N[C@H]1COC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000657980814 1119659576 /nfs/dbraw/zinc/65/95/76/1119659576.db2.gz DRJGCVOTUCGNLA-CZUORRHYSA-N 0 3 293.357 3.883 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cscn1 ZINC000658060767 1119674095 /nfs/dbraw/zinc/67/40/95/1119674095.db2.gz QEMOQXRPVKWUHI-UPJWGTAASA-N 0 3 250.411 3.929 20 30 CHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000658334921 1119725724 /nfs/dbraw/zinc/72/57/24/1119725724.db2.gz FQDGRAGIWQDGJV-VXGBXAGGSA-N 0 3 291.391 3.752 20 30 CHEDHN C[C@@H]1CC[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000177731870 1119849789 /nfs/dbraw/zinc/84/97/89/1119849789.db2.gz VRDYGTRXFSDEKN-FRRDWIJNSA-N 0 3 282.343 3.830 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)c(C)c1 ZINC000414159013 1119920603 /nfs/dbraw/zinc/92/06/03/1119920603.db2.gz ZQZXBBINTWXPAE-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cc(C)on1 ZINC000414297892 1119971561 /nfs/dbraw/zinc/97/15/61/1119971561.db2.gz HUGGJDCGGWXJQE-GDBMZVCRSA-N 0 3 270.376 3.821 20 30 CHEDHN C=CCCC(C)(C)CN[C@H](C)c1cn(C(C)C)nn1 ZINC000926780481 1120012910 /nfs/dbraw/zinc/01/29/10/1120012910.db2.gz CAAQGSYDMAIQGA-CYBMUJFWSA-N 0 3 264.417 3.502 20 30 CHEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000186315486 1120023656 /nfs/dbraw/zinc/02/36/56/1120023656.db2.gz HXMTYRLFPREWSZ-QGZVFWFLSA-N 0 3 294.402 3.544 20 30 CHEDHN C=CCC[C@@H](NCC1(C#N)CCC1)[C@]1(C)CCCCO1 ZINC000903035109 1120064141 /nfs/dbraw/zinc/06/41/41/1120064141.db2.gz IHHHLSXCHVDIJH-CVEARBPZSA-N 0 3 276.424 3.564 20 30 CHEDHN C#CCCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000180941035 1120100147 /nfs/dbraw/zinc/10/01/47/1120100147.db2.gz WJGGPMCOABIZMP-GOSISDBHSA-N 0 3 264.372 3.564 20 30 CHEDHN C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(F)ccc1[O-] ZINC000273350655 1120107009 /nfs/dbraw/zinc/10/70/09/1120107009.db2.gz BPZNSKKUABGUGE-LBPRGKRZSA-N 0 3 296.345 3.743 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000182079881 1120114182 /nfs/dbraw/zinc/11/41/82/1120114182.db2.gz JTTWCFQZMIQQIX-CYBMUJFWSA-N 0 3 289.375 3.685 20 30 CHEDHN C=CCOCCN[C@@H](C)c1oc2ccccc2c1CC ZINC000312530290 1120156940 /nfs/dbraw/zinc/15/69/40/1120156940.db2.gz HGMIOPPHSCGMDW-ZDUSSCGKSA-N 0 3 273.376 3.848 20 30 CHEDHN COc1cccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000361865107 1120192395 /nfs/dbraw/zinc/19/23/95/1120192395.db2.gz KEEQCKYFMSODRA-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN N#Cc1ccc(Br)c(CN[C@H]2CC=CCC2)c1 ZINC000921758420 1120201675 /nfs/dbraw/zinc/20/16/75/1120201675.db2.gz XBIYSNGHASRRIG-ZDUSSCGKSA-N 0 3 291.192 3.519 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C#N)cc1 ZINC000188097166 1120268133 /nfs/dbraw/zinc/26/81/33/1120268133.db2.gz HMUKBSMWTYDDDZ-CQSZACIVSA-N 0 3 275.355 3.623 20 30 CHEDHN C=CCCN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339118145 1120288858 /nfs/dbraw/zinc/28/88/58/1120288858.db2.gz XSLOFACVCKMDAN-UHFFFAOYSA-N 0 3 288.269 3.622 20 30 CHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc(C)c1 ZINC000077183506 1120317553 /nfs/dbraw/zinc/31/75/53/1120317553.db2.gz AJOGYOIGZJNDNS-UHFFFAOYSA-N 0 3 294.398 3.515 20 30 CHEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000011047902 1120441214 /nfs/dbraw/zinc/44/12/14/1120441214.db2.gz NGKRUGASDYOIRF-SFHVURJKSA-N 0 3 280.371 3.808 20 30 CHEDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000069087052 1120493353 /nfs/dbraw/zinc/49/33/53/1120493353.db2.gz NNJCRVTUQBWDNY-GOSISDBHSA-N 0 3 292.382 3.904 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccccc1Cl ZINC000695859627 1120530488 /nfs/dbraw/zinc/53/04/88/1120530488.db2.gz OVHIRBHVUSXBAR-NSHDSACASA-N 0 3 250.773 3.758 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCCCC1 ZINC000123442811 1120546731 /nfs/dbraw/zinc/54/67/31/1120546731.db2.gz CVPPROFYSURGNO-CQSZACIVSA-N 0 3 295.386 3.720 20 30 CHEDHN CC(C)(/C=C\Cl)NCc1ccc(C2(C#N)CC2)cc1 ZINC000922645212 1120571103 /nfs/dbraw/zinc/57/11/03/1120571103.db2.gz ORJJKADWBZSNEI-KTKRTIGZSA-N 0 3 274.795 3.862 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CNC(C)(C)/C=C/Cl)cc1 ZINC000922649819 1120572120 /nfs/dbraw/zinc/57/21/20/1120572120.db2.gz YTOCTRDGZKOHIY-BCPZQOPPSA-N 0 3 278.783 3.598 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000186689826 1120641424 /nfs/dbraw/zinc/64/14/24/1120641424.db2.gz UYQCKQOULVIUPV-BDAKNGLRSA-N 0 3 292.181 3.720 20 30 CHEDHN N#Cc1cncc(CN2CCC[C@@H]2CCC2CCCC2)c1 ZINC001307582892 1120690175 /nfs/dbraw/zinc/69/01/75/1120690175.db2.gz KHQAPTYUVNTEBY-GOSISDBHSA-N 0 3 283.419 3.888 20 30 CHEDHN C=CCC[C@H](O)CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661445589 1120766895 /nfs/dbraw/zinc/76/68/95/1120766895.db2.gz ITKNEXJADJWWCN-HOCLYGCPSA-N 0 3 275.392 3.524 20 30 CHEDHN COC(=O)CN(CCCCC(C)(C)C#N)C1CCCCC1 ZINC000595667524 1120786317 /nfs/dbraw/zinc/78/63/17/1120786317.db2.gz GVUQIHMOWXEJNO-UHFFFAOYSA-N 0 3 294.439 3.514 20 30 CHEDHN C=CCC1(NCc2nnc(-c3ccccc3)o2)CCCC1 ZINC000661850104 1120825114 /nfs/dbraw/zinc/82/51/14/1120825114.db2.gz KAHVCTALYQDTIB-UHFFFAOYSA-N 0 3 283.375 3.715 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000662082400 1120872824 /nfs/dbraw/zinc/87/28/24/1120872824.db2.gz ULCJGRRXLQMHQQ-OIISXLGYSA-N 0 3 284.403 3.505 20 30 CHEDHN C=CCOc1ccc(CN2CC[C@H](C)C2)cc1Cl ZINC000511974209 1120954365 /nfs/dbraw/zinc/95/43/65/1120954365.db2.gz TVOLHPUZMHJPRY-LBPRGKRZSA-N 0 3 265.784 3.747 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cnn(C(C)(C)C)c1 ZINC000512054484 1121043066 /nfs/dbraw/zinc/04/30/66/1121043066.db2.gz VYDSGHNVXFSNOK-UHFFFAOYSA-N 0 3 297.446 3.869 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000625702269 1121061912 /nfs/dbraw/zinc/06/19/12/1121061912.db2.gz WLUYTZHCBWJHNG-ZDUSSCGKSA-N 0 3 286.350 3.879 20 30 CHEDHN C=CCCCN(C)Cc1cnc(C(C)(C)C)s1 ZINC000093533643 1128963239 /nfs/dbraw/zinc/96/32/39/1128963239.db2.gz NWCZPOYXRDZLDU-UHFFFAOYSA-N 0 3 252.427 3.839 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C2CC2)s1 ZINC000658033428 1121120978 /nfs/dbraw/zinc/12/09/78/1121120978.db2.gz BHURPYGLGKDJOB-AAEUAGOBSA-N 0 3 277.437 3.640 20 30 CHEDHN Cc1c(F)cccc1-c1ccc(CNCCCC#N)o1 ZINC000344308050 1121139639 /nfs/dbraw/zinc/13/96/39/1121139639.db2.gz RWZSJUUAVPBYHY-UHFFFAOYSA-N 0 3 272.323 3.788 20 30 CHEDHN C=C[C@@H](C)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000675933408 1121388189 /nfs/dbraw/zinc/38/81/89/1121388189.db2.gz DLTNWLYYBDHLNT-MFKMUULPSA-N 0 3 273.298 3.557 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000619287024 1128982160 /nfs/dbraw/zinc/98/21/60/1128982160.db2.gz GYAGNNFGDIJOKM-SMDDNHRTSA-N 0 3 282.309 3.639 20 30 CHEDHN C#CCCCCNCc1c(F)ccc(F)c1Cl ZINC000705591963 1121406606 /nfs/dbraw/zinc/40/66/06/1121406606.db2.gz SAQKOUIDDOROLW-UHFFFAOYSA-N 0 3 257.711 3.511 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 ZINC000843423261 1121479109 /nfs/dbraw/zinc/47/91/09/1121479109.db2.gz BJMZZWJQXJWXGP-CYBMUJFWSA-N 0 3 274.433 3.646 20 30 CHEDHN C=CCN(Cc1ccc(OC)c(OCC(C)C)c1)C1CC1 ZINC000543620163 1121529091 /nfs/dbraw/zinc/52/90/91/1121529091.db2.gz YBYBWEFCIQLTMZ-UHFFFAOYSA-N 0 3 289.419 3.880 20 30 CHEDHN C(#Cc1ccccc1)CN1CCC[C@@H](c2ccccc2)C1 ZINC000433049778 1121537924 /nfs/dbraw/zinc/53/79/24/1121537924.db2.gz YGJQNFQDZROEAP-HXUWFJFHSA-N 0 3 275.395 3.918 20 30 CHEDHN C[C@@H](Cc1ccccc1C(F)(F)F)NCC(C)(C)C#N ZINC000619509213 1128993360 /nfs/dbraw/zinc/99/33/60/1128993360.db2.gz FPRXQTRPZKKMMB-NSHDSACASA-N 0 3 284.325 3.776 20 30 CHEDHN COc1cc(CN[C@H](C)c2ccc(C)c(F)c2)ccc1C#N ZINC000389827950 1121616814 /nfs/dbraw/zinc/61/68/14/1121616814.db2.gz VWJWOVOONBBOKE-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN COc1cccc(CN(Cc2ccc(C#N)o2)CC(C)C)c1 ZINC000611257870 1121632342 /nfs/dbraw/zinc/63/23/42/1121632342.db2.gz ULMIFGUEZYITDP-UHFFFAOYSA-N 0 3 298.386 3.818 20 30 CHEDHN CO[C@](C)([C@@H](C)NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000411968420 1121633895 /nfs/dbraw/zinc/63/38/95/1121633895.db2.gz JPPIMEQMQFCFFD-BDJLRTHQSA-N 0 3 292.810 3.505 20 30 CHEDHN COCC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000611389376 1121641797 /nfs/dbraw/zinc/64/17/97/1121641797.db2.gz VAKSTKFVRFDFBW-DNVCBOLYSA-N 0 3 294.398 3.987 20 30 CHEDHN N#Cc1cc(CN[C@H](CC2CCC2)c2ccccc2)ccn1 ZINC000611502638 1121652410 /nfs/dbraw/zinc/65/24/10/1121652410.db2.gz WOSJUDRMIAUDET-LJQANCHMSA-N 0 3 291.398 3.974 20 30 CHEDHN C=CCCCN(CC)Cc1cnc(-c2ccccc2)nc1 ZINC001176797705 1121693207 /nfs/dbraw/zinc/69/32/07/1121693207.db2.gz DLGYFEQKFAIPQQ-UHFFFAOYSA-N 0 3 281.403 3.932 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)CCOc1ccc(F)cc1 ZINC000614396039 1121706799 /nfs/dbraw/zinc/70/67/99/1121706799.db2.gz QOQORBWJQIPNIW-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H]1c1ccccc1 ZINC000614402279 1121709538 /nfs/dbraw/zinc/70/95/38/1121709538.db2.gz QJKRVLYRPHTBPS-GOSISDBHSA-N 0 3 262.356 3.814 20 30 CHEDHN CCCCCCCCCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000732033644 1121904664 /nfs/dbraw/zinc/90/46/64/1121904664.db2.gz ACVBFPFRLUWSNL-QGZVFWFLSA-N 0 3 294.483 3.822 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC001206408680 1121943436 /nfs/dbraw/zinc/94/34/36/1121943436.db2.gz FPSGELBETGPJJG-ZDUSSCGKSA-N 0 3 292.220 3.684 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN(C)Cc1ccc(F)cc1 ZINC001180566970 1122001758 /nfs/dbraw/zinc/00/17/58/1122001758.db2.gz ZMSGVBIXNIBELG-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN CCCCCCC[C@H](C)C(=O)N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001181122511 1122037296 /nfs/dbraw/zinc/03/72/96/1122037296.db2.gz UJQCCARVLPNNJR-GVDBMIGSSA-N 0 3 294.483 3.536 20 30 CHEDHN Cc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(C)n1 ZINC000618807328 1122060124 /nfs/dbraw/zinc/06/01/24/1122060124.db2.gz XUQHNPNKULTMRP-LIRRHRJNSA-N 0 3 291.398 3.908 20 30 CHEDHN C#CCN(Cc1ccccc1)CC(C)(C)Oc1ccccc1 ZINC001181637363 1122065705 /nfs/dbraw/zinc/06/57/05/1122065705.db2.gz CWJGQAHGOWYSHC-UHFFFAOYSA-N 0 3 293.410 3.979 20 30 CHEDHN C=CCN(CCOc1ccccc1)Cc1ccccc1 ZINC000502310174 1122074300 /nfs/dbraw/zinc/07/43/00/1122074300.db2.gz PJYNNANPZIHKQM-UHFFFAOYSA-N 0 3 267.372 3.754 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCC1(C)C ZINC000773942870 1122075596 /nfs/dbraw/zinc/07/55/96/1122075596.db2.gz IBRUJSHQGXYMHO-STQMWFEESA-N 0 3 295.386 3.576 20 30 CHEDHN N#Cc1c(F)cccc1CNCC1CCCCCC1 ZINC001181807137 1122080164 /nfs/dbraw/zinc/08/01/64/1122080164.db2.gz AVFBIDLGYLEWII-UHFFFAOYSA-N 0 3 260.356 3.757 20 30 CHEDHN N#CCCCN[C@H](COc1ccccc1)c1ccccc1 ZINC000271761054 1122173555 /nfs/dbraw/zinc/17/35/55/1122173555.db2.gz ZNKQEIGETXVEAL-GOSISDBHSA-N 0 3 280.371 3.700 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2cc(OC)c(O)cc2Cl)C1 ZINC001182795689 1122187352 /nfs/dbraw/zinc/18/73/52/1122187352.db2.gz JFLITVRGQCXTRS-GFCCVEGCSA-N 0 3 295.810 3.842 20 30 CHEDHN COc1cc(CN2CCC(C3CCC3)CC2)ccc1C#N ZINC001182796042 1122187421 /nfs/dbraw/zinc/18/74/21/1122187421.db2.gz OOTQVTVIMPPWIF-UHFFFAOYSA-N 0 3 284.403 3.579 20 30 CHEDHN CO[C@@H](CNCC1(C#N)CCCCC1)C1CCCCC1 ZINC001182930002 1122198771 /nfs/dbraw/zinc/19/87/71/1122198771.db2.gz SVVHGEGGRIOWKL-INIZCTEOSA-N 0 3 278.440 3.645 20 30 CHEDHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)cc1F ZINC000503937748 1122279329 /nfs/dbraw/zinc/27/93/29/1122279329.db2.gz OTTUECPAUPVANX-OWYVNGRQSA-N 0 3 298.308 3.508 20 30 CHEDHN C=C(C)C(C)(C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000424700908 1122336110 /nfs/dbraw/zinc/33/61/10/1122336110.db2.gz HZQIVOQWVLCSOQ-UHFFFAOYSA-N 0 3 274.408 3.597 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001138666392 1129048285 /nfs/dbraw/zinc/04/82/85/1129048285.db2.gz QKGJVCWJPDWZCG-ZBFHGGJFSA-N 0 3 257.377 3.626 20 30 CHEDHN C=CCOc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000430095955 1122403174 /nfs/dbraw/zinc/40/31/74/1122403174.db2.gz QOFJNWAKNKLFKG-JKSUJKDBSA-N 0 3 293.357 3.729 20 30 CHEDHN CCCCCCCC[C@@H](C)CC(=O)N1CCCN(C)CC1 ZINC000775144826 1122444099 /nfs/dbraw/zinc/44/40/99/1122444099.db2.gz WZRAPXYZYUGSQA-QGZVFWFLSA-N 0 3 296.499 3.927 20 30 CHEDHN C=CCOc1cccc(CN(C)Cc2cccc(OC)c2)c1 ZINC000505664128 1122457349 /nfs/dbraw/zinc/45/73/49/1122457349.db2.gz RJINNZHSFNMGDV-UHFFFAOYSA-N 0 3 297.398 3.892 20 30 CHEDHN C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183507210 1129058671 /nfs/dbraw/zinc/05/86/71/1129058671.db2.gz HJVNOORZUZBEID-AWEZNQCLSA-N 0 3 283.371 3.808 20 30 CHEDHN C#CCN(C[C@@H]1CCCC(C)(C)O1)[C@H]1CCc2ccccc21 ZINC001190530041 1122541799 /nfs/dbraw/zinc/54/17/99/1122541799.db2.gz ZBAPLJFOGJHCTB-HKUYNNGSSA-N 0 3 297.442 3.957 20 30 CHEDHN C#CC[C@@H](NCc1cccc(N(C)C)c1)c1ccccc1 ZINC000775400789 1122546459 /nfs/dbraw/zinc/54/64/59/1122546459.db2.gz MPKMUVVBGFHBMG-LJQANCHMSA-N 0 3 278.399 3.607 20 30 CHEDHN C#CC[C@H](NCc1cccc2nsnc21)c1ccccc1 ZINC000775400562 1122546534 /nfs/dbraw/zinc/54/65/34/1122546534.db2.gz PRWXOIPXMFTIMU-HNNXBMFYSA-N 0 3 293.395 3.546 20 30 CHEDHN N#CCCCNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436416267 1122548331 /nfs/dbraw/zinc/54/83/31/1122548331.db2.gz SZHBLTIWIDBQBK-UHFFFAOYSA-N 0 3 276.689 3.752 20 30 CHEDHN C=CCN(CC[C@@H]1CCOC1)Cc1ccc(Cl)s1 ZINC000437584889 1122643618 /nfs/dbraw/zinc/64/36/18/1122643618.db2.gz UQVPOCSODWOCCX-GFCCVEGCSA-N 0 3 285.840 3.816 20 30 CHEDHN CCCCCCC[C@H](C)NC(=O)N[C@@]1(C)CCCN(C)C1 ZINC001192949999 1122664052 /nfs/dbraw/zinc/66/40/52/1122664052.db2.gz WILJBKAMMIFQHR-RDJZCZTQSA-N 0 3 297.487 3.519 20 30 CHEDHN CC#CCN(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001193385548 1122688755 /nfs/dbraw/zinc/68/87/55/1122688755.db2.gz YBFJWRDLKDNEEM-LLVKDONJSA-N 0 3 286.202 3.716 20 30 CHEDHN CC[C@H]1COC(C)(C)CN1Cc1c(C)cc(C#N)cc1C ZINC001195863454 1122894897 /nfs/dbraw/zinc/89/48/97/1122894897.db2.gz TWIHITUBAMZYSB-INIZCTEOSA-N 0 3 286.419 3.565 20 30 CHEDHN CC(C)c1ncc(CN(C)CCCCC(C)(C)C#N)cn1 ZINC000440479905 1122907635 /nfs/dbraw/zinc/90/76/35/1122907635.db2.gz HZJLMSNZEBZYDJ-UHFFFAOYSA-N 0 3 288.439 3.752 20 30 CHEDHN C=CCCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775710212 1122918282 /nfs/dbraw/zinc/91/82/82/1122918282.db2.gz KBJVDDOYOUNFTM-UHFFFAOYSA-N 0 3 253.773 3.752 20 30 CHEDHN C=CCCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775710212 1122918286 /nfs/dbraw/zinc/91/82/86/1122918286.db2.gz KBJVDDOYOUNFTM-UHFFFAOYSA-N 0 3 253.773 3.752 20 30 CHEDHN C=C(C)[C@@H](NCC1(O)CCCCC1)c1ccc(F)c(F)c1 ZINC000775725055 1122925701 /nfs/dbraw/zinc/92/57/01/1122925701.db2.gz SKCGQFVIVJSHDL-MRXNPFEDSA-N 0 3 295.373 3.867 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1N(C)C ZINC000507223131 1122940548 /nfs/dbraw/zinc/94/05/48/1122940548.db2.gz YFGDCXPEOKAQAV-HNNXBMFYSA-N 0 3 293.414 3.817 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1N(C)C ZINC000507223137 1122940653 /nfs/dbraw/zinc/94/06/53/1122940653.db2.gz YFGDCXPEOKAQAV-OAHLLOKOSA-N 0 3 293.414 3.817 20 30 CHEDHN C#CC[C@@H]1CCN(CCc2c(Cl)cccc2Cl)C1 ZINC001197701227 1122967010 /nfs/dbraw/zinc/96/70/10/1122967010.db2.gz FYEBFKHYQNESOI-GFCCVEGCSA-N 0 3 282.214 3.881 20 30 CHEDHN Cc1cc(C#N)ccc1CN(Cc1ccccn1)CC(C)C ZINC001198001521 1122977965 /nfs/dbraw/zinc/97/79/65/1122977965.db2.gz RSEJPKSEXQRGJW-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN C#CCN(C[C@@H]1CCC(C)(C)O1)[C@H]1CCCc2ccccc21 ZINC001198105347 1122981749 /nfs/dbraw/zinc/98/17/49/1122981749.db2.gz WXFVQIATIUEWNL-HKUYNNGSSA-N 0 3 297.442 3.957 20 30 CHEDHN Cc1cc([C@H]2CCCCN2CCCCC(C)(C)C#N)[nH]n1 ZINC001198130147 1122981772 /nfs/dbraw/zinc/98/17/72/1122981772.db2.gz DXOZQWPVIGWXQI-MRXNPFEDSA-N 0 3 288.439 3.965 20 30 CHEDHN Cc1cc([C@H]2CCCCN2CCCCC(C)(C)C#N)n[nH]1 ZINC001198130147 1122981775 /nfs/dbraw/zinc/98/17/75/1122981775.db2.gz DXOZQWPVIGWXQI-MRXNPFEDSA-N 0 3 288.439 3.965 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CSc2ccccc21 ZINC000925092099 1123028930 /nfs/dbraw/zinc/02/89/30/1123028930.db2.gz HNDIVQZPVWYHFN-YPMHNXCESA-N 0 3 260.406 3.751 20 30 CHEDHN CC#CCN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776009245 1123035976 /nfs/dbraw/zinc/03/59/76/1123035976.db2.gz IVHZZLYKSIELSN-INIZCTEOSA-N 0 3 279.383 3.979 20 30 CHEDHN CC#CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776009245 1123035982 /nfs/dbraw/zinc/03/59/82/1123035982.db2.gz IVHZZLYKSIELSN-INIZCTEOSA-N 0 3 279.383 3.979 20 30 CHEDHN CC#CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776009245 1123035988 /nfs/dbraw/zinc/03/59/88/1123035988.db2.gz IVHZZLYKSIELSN-INIZCTEOSA-N 0 3 279.383 3.979 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000105461112 1123052546 /nfs/dbraw/zinc/05/25/46/1123052546.db2.gz JCBIPBCALQUIIS-KGLIPLIRSA-N 0 3 296.370 3.534 20 30 CHEDHN CSCC[C@@H](C)N(C)CC#Cc1ccccc1Cl ZINC000441253048 1123071241 /nfs/dbraw/zinc/07/12/41/1123071241.db2.gz KQXOFBNSQRNHLY-CYBMUJFWSA-N 0 3 281.852 3.765 20 30 CHEDHN C=CCC[C@@H](O)CN[C@H](C)c1cccc(Cl)c1Cl ZINC000183763866 1129098638 /nfs/dbraw/zinc/09/86/38/1129098638.db2.gz VZWPIAWIYQCAML-GHMZBOCLSA-N 0 3 288.218 3.971 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280803916 1123125348 /nfs/dbraw/zinc/12/53/48/1123125348.db2.gz LCWYMSDLSMPKHE-HFTRVMKXSA-N 0 3 289.419 3.723 20 30 CHEDHN CCCCCCCN1CC(C)(CNC(=O)OC(C)(C)C)C1 ZINC001201797676 1123150406 /nfs/dbraw/zinc/15/04/06/1123150406.db2.gz CDVUZOVZAFXHES-UHFFFAOYSA-N 0 3 298.471 3.803 20 30 CHEDHN CCCCCCCCCCN1CCO[C@@]2(CCOC2)C1 ZINC001201853039 1123152204 /nfs/dbraw/zinc/15/22/04/1123152204.db2.gz YWEFBIDAYDJMSD-KRWDZBQOSA-N 0 3 283.456 3.618 20 30 CHEDHN CCCCCCCCCN1CCn2c(cnc2C)C1 ZINC001201838663 1123154151 /nfs/dbraw/zinc/15/41/51/1123154151.db2.gz BJAWQSNXXRUEBO-UHFFFAOYSA-N 0 3 263.429 3.758 20 30 CHEDHN C=C[C@H](COC)NCc1cccc(COc2ccccc2)c1 ZINC001202093392 1123174537 /nfs/dbraw/zinc/17/45/37/1123174537.db2.gz SXJSRIDTRYFUPZ-GOSISDBHSA-N 0 3 297.398 3.556 20 30 CHEDHN Cc1cc(OCCC[C@@H](C)NCCC#N)ccc1Cl ZINC000338959916 1123203832 /nfs/dbraw/zinc/20/38/32/1123203832.db2.gz YQXHDHGYMVACRW-CYBMUJFWSA-N 0 3 280.799 3.699 20 30 CHEDHN CCCCCCCC[C@H](O)CNCc1cncc(Cl)c1 ZINC001252141209 1123229397 /nfs/dbraw/zinc/22/93/97/1123229397.db2.gz XGCYTGUCRGFPLY-INIZCTEOSA-N 0 3 298.858 3.936 20 30 CHEDHN C=CCC[C@@H](NCc1cccc(N)c1)c1ccco1 ZINC000665232084 1123234246 /nfs/dbraw/zinc/23/42/46/1123234246.db2.gz FPXIBDWZPBXSNA-OAHLLOKOSA-N 0 3 256.349 3.659 20 30 CHEDHN C=CCCC1(CNCc2ncc(Cl)n2C)CCCC1 ZINC000850351587 1123254702 /nfs/dbraw/zinc/25/47/02/1123254702.db2.gz DXJHEVVZBCAAGT-UHFFFAOYSA-N 0 3 281.831 3.690 20 30 CHEDHN C#Cc1ccc(CNC2(c3cccc(OC)c3)CCC2)cc1 ZINC000850404845 1123263463 /nfs/dbraw/zinc/26/34/63/1123263463.db2.gz FIFDTRDBOBVBLJ-UHFFFAOYSA-N 0 3 291.394 3.846 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000850472920 1123272768 /nfs/dbraw/zinc/27/27/68/1123272768.db2.gz QZCUFOLTYDZALM-OAHLLOKOSA-N 0 3 291.394 3.844 20 30 CHEDHN C[C@@H](Cc1cccc(F)c1)NCC1(C#N)CCCCC1 ZINC000850550762 1123288658 /nfs/dbraw/zinc/28/86/58/1123288658.db2.gz QQMLXROLBPDSKQ-AWEZNQCLSA-N 0 3 274.383 3.820 20 30 CHEDHN CN(Cc1cccc(F)c1C#N)[C@H]1CCc2ccccc2C1 ZINC000428240350 1123295187 /nfs/dbraw/zinc/29/51/87/1123295187.db2.gz BIUAWIQVTSVUQJ-KRWDZBQOSA-N 0 3 294.373 3.687 20 30 CHEDHN C#C[C@](C)(CC)NCc1cccc(OCc2ccccn2)c1 ZINC000852105712 1123397550 /nfs/dbraw/zinc/39/75/50/1123397550.db2.gz ZISWZUOGQMVFSU-LJQANCHMSA-N 0 3 294.398 3.552 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2nsc3ccccc32)C1 ZINC000852206949 1123399624 /nfs/dbraw/zinc/39/96/24/1123399624.db2.gz VXPSGILXVRBZKI-CYBMUJFWSA-N 0 3 270.401 3.532 20 30 CHEDHN Cc1nc2ccc(CN3CCC(CC#N)CC3)cc2s1 ZINC000335878094 1123453268 /nfs/dbraw/zinc/45/32/68/1123453268.db2.gz RCIUQZUDCHBJMW-UHFFFAOYSA-N 0 3 285.416 3.730 20 30 CHEDHN N#C[C@H]1CC[C@@H](NC2(c3cccc(Cl)c3)CC2)C1 ZINC000335880806 1123457188 /nfs/dbraw/zinc/45/71/88/1123457188.db2.gz YNIAXHOMAKJIAD-SMDDNHRTSA-N 0 3 260.768 3.611 20 30 CHEDHN CC(C)CN(Cc1cccc(C#N)c1)Cc1ccccn1 ZINC000729542874 1123489524 /nfs/dbraw/zinc/48/95/24/1123489524.db2.gz YXDIRPAXPSIERF-UHFFFAOYSA-N 0 3 279.387 3.611 20 30 CHEDHN CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000896632496 1123608361 /nfs/dbraw/zinc/60/83/61/1123608361.db2.gz JQKQJZWZVPUZKX-UHFFFAOYSA-N 0 3 298.361 3.514 20 30 CHEDHN C#CC[C@@H](CCOC)NCc1cccc(Cl)c1Cl ZINC000858331507 1123646197 /nfs/dbraw/zinc/64/61/97/1123646197.db2.gz DIEANPAVFIJVGH-LBPRGKRZSA-N 0 3 286.202 3.511 20 30 CHEDHN CCC[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000194583319 1129135950 /nfs/dbraw/zinc/13/59/50/1129135950.db2.gz SZDUONFDKOXOJC-NEPJUHHUSA-N 0 3 270.332 3.830 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cccc2c1OCO2 ZINC001141956557 1123662779 /nfs/dbraw/zinc/66/27/79/1123662779.db2.gz NAIOWKHEYJJNEB-UHFFFAOYSA-N 0 3 295.382 3.994 20 30 CHEDHN CC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1ccccc1[O-] ZINC000859232606 1123692173 /nfs/dbraw/zinc/69/21/73/1123692173.db2.gz NHJWQLZOCCRPCC-QGZVFWFLSA-N 0 3 280.371 3.813 20 30 CHEDHN CC(C)(C)[C@H]1CN(CCCCC2(C#N)CCC2)CCO1 ZINC000930268040 1123701654 /nfs/dbraw/zinc/70/16/54/1123701654.db2.gz LYHVMTKNMLQHDW-OAHLLOKOSA-N 0 3 278.440 3.597 20 30 CHEDHN COc1cc(CN[C@H]2CCc3cc(C)ccc32)ccc1C#N ZINC000281655561 1123735011 /nfs/dbraw/zinc/73/50/11/1123735011.db2.gz KJRLIMFWRSFCIZ-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN C=CCCCN(C)CC(=O)N[C@H](CCC)c1ccccc1 ZINC000346959592 1123736874 /nfs/dbraw/zinc/73/68/74/1123736874.db2.gz ISESSHCKMRXQOK-QGZVFWFLSA-N 0 3 288.435 3.542 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCC=C3)n1 ZINC000336334505 1123762544 /nfs/dbraw/zinc/76/25/44/1123762544.db2.gz NKVSYFFWNRWLHZ-HNNXBMFYSA-N 0 3 294.379 3.901 20 30 CHEDHN C=CC[C@H](C)N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000542496380 1123795879 /nfs/dbraw/zinc/79/58/79/1123795879.db2.gz NVAHQSVVJXZKPN-SUMWQHHRSA-N 0 3 270.351 3.864 20 30 CHEDHN C#C[C@@H](N[C@@H](C)C1CC(F)(F)C1)c1ccc(F)cc1 ZINC000862373574 1123804854 /nfs/dbraw/zinc/80/48/54/1123804854.db2.gz GJSOHHZTUJKRHW-IINYFYTJSA-N 0 3 267.294 3.523 20 30 CHEDHN Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)cc2C)n1 ZINC000186259052 1123820423 /nfs/dbraw/zinc/82/04/23/1123820423.db2.gz ZPWFSYCHVHERNK-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN N#Cc1cccc(CN2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800979 1123855918 /nfs/dbraw/zinc/85/59/18/1123855918.db2.gz ZEOCIMHYOSOKAF-GOSISDBHSA-N 0 3 294.423 3.848 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2OC2CCC2)C1 ZINC000193001184 1123869773 /nfs/dbraw/zinc/86/97/73/1123869773.db2.gz XWJDHWJPZIGTGF-GDBMZVCRSA-N 0 3 284.403 3.790 20 30 CHEDHN CC(C)(C)[C@H]1CCN(Cc2cccc(F)c2C#N)C1 ZINC000428358459 1124011767 /nfs/dbraw/zinc/01/17/67/1124011767.db2.gz HFQHSGATJZQJGA-ZDUSSCGKSA-N 0 3 260.356 3.565 20 30 CHEDHN N#Cc1ccc(CN2CCCC23CCC3)c(Cl)c1 ZINC000444776419 1124063885 /nfs/dbraw/zinc/06/38/85/1124063885.db2.gz BRMVJOSNZPHCKV-UHFFFAOYSA-N 0 3 260.768 3.730 20 30 CHEDHN C=CCN(C)Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000428381380 1124069207 /nfs/dbraw/zinc/06/92/07/1124069207.db2.gz OGACFORRAXYOJW-UHFFFAOYSA-N 0 3 277.408 3.738 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OC(F)F)cc2F)C1 ZINC000866541733 1124080515 /nfs/dbraw/zinc/08/05/15/1124080515.db2.gz RUOWCUSEXZGAPX-CMPLNLGQSA-N 0 3 298.308 3.599 20 30 CHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cc2cnccc2o1 ZINC000866621276 1124090170 /nfs/dbraw/zinc/09/01/70/1124090170.db2.gz PXNLZERPVRLRGU-OBJOEFQTSA-N 0 3 269.348 3.561 20 30 CHEDHN C=CCCC[C@H](C)NCc1nc2cc(F)ccc2o1 ZINC000634974645 1129168420 /nfs/dbraw/zinc/16/84/20/1129168420.db2.gz HJSDSLZXJIBPCX-NSHDSACASA-N 0 3 262.328 3.801 20 30 CHEDHN CCCOC1CCN(Cc2ccc(C#N)c(CC)c2)CC1 ZINC001238774080 1131245257 /nfs/dbraw/zinc/24/52/57/1131245257.db2.gz GMAPEJHOSWVFQJ-UHFFFAOYSA-N 0 3 286.419 3.512 20 30 CHEDHN N#CC[C@H]1CCCN([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170934246 1131258467 /nfs/dbraw/zinc/25/84/67/1131258467.db2.gz LUVMEHWFPVPZAT-UKRRQHHQSA-N 0 3 288.822 3.823 20 30 CHEDHN CCc1ccccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000123612657 1124615159 /nfs/dbraw/zinc/61/51/59/1124615159.db2.gz HIODYRQYMROOBA-HNNXBMFYSA-N 0 3 294.398 3.830 20 30 CHEDHN C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc([O-])c1F ZINC000872070544 1124674620 /nfs/dbraw/zinc/67/46/20/1124674620.db2.gz FYQHMULWPSXMFT-NSHDSACASA-N 0 3 264.344 3.512 20 30 CHEDHN C=C(C)CN(CCc1cccc(C)c1)Cc1ccc(CO)o1 ZINC000449321766 1124693247 /nfs/dbraw/zinc/69/32/47/1124693247.db2.gz NDRPRBAAOQHAPC-UHFFFAOYSA-N 0 3 299.414 3.701 20 30 CHEDHN C=CCOc1ccc(CNC2(C)CC(F)(F)C2)cc1OC ZINC000873197843 1124751357 /nfs/dbraw/zinc/75/13/57/1124751357.db2.gz FPVAJAZXTHQAQM-UHFFFAOYSA-N 0 3 297.345 3.537 20 30 CHEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C(C)(C)CC(C)(C)C ZINC001123233624 1131309287 /nfs/dbraw/zinc/30/92/87/1131309287.db2.gz LVPWGJKYNRRLMG-SNVBAGLBSA-N 0 3 295.814 3.712 20 30 CHEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCC1CCCCC1 ZINC001123338243 1131310881 /nfs/dbraw/zinc/31/08/81/1131310881.db2.gz ZJCUWKMLZKVQKD-GFCCVEGCSA-N 0 3 293.798 3.610 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1cnc(CCC)o1 ZINC000449630172 1124825603 /nfs/dbraw/zinc/82/56/03/1124825603.db2.gz VBDLAEUCZIARKD-CYBMUJFWSA-N 0 3 250.386 3.852 20 30 CHEDHN CCCC[C@@H](CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123477716 1131315776 /nfs/dbraw/zinc/31/57/76/1131315776.db2.gz WPLLWMISXIWNSU-ZYHUDNBSSA-N 0 3 280.318 3.752 20 30 CHEDHN CCCCCCCCCOC(=O)Nc1ccnc(CN)c1 ZINC001239312424 1131315017 /nfs/dbraw/zinc/31/50/17/1131315017.db2.gz ZBEGMJCZXIIJDQ-UHFFFAOYSA-N 0 3 293.411 3.839 20 30 CHEDHN C[C@H]1CC(C(=O)C(C#N)c2ncc(F)cc2F)C[C@H](C)C1 ZINC001123477174 1131315353 /nfs/dbraw/zinc/31/53/53/1131315353.db2.gz RFBGNAIYYFJCAD-GIPNMCIBSA-N 0 3 292.329 3.608 20 30 CHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000876992592 1124994389 /nfs/dbraw/zinc/99/43/89/1124994389.db2.gz HFHWQNGUVRNPFV-QMTHXVAHSA-N 0 3 280.799 3.609 20 30 CHEDHN Cc1cccc([C@H](C)CNCc2cc(C#N)cnc2Cl)c1 ZINC000877061902 1125003336 /nfs/dbraw/zinc/00/33/36/1125003336.db2.gz UHEPLOPBEQIHIJ-CYBMUJFWSA-N 0 3 299.805 3.808 20 30 CHEDHN CC(C)CC1(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877087580 1125008919 /nfs/dbraw/zinc/00/89/19/1125008919.db2.gz MOYODSPHGZVXIT-UHFFFAOYSA-N 0 3 277.799 3.523 20 30 CHEDHN Cc1ccc(C[C@@H]2CCCN2CC2(C#N)CCC2)cc1 ZINC000450404803 1125014138 /nfs/dbraw/zinc/01/41/38/1125014138.db2.gz PAXMWVKEAUHOKP-KRWDZBQOSA-N 0 3 268.404 3.696 20 30 CHEDHN C#C[C@H](N[C@H]1CCCSCC1)c1ccc(Cl)cc1 ZINC000825949032 1125020410 /nfs/dbraw/zinc/02/04/10/1125020410.db2.gz OFRQBPLSPWISIY-GJZGRUSLSA-N 0 3 279.836 3.890 20 30 CHEDHN C=CCN(C)Cc1cc2nc(Cl)ccc2s1 ZINC000877426062 1125028262 /nfs/dbraw/zinc/02/82/62/1125028262.db2.gz JELLXKGBPJWMBI-UHFFFAOYSA-N 0 3 252.770 3.568 20 30 CHEDHN C#CCCCCCC[NH2+][C@H](C)c1nnc([C@@H](C)CC)[n-]1 ZINC000877474866 1125030348 /nfs/dbraw/zinc/03/03/48/1125030348.db2.gz ICZBBNQZRSFYGI-UONOGXRCSA-N 0 3 276.428 3.553 20 30 CHEDHN C#C[C@@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1 ZINC000877544115 1125042568 /nfs/dbraw/zinc/04/25/68/1125042568.db2.gz METNIIDLKADTNH-IAGOWNOFSA-N 0 3 287.378 3.581 20 30 CHEDHN CC(C)(C)Oc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000877622581 1125055033 /nfs/dbraw/zinc/05/50/33/1125055033.db2.gz QWIQIXHCKZEQCD-HNNXBMFYSA-N 0 3 286.419 3.990 20 30 CHEDHN Cc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c([O-])c1 ZINC000877623347 1125055258 /nfs/dbraw/zinc/05/52/58/1125055258.db2.gz NEKJHEKTMMVLEV-UHFFFAOYSA-N 0 3 280.371 3.597 20 30 CHEDHN C[C@@H](NC[C@H]1CCCC1(F)F)c1ccc(C#N)cc1F ZINC000450718512 1125088363 /nfs/dbraw/zinc/08/83/63/1125088363.db2.gz NXWOTJPVQZGAPO-ZYHUDNBSSA-N 0 3 282.309 3.783 20 30 CHEDHN CC(C)CN(CCC#N)CC[C@H]1CCCC1(F)F ZINC000878121846 1125122392 /nfs/dbraw/zinc/12/23/92/1125122392.db2.gz OKYOPNQBCKCSSX-CYBMUJFWSA-N 0 3 258.356 3.684 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CCCC1 ZINC000530971296 1125189306 /nfs/dbraw/zinc/18/93/06/1125189306.db2.gz UZLUMNIBSDGTRE-QZTJIDSGSA-N 0 3 268.404 3.948 20 30 CHEDHN CN(CCc1cccc(C#N)c1)C[C@]1(C)CC1(Cl)Cl ZINC000879432224 1125214094 /nfs/dbraw/zinc/21/40/94/1125214094.db2.gz GAZSLKGMPAHOSU-AWEZNQCLSA-N 0 3 297.229 3.616 20 30 CHEDHN C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1[O-] ZINC000879650917 1125224347 /nfs/dbraw/zinc/22/43/47/1125224347.db2.gz WWJBAYVTWHDELZ-ZDUSSCGKSA-N 0 3 260.381 3.763 20 30 CHEDHN C=C(C)COCCNCc1cc(C)c(C)cc1OC(F)F ZINC000531630730 1125225895 /nfs/dbraw/zinc/22/58/95/1125225895.db2.gz YYCORCWPAQEPMH-UHFFFAOYSA-N 0 3 299.361 3.587 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@](C)(C(F)(F)F)C1 ZINC000880000747 1125244235 /nfs/dbraw/zinc/24/42/35/1125244235.db2.gz KGLFGAVMPURHQQ-FZMZJTMJSA-N 0 3 282.309 3.894 20 30 CHEDHN N#CCC1(CN2C[C@@H]3CC[C@H]2c2ccccc23)CC1 ZINC000880539458 1125278752 /nfs/dbraw/zinc/27/87/52/1125278752.db2.gz YYHKMGJFTKHYJD-BBRMVZONSA-N 0 3 252.361 3.615 20 30 CHEDHN CC(C)Oc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000051400930 1125354960 /nfs/dbraw/zinc/35/49/60/1125354960.db2.gz IVTXCJXQDLAEKJ-UHFFFAOYSA-N 0 3 294.398 3.977 20 30 CHEDHN C=C(Br)CN[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131214696 1125377421 /nfs/dbraw/zinc/37/74/21/1125377421.db2.gz CEMCVAKWPBCXGD-UONOGXRCSA-N 0 3 280.209 3.821 20 30 CHEDHN C=CCC[C@@H](NCc1oc(CCC)nc1C)[C@@H]1CCCO1 ZINC000883224308 1125380195 /nfs/dbraw/zinc/38/01/95/1125380195.db2.gz JLUNARKYHVADLD-CABCVRRESA-N 0 3 292.423 3.539 20 30 CHEDHN C=CCCC[C@H](NCc1ccc[nH]c1=O)c1ccccc1 ZINC000883239655 1125381924 /nfs/dbraw/zinc/38/19/24/1125381924.db2.gz PYLFWTILMLSAAL-KRWDZBQOSA-N 0 3 282.387 3.974 20 30 CHEDHN CC(C)Oc1cc(Cl)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000883267687 1125389562 /nfs/dbraw/zinc/38/95/62/1125389562.db2.gz NELVJWSXPVJQJS-SWLSCSKDSA-N 0 3 292.810 3.909 20 30 CHEDHN C=CCCC[C@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000883326492 1125397132 /nfs/dbraw/zinc/39/71/32/1125397132.db2.gz CQYJONVECWNTNL-PBHICJAKSA-N 0 3 297.402 3.930 20 30 CHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CCC2 ZINC000037748351 1129264516 /nfs/dbraw/zinc/26/45/16/1129264516.db2.gz UFQGWRIUFDSTRU-AWEZNQCLSA-N 0 3 276.383 3.898 20 30 CHEDHN N#CC(C(=O)CCC1CC1)c1ccc2ccccc2n1 ZINC000734706217 1129318129 /nfs/dbraw/zinc/31/81/29/1129318129.db2.gz WASABXSHSIGXEG-CQSZACIVSA-N 0 3 264.328 3.601 20 30 CHEDHN C=CC[C@@H](CC)NCc1nc(C)c(Br)s1 ZINC000719231084 1129323414 /nfs/dbraw/zinc/32/34/14/1129323414.db2.gz OCQPGXFEMLUKMK-SECBINFHSA-N 0 3 289.242 3.658 20 30 CHEDHN C=CCCCN(CC)CC(=O)Nc1cc(Cl)ccc1C ZINC000735491522 1129349692 /nfs/dbraw/zinc/34/96/92/1129349692.db2.gz AOWGEXZNSHOHOI-UHFFFAOYSA-N 0 3 294.826 3.875 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CC=CCC2)c([O-])c1 ZINC000735978850 1129361411 /nfs/dbraw/zinc/36/14/11/1129361411.db2.gz MYKJPDBSDVGFAK-LUJRCDHRSA-N 0 3 272.392 3.766 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)c1ccsc1 ZINC000739154735 1129401203 /nfs/dbraw/zinc/40/12/03/1129401203.db2.gz DHISFNKTGLSHNY-CMPLNLGQSA-N 0 3 296.351 3.869 20 30 CHEDHN C=CCCCCCN(C)Cc1cccc2c1OCCO2 ZINC000739931593 1129410082 /nfs/dbraw/zinc/41/00/82/1129410082.db2.gz TYGLAEAEDJKBIX-UHFFFAOYSA-N 0 3 275.392 3.636 20 30 CHEDHN CCCCCCCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000741789336 1129453260 /nfs/dbraw/zinc/45/32/60/1129453260.db2.gz ZCXBSQFRJJIXAI-QGZVFWFLSA-N 0 3 289.467 3.731 20 30 CHEDHN C#CCCCNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000742385165 1129474038 /nfs/dbraw/zinc/47/40/38/1129474038.db2.gz XZMREZPHUHYXEW-UHFFFAOYSA-N 0 3 290.819 3.967 20 30 CHEDHN CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000743495398 1129528495 /nfs/dbraw/zinc/52/84/95/1129528495.db2.gz FEGUQMLEXOMVAV-ZDUSSCGKSA-N 0 3 296.370 3.513 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cccc(Cl)n1 ZINC000743842857 1129541291 /nfs/dbraw/zinc/54/12/91/1129541291.db2.gz NFPGEEOVTMRHDT-UHFFFAOYSA-N 0 3 286.806 3.966 20 30 CHEDHN COc1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1F ZINC000746124666 1129627065 /nfs/dbraw/zinc/62/70/65/1129627065.db2.gz QTWIEAGHZGSWCQ-CYBMUJFWSA-N 0 3 298.361 3.899 20 30 CHEDHN C=C(CC)CNCc1cnn(Cc2ccccc2Cl)c1 ZINC000648840023 1129627858 /nfs/dbraw/zinc/62/78/58/1129627858.db2.gz AGGNYIHEAXMECC-UHFFFAOYSA-N 0 3 289.810 3.641 20 30 CHEDHN C=CCC[C@@H](O)CNC1(c2ccccc2Cl)CCC1 ZINC000649643684 1129665545 /nfs/dbraw/zinc/66/55/45/1129665545.db2.gz XLHZIQMQHDFGOR-CYBMUJFWSA-N 0 3 279.811 3.636 20 30 CHEDHN C#CCCCCCCN[C@@H](C)c1csc(CC)n1 ZINC001168995538 1129688568 /nfs/dbraw/zinc/68/85/68/1129688568.db2.gz OYTJWMQZCGKFJV-ZDUSSCGKSA-N 0 3 264.438 3.940 20 30 CHEDHN CCCCCCCCCN1CCNC(=O)[C@]1(C)CCC ZINC001169407402 1129724285 /nfs/dbraw/zinc/72/42/85/1129724285.db2.gz FMBQLIDOHJHXLV-KRWDZBQOSA-N 0 3 282.472 3.728 20 30 CHEDHN C=C(C)[C@@H](NCCc1ccns1)c1ccc(F)c(F)c1 ZINC001169474657 1129729641 /nfs/dbraw/zinc/72/96/41/1129729641.db2.gz VFJYIHLMZXMAEE-OAHLLOKOSA-N 0 3 294.370 3.871 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2csc([C@@H](C)OC)n2)C1 ZINC000651727767 1129746087 /nfs/dbraw/zinc/74/60/87/1129746087.db2.gz AQSBISVXDNEULQ-JHJVBQTASA-N 0 3 280.437 3.685 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2ncc(C)s2)C1 ZINC000651729601 1129746438 /nfs/dbraw/zinc/74/64/38/1129746438.db2.gz LJPUUOVQWLTAAW-YNEHKIRRSA-N 0 3 250.411 3.847 20 30 CHEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2nnc([C@H](C)CC)[n-]2)C1 ZINC000651785508 1129747962 /nfs/dbraw/zinc/74/79/62/1129747962.db2.gz FWWXWQNPTJPSSZ-RQJABVFESA-N 0 3 276.428 3.714 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651823000 1129750554 /nfs/dbraw/zinc/75/05/54/1129750554.db2.gz RQQBEJFOYYHLHV-MCIONIFRSA-N 0 3 295.785 3.790 20 30 CHEDHN C#CCCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000766920824 1129769922 /nfs/dbraw/zinc/76/99/22/1129769922.db2.gz GSRYGPLCXABOCL-HNNXBMFYSA-N 0 3 268.360 3.768 20 30 CHEDHN CCN(C)c1ccccc1CNCc1ccc(C#N)c(C)c1 ZINC000767687839 1129807757 /nfs/dbraw/zinc/80/77/57/1129807757.db2.gz HPZPONWRRXAILO-UHFFFAOYSA-N 0 3 293.414 3.613 20 30 CHEDHN C=CC[C@H](N[C@@H](C)c1cncc(C)c1)c1ccncc1 ZINC000768223174 1129844378 /nfs/dbraw/zinc/84/43/78/1129844378.db2.gz KAPOAMVQNAEHAH-YOEHRIQHSA-N 0 3 267.376 3.753 20 30 CHEDHN C=CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000768542392 1129862855 /nfs/dbraw/zinc/86/28/55/1129862855.db2.gz SWOYKFGDVIDNCG-UHFFFAOYSA-N 0 3 268.744 3.645 20 30 CHEDHN CCCCN(CCC)Cc1ccc(OC)cc1C#N ZINC001137703929 1131403995 /nfs/dbraw/zinc/40/39/95/1131403995.db2.gz ZFXOPCBWDJONML-UHFFFAOYSA-N 0 3 260.381 3.579 20 30 CHEDHN COc1ccc(CN2CCC[C@H]3CCCC[C@H]32)c(C#N)c1 ZINC001137704479 1131404509 /nfs/dbraw/zinc/40/45/09/1131404509.db2.gz HOJVVZOZTPQWGQ-RDTXWAMCSA-N 0 3 284.403 3.721 20 30 CHEDHN C#CCN(Cc1cnc2ccccc2c1)C1CCCC1 ZINC000769529977 1129915514 /nfs/dbraw/zinc/91/55/14/1129915514.db2.gz JINJUFSPBIAREX-UHFFFAOYSA-N 0 3 264.372 3.613 20 30 CHEDHN C#CCN(Cc1c(C)nn(C(C)(C)C)c1C)C1CCCC1 ZINC000769530408 1129915810 /nfs/dbraw/zinc/91/58/10/1129915810.db2.gz NSALFHXEGNJBDA-UHFFFAOYSA-N 0 3 287.451 3.633 20 30 CHEDHN C=CCCCCNCc1c(Cl)n(C)nc1C(C)C ZINC000769936065 1129933163 /nfs/dbraw/zinc/93/31/63/1129933163.db2.gz IEHMTOIMPXKKDS-UHFFFAOYSA-N 0 3 269.820 3.643 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CSC2(C)C)c([O-])c1 ZINC000801646798 1129935935 /nfs/dbraw/zinc/93/59/35/1129935935.db2.gz WGKGBGCWLWXAPL-ADFUCPMPSA-N 0 3 292.448 3.551 20 30 CHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cnccc2C)cc1 ZINC000771390925 1129979378 /nfs/dbraw/zinc/97/93/78/1129979378.db2.gz YWTXSBGYLFOTPT-CVEARBPZSA-N 0 3 294.398 3.814 20 30 CHEDHN CC[C@H](N[C@H](C)c1cccnc1)c1cccc(C#N)c1 ZINC000902726996 1130044787 /nfs/dbraw/zinc/04/47/87/1130044787.db2.gz WAQPQEZWCNOGBS-DYVFJYSZSA-N 0 3 265.360 3.755 20 30 CHEDHN CC[C@@H](NCc1cccc(COC)c1)c1cccc(C#N)c1 ZINC000902749536 1130050808 /nfs/dbraw/zinc/05/08/08/1130050808.db2.gz SYZUHFIONGNRMS-LJQANCHMSA-N 0 3 294.398 3.946 20 30 CHEDHN CC[C@H](NCc1cc(C)nc(C)c1)c1cccc(C#N)c1 ZINC000903022348 1130102163 /nfs/dbraw/zinc/10/21/63/1130102163.db2.gz ICZSRJQCVSHPQF-SFHVURJKSA-N 0 3 279.387 3.811 20 30 CHEDHN C[C@@H](NCC1(C(F)(F)F)CCCC1)c1cc(C#N)ccn1 ZINC000903070426 1130107593 /nfs/dbraw/zinc/10/75/93/1130107593.db2.gz BKZQLJGOCBMXSU-LLVKDONJSA-N 0 3 297.324 3.727 20 30 CHEDHN CC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000903083039 1130109893 /nfs/dbraw/zinc/10/98/93/1130109893.db2.gz YNJUAPCTCCFKAF-JHJVBQTASA-N 0 3 268.282 3.550 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000787308757 1130146210 /nfs/dbraw/zinc/14/62/10/1130146210.db2.gz GEVNMIZCABDELK-GDBMZVCRSA-N 0 3 270.376 3.518 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc(OCOCC)cc1 ZINC000787310577 1130147276 /nfs/dbraw/zinc/14/72/76/1130147276.db2.gz OXDSCAXVYBDZAM-INIZCTEOSA-N 0 3 275.392 3.600 20 30 CHEDHN Cc1cc(CO)cc(C)c1CN[C@@H](C)c1cccc(C#N)c1 ZINC000903307508 1130149952 /nfs/dbraw/zinc/14/99/52/1130149952.db2.gz JAJPEUVQSYVVPZ-HNNXBMFYSA-N 0 3 294.398 3.518 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@@H](c1ncccn1)C1CC1 ZINC000903330680 1130158196 /nfs/dbraw/zinc/15/81/96/1130158196.db2.gz IIKVWFNJIMEAJR-HUUCEWRRSA-N 0 3 259.397 3.652 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H](C)[C@@H]1CC ZINC001462124013 1130199822 /nfs/dbraw/zinc/19/98/22/1130199822.db2.gz COLAVNIPNCBIRN-CJNGLKHVSA-N 0 3 291.822 3.972 20 30 CHEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C1CCCCCCC1 ZINC000748804988 1130247636 /nfs/dbraw/zinc/24/76/36/1130247636.db2.gz JHXOGUMGICGGIQ-UHFFFAOYSA-N 0 3 299.418 3.541 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001254638034 1130266011 /nfs/dbraw/zinc/26/60/11/1130266011.db2.gz VXTMWTOGNKFPMK-ONGXEEELSA-N 0 3 286.272 3.626 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001254638031 1130266607 /nfs/dbraw/zinc/26/66/07/1130266607.db2.gz VXTMWTOGNKFPMK-MWLCHTKSSA-N 0 3 286.272 3.626 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCC[C@@H](CC)C2)n1 ZINC000789759201 1130275675 /nfs/dbraw/zinc/27/56/75/1130275675.db2.gz PZWOVEUSJVJDCE-IAGOWNOFSA-N 0 3 287.451 3.555 20 30 CHEDHN Cc1cc(C#N)cc(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240386617 1130286146 /nfs/dbraw/zinc/28/61/46/1130286146.db2.gz QDSYIKFIWIIHBS-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN N#CC(C(=O)CC1CCC1)c1nccc2ccccc21 ZINC000792107531 1130430463 /nfs/dbraw/zinc/43/04/63/1130430463.db2.gz WHKMRAUDXVVPHH-HNNXBMFYSA-N 0 3 264.328 3.601 20 30 CHEDHN C#CCCOc1ccc(CN(C)Cc2ccn(CC)c2)cc1 ZINC000792182296 1130437858 /nfs/dbraw/zinc/43/78/58/1130437858.db2.gz BEWPMXUSJXUKII-UHFFFAOYSA-N 0 3 296.414 3.542 20 30 CHEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000678765222 1130450713 /nfs/dbraw/zinc/45/07/13/1130450713.db2.gz GZIQVISQYOYAOE-BBRMVZONSA-N 0 3 279.449 3.775 20 30 CHEDHN CCC#C[C@@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000678797039 1130456536 /nfs/dbraw/zinc/45/65/36/1130456536.db2.gz BUPLAEJWKFJUQR-HZPDHXFCSA-N 0 3 270.420 3.739 20 30 CHEDHN C[C@H](Cc1ccccc1Cl)N1CCC[C@@H](C#N)CC1 ZINC001170286939 1130479706 /nfs/dbraw/zinc/47/97/06/1130479706.db2.gz FVBQXYULWUOEGH-ZIAGYGMSSA-N 0 3 276.811 3.897 20 30 CHEDHN CC[C@@H](CC#N)NCCCc1cccc(C(F)(F)F)c1 ZINC001255156316 1130500064 /nfs/dbraw/zinc/50/00/64/1130500064.db2.gz ZSKVBXOZSACZDK-AWEZNQCLSA-N 0 3 284.325 3.920 20 30 CHEDHN CC[C@H](CC#N)N(CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC001255165208 1130534249 /nfs/dbraw/zinc/53/42/49/1130534249.db2.gz VUKCRMJRVZTRJM-GOEBONIOSA-N 0 3 274.408 3.640 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1nncn1-c1ccccc1 ZINC000793523495 1130563426 /nfs/dbraw/zinc/56/34/26/1130563426.db2.gz IMQNZLIFOVRWIR-INIZCTEOSA-N 0 3 298.434 3.882 20 30 CHEDHN CC(=NNC1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000758128475 1130599564 /nfs/dbraw/zinc/59/95/64/1130599564.db2.gz YRFVCEJYQNXZGL-UHFFFAOYSA-N 0 3 271.408 3.543 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(C(F)(F)F)s2)C1 ZINC000758449224 1130613324 /nfs/dbraw/zinc/61/33/24/1130613324.db2.gz YIOQXIRGAVRRLE-BDAKNGLRSA-N 0 3 274.311 3.549 20 30 CHEDHN C=CCC(CC=C)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000758531554 1130616496 /nfs/dbraw/zinc/61/64/96/1130616496.db2.gz WTYAOEZENKMZEX-SFHVURJKSA-N 0 3 299.414 3.573 20 30 CHEDHN C=CC[C@@H](Oc1cccc2c1CCN(C)C2)C(C)C ZINC001234424489 1130642789 /nfs/dbraw/zinc/64/27/89/1130642789.db2.gz QWOCMGFNXNFNMA-MRXNPFEDSA-N 0 3 259.393 3.654 20 30 CHEDHN CC(=NOC1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000812236914 1130677125 /nfs/dbraw/zinc/67/71/25/1130677125.db2.gz ZTGQEMKDSDQNOA-UHFFFAOYSA-N 0 3 272.392 3.970 20 30 CHEDHN C#CCCCCCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000780675239 1130688137 /nfs/dbraw/zinc/68/81/37/1130688137.db2.gz OLPRWTBUVMDTLJ-UHFFFAOYSA-N 0 3 286.419 3.579 20 30 CHEDHN C#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234996318 1130699834 /nfs/dbraw/zinc/69/98/34/1130699834.db2.gz FKYDTSYAYRDFMM-MRXNPFEDSA-N 0 3 291.394 3.904 20 30 CHEDHN C#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234996318 1130699836 /nfs/dbraw/zinc/69/98/36/1130699836.db2.gz FKYDTSYAYRDFMM-MRXNPFEDSA-N 0 3 291.394 3.904 20 30 CHEDHN C#C[C@H](NC[C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000812792522 1130712687 /nfs/dbraw/zinc/71/26/87/1130712687.db2.gz BGFAJUASFAKQCF-YJBOKZPZSA-N 0 3 295.357 3.656 20 30 CHEDHN C#C[C@H](N[C@H](C)Cc1cccs1)c1ccc(F)cc1 ZINC000812793496 1130716895 /nfs/dbraw/zinc/71/68/95/1130716895.db2.gz WLDIJJPMPWYGPY-WBMJQRKESA-N 0 3 273.376 3.782 20 30 CHEDHN C#C[C@H](N[C@@H](C)CCc1ccco1)c1ccc(F)cc1 ZINC000812793443 1130717797 /nfs/dbraw/zinc/71/77/97/1130717797.db2.gz UKABILRJXYKFDZ-GUYCJALGSA-N 0 3 271.335 3.704 20 30 CHEDHN Cc1ccc2c(c1)CCN(Cc1ccccc1CC#N)C2 ZINC001235528694 1130752853 /nfs/dbraw/zinc/75/28/53/1130752853.db2.gz SJIFWBWWXSDLSC-UHFFFAOYSA-N 0 3 276.383 3.619 20 30 CHEDHN CC(C)(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001235677478 1130766780 /nfs/dbraw/zinc/76/67/80/1130766780.db2.gz FCMKHCPVHMHCCU-FFGGFLGDSA-N 0 3 298.430 3.956 20 30 CHEDHN CC(C)(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001235677478 1130766785 /nfs/dbraw/zinc/76/67/85/1130766785.db2.gz FCMKHCPVHMHCCU-FFGGFLGDSA-N 0 3 298.430 3.956 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2c(c1)NCC2 ZINC001235961362 1130817887 /nfs/dbraw/zinc/81/78/87/1130817887.db2.gz AQNMXXXFNJVIHT-UHFFFAOYSA-N 0 3 278.399 3.843 20 30 CHEDHN CC[C@@H]1CCC[C@@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000783821352 1130855691 /nfs/dbraw/zinc/85/56/91/1130855691.db2.gz MLJZEDVLSDBSDI-HUUCEWRRSA-N 0 3 282.391 3.995 20 30 CHEDHN CC[C@@H]1CCC[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000783821344 1130856075 /nfs/dbraw/zinc/85/60/75/1130856075.db2.gz MLJZEDVLSDBSDI-CABCVRRESA-N 0 3 282.391 3.995 20 30 CHEDHN C=CC[C@H](NCc1ccsc1C)c1ccncc1 ZINC000815124575 1130959847 /nfs/dbraw/zinc/95/98/47/1130959847.db2.gz CYCKGCQBRFJPHM-HNNXBMFYSA-N 0 3 258.390 3.859 20 30 CHEDHN COc1cc2ccccc2cc1CN1CCC[C@H](C#N)CC1 ZINC001236675749 1130990825 /nfs/dbraw/zinc/99/08/25/1130990825.db2.gz LVBJOKFBRCFRAM-HNNXBMFYSA-N 0 3 294.398 3.974 20 30 CHEDHN CSC1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)CC1 ZINC000797568540 1130993912 /nfs/dbraw/zinc/99/39/12/1130993912.db2.gz SWEJEGWGOMMFDH-SECBINFHSA-N 0 3 294.445 3.512 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)NCc1c(F)cc(F)cc1F ZINC000815649074 1131016177 /nfs/dbraw/zinc/01/61/77/1131016177.db2.gz GXRPPTOVKVTRHI-NXEZZACHSA-N 0 3 257.299 3.794 20 30 CHEDHN N#CC(C(=O)[C@H]1CC2CCC1CC2)c1nc2ccccc2[nH]1 ZINC000815897761 1131031136 /nfs/dbraw/zinc/03/11/36/1131031136.db2.gz GQKIZBOIIBZQGT-HOAMVYINSA-N 0 3 293.370 3.565 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001237001788 1131035124 /nfs/dbraw/zinc/03/51/24/1131035124.db2.gz KJVWJGIZNAHTHH-HNNXBMFYSA-N 0 3 294.373 3.733 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccccc2OC(C)(C)C)C1 ZINC001237031185 1131037079 /nfs/dbraw/zinc/03/70/79/1131037079.db2.gz JHJRGAMLYRSMDK-OAHLLOKOSA-N 0 3 271.404 3.709 20 30 CHEDHN Cc1cc(F)cc(C)c1CN1CCC[C@H](C#N)CC1 ZINC001237321143 1131083584 /nfs/dbraw/zinc/08/35/84/1131083584.db2.gz JJVYBXLTZLRJIS-AWEZNQCLSA-N 0 3 260.356 3.568 20 30 CHEDHN C=CCN(C)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237665726 1131125973 /nfs/dbraw/zinc/12/59/73/1131125973.db2.gz NDIATPCYVDOCCH-UHFFFAOYSA-N 0 3 253.345 3.677 20 30 CHEDHN Cc1c(Cl)cccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237733244 1131134910 /nfs/dbraw/zinc/13/49/10/1131134910.db2.gz CNEFQAJDLWZATN-XMQYKBBCSA-N 0 3 274.795 3.915 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC001237752261 1131139529 /nfs/dbraw/zinc/13/95/29/1131139529.db2.gz UFADGCIJVPEDIK-GOEBONIOSA-N 0 3 274.795 3.976 20 30 CHEDHN C=CC[C@@H](N[C@@H]1CCc2c1cccc2OC)c1ccncc1 ZINC001116296639 1131140293 /nfs/dbraw/zinc/14/02/93/1131140293.db2.gz UHALEUHOBSYRQM-QZTJIDSGSA-N 0 3 294.398 3.985 20 30 CHEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OCCCC)C1 ZINC001116639234 1131158261 /nfs/dbraw/zinc/15/82/61/1131158261.db2.gz ROSCYBRAIFDJIF-QGZVFWFLSA-N 0 3 289.419 3.642 20 30 CHEDHN COc1ccc(CNCc2cccc(C3CC3)c2)cc1C#N ZINC000817408663 1131160922 /nfs/dbraw/zinc/16/09/22/1131160922.db2.gz KVADSSMJXDHDIF-UHFFFAOYSA-N 0 3 292.382 3.734 20 30 CHEDHN CCOc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1C ZINC001238080530 1131167691 /nfs/dbraw/zinc/16/76/91/1131167691.db2.gz PCAIRVFZFWBPBT-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C2(CC2)C1 ZINC001238083764 1131169724 /nfs/dbraw/zinc/16/97/24/1131169724.db2.gz AANYPMSGIFRAPJ-NSHDSACASA-N 0 3 260.768 3.586 20 30 CHEDHN N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000818230921 1131205081 /nfs/dbraw/zinc/20/50/81/1131205081.db2.gz POSVGIDVBMXMRD-KBXCAEBGSA-N 0 3 292.382 3.841 20 30 CHEDHN Cc1cccc(C)c1CN1CCc2cc(C#N)ccc2C1 ZINC001137848169 1131423299 /nfs/dbraw/zinc/42/32/99/1131423299.db2.gz WSKNTNXFMBZVKO-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN C#CC1CCN(Cc2cc(Cl)nc3ccccc23)CC1 ZINC000830345772 1131453450 /nfs/dbraw/zinc/45/34/50/1131453450.db2.gz RZXMSQMZGBHQSY-UHFFFAOYSA-N 0 3 284.790 3.733 20 30 CHEDHN C=CCN(CC=C)Cc1c(C)n(C)c2ccccc21 ZINC001138258275 1131483078 /nfs/dbraw/zinc/48/30/78/1131483078.db2.gz OCUQHMOKLUMDIQ-UHFFFAOYSA-N 0 3 254.377 3.661 20 30 CHEDHN Cc1ccc2[nH]c(CN3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc2c1 ZINC001138420318 1131502622 /nfs/dbraw/zinc/50/26/22/1131502622.db2.gz XDIANMUXVXSEOH-FFGGFLGDSA-N 0 3 279.387 3.743 20 30 CHEDHN C#CC1CCN(Cc2ccc(C(F)(F)F)c(OC)c2)CC1 ZINC001143352565 1131515195 /nfs/dbraw/zinc/51/51/95/1131515195.db2.gz UXOANWCSLWITOX-UHFFFAOYSA-N 0 3 297.320 3.559 20 30 CHEDHN C#CCOc1ccc(CN2Cc3ccccc3C[C@@H]2C)cc1 ZINC001138560393 1131520692 /nfs/dbraw/zinc/52/06/92/1131520692.db2.gz VBROUZXZANUIDL-INIZCTEOSA-N 0 3 291.394 3.645 20 30 CHEDHN C#CCOc1ccc(CN(C)C/C=C/c2ccccc2)cc1 ZINC001138558063 1131520842 /nfs/dbraw/zinc/52/08/42/1131520842.db2.gz YRZXGQHGJRYUPX-JXMROGBWSA-N 0 3 291.394 3.844 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@](C)(F)CC2)c1[O-] ZINC001138625957 1131527853 /nfs/dbraw/zinc/52/78/53/1131527853.db2.gz YIFCOWDZSUSIIZ-KRWDZBQOSA-N 0 3 277.383 3.835 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@](C)(F)CC2)c1[O-] ZINC001138625957 1131527857 /nfs/dbraw/zinc/52/78/57/1131527857.db2.gz YIFCOWDZSUSIIZ-KRWDZBQOSA-N 0 3 277.383 3.835 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCCC[C@@](C)(F)C2)c1[O-] ZINC001138624353 1131528661 /nfs/dbraw/zinc/52/86/61/1131528661.db2.gz FFJUYFPTTAXRAR-QGZVFWFLSA-N 0 3 277.383 3.835 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c1[O-] ZINC001138624353 1131528662 /nfs/dbraw/zinc/52/86/62/1131528662.db2.gz FFJUYFPTTAXRAR-QGZVFWFLSA-N 0 3 277.383 3.835 20 30 CHEDHN C=CCc1cccc(C[NH+]2CCC(C(C)C)CC2)c1[O-] ZINC001138627827 1131528743 /nfs/dbraw/zinc/52/87/43/1131528743.db2.gz GFIHIGRFLIYPAG-UHFFFAOYSA-N 0 3 273.420 3.989 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1[O-] ZINC001138628670 1131530209 /nfs/dbraw/zinc/53/02/09/1131530209.db2.gz BSQUITZSQWZIFT-QGZVFWFLSA-N 0 3 294.398 3.505 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1[O-] ZINC001138628670 1131530212 /nfs/dbraw/zinc/53/02/12/1131530212.db2.gz BSQUITZSQWZIFT-QGZVFWFLSA-N 0 3 294.398 3.505 20 30 CHEDHN C=C(C)COc1ccccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001138665736 1131533913 /nfs/dbraw/zinc/53/39/13/1131533913.db2.gz WASRORBNKZACAA-JYJNAYRXSA-N 0 3 275.367 3.574 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC(F)CC1 ZINC001138662751 1131534481 /nfs/dbraw/zinc/53/44/81/1131534481.db2.gz BTYJBSUVMVZOAK-UHFFFAOYSA-N 0 3 263.356 3.575 20 30 CHEDHN N#Cc1ccc(CN2CCCCCCCC2)c([N+](=O)[O-])c1 ZINC000844336165 1131549643 /nfs/dbraw/zinc/54/96/43/1131549643.db2.gz BTHMAHVRFQMYHJ-UHFFFAOYSA-N 0 3 287.363 3.623 20 30 CHEDHN C=CCOc1ccccc1CN1CCC(OCCC)CC1 ZINC001139029756 1131575060 /nfs/dbraw/zinc/57/50/60/1131575060.db2.gz LMGVLWHGZBPIOC-UHFFFAOYSA-N 0 3 289.419 3.642 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc(O)cc1OC ZINC001139141784 1131585758 /nfs/dbraw/zinc/58/57/58/1131585758.db2.gz GEPQAPAXYQBPCJ-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C[C@H]1CCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139426709 1131608937 /nfs/dbraw/zinc/60/89/37/1131608937.db2.gz JPKBATUXYGUHKN-AWEZNQCLSA-N 0 3 293.370 3.587 20 30 CHEDHN N#CCC1CCN(Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139517968 1131612821 /nfs/dbraw/zinc/61/28/21/1131612821.db2.gz IGPMEVQKLHBGRO-UHFFFAOYSA-N 0 3 291.398 3.874 20 30 CHEDHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc2ccccc2n1 ZINC000845438177 1131634227 /nfs/dbraw/zinc/63/42/27/1131634227.db2.gz KXVXLUNNJIXAEN-XHSDSOJGSA-N 0 3 290.366 3.847 20 30 CHEDHN C#Cc1ccc(CN2Cc3ccccc3C[C@@H]2C)cc1 ZINC001144578958 1131660786 /nfs/dbraw/zinc/66/07/86/1131660786.db2.gz UIQNAMHFBBODNL-HNNXBMFYSA-N 0 3 261.368 3.615 20 30 CHEDHN C#Cc1ccc(CN2CCc3c(C)cccc3C2)cc1 ZINC001144568460 1131661184 /nfs/dbraw/zinc/66/11/84/1131661184.db2.gz VUVMCXFPNNCQPT-UHFFFAOYSA-N 0 3 261.368 3.535 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H]4CCC[C@@H]4C3)c2c1 ZINC001140110945 1131665314 /nfs/dbraw/zinc/66/53/14/1131665314.db2.gz VJYOHXFYRZJZBC-LSDHHAIUSA-N 0 3 279.387 3.662 20 30 CHEDHN CN(Cc1cccs1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114283 1131665573 /nfs/dbraw/zinc/66/55/73/1131665573.db2.gz NCMNHBVWSSWBQW-UHFFFAOYSA-N 0 3 281.384 3.733 20 30 CHEDHN C=CC[C@H](N[C@H](CC)c1ccncc1)c1ccncc1 ZINC000834589631 1131685784 /nfs/dbraw/zinc/68/57/84/1131685784.db2.gz MIONSUPULVVEJR-SJORKVTESA-N 0 3 267.376 3.835 20 30 CHEDHN C=CCCCCCCCCN[C@H]1CCn2ccnc21 ZINC000834803714 1131706423 /nfs/dbraw/zinc/70/64/23/1131706423.db2.gz XLBAKCOYZJDWNC-HNNXBMFYSA-N 0 3 261.413 3.834 20 30 CHEDHN C#Cc1cccc(CN[C@@H](CCC)c2cccnc2)c1 ZINC000834901578 1131724503 /nfs/dbraw/zinc/72/45/03/1131724503.db2.gz AARBGSQYQOJIET-SFHVURJKSA-N 0 3 264.372 3.694 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000834904393 1131727551 /nfs/dbraw/zinc/72/75/51/1131727551.db2.gz XUOKJFMSPRBFNQ-IBGZPJMESA-N 0 3 277.367 3.541 20 30 CHEDHN C#CC[C@H](C)Oc1ccc2ccccc2c1CN(C)C ZINC001228441956 1131885446 /nfs/dbraw/zinc/88/54/46/1131885446.db2.gz OZDYCBSQCAJURF-AWEZNQCLSA-N 0 3 267.372 3.692 20 30 CHEDHN C[C@@H]1CCCCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140808629 1131932384 /nfs/dbraw/zinc/93/23/84/1131932384.db2.gz XKEKQLYBXXQTCJ-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN C=C[C@@H](C#CC(C)(C)C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228942999 1131982969 /nfs/dbraw/zinc/98/29/69/1131982969.db2.gz CGAPQAREGIROED-KRWDZBQOSA-N 0 3 283.415 3.657 20 30 CHEDHN C[C@@H]1CN(CC2(CC#N)CC2)CCc2ccc(Cl)cc21 ZINC001171718711 1132084992 /nfs/dbraw/zinc/08/49/92/1132084992.db2.gz JWBYGQICFHMGLA-CYBMUJFWSA-N 0 3 288.822 3.995 20 30 CHEDHN CN(C)Cc1ccccc1O[C@@H](C#N)c1ccccc1F ZINC001229702011 1132107888 /nfs/dbraw/zinc/10/78/88/1132107888.db2.gz OEKFJVJDRXYOKA-KRWDZBQOSA-N 0 3 284.334 3.531 20 30 CHEDHN C=CCN(Cc1ccc(C(F)(F)F)nn1)C1CCCCC1 ZINC001141502483 1132142327 /nfs/dbraw/zinc/14/23/27/1132142327.db2.gz BFVOWAPAPOKBHH-UHFFFAOYSA-N 0 3 299.340 3.816 20 30 CHEDHN Cc1csc([C@H](C)N[C@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172294808 1132166280 /nfs/dbraw/zinc/16/62/80/1132166280.db2.gz NAIUXZQCLTVGDD-YPMHNXCESA-N 0 3 285.416 3.605 20 30 CHEDHN CC[C@@H](C)OCC[C@@H](C)N1CCc2cc(C#N)ccc2C1 ZINC001172335473 1132173581 /nfs/dbraw/zinc/17/35/81/1132173581.db2.gz FDLCEWYKYBOBQK-HUUCEWRRSA-N 0 3 286.419 3.510 20 30 CHEDHN N#CCCOCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839125830 1132183547 /nfs/dbraw/zinc/18/35/47/1132183547.db2.gz KTCHCLZVRJXAFJ-KRWDZBQOSA-N 0 3 284.403 3.534 20 30 CHEDHN CCCCCCC[C@H](CC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172359382 1132188579 /nfs/dbraw/zinc/18/85/79/1132188579.db2.gz WEEVNLAZTICXTL-KKUMJFAQSA-N 0 3 286.460 3.635 20 30 CHEDHN C[C@@H](CCCC#N)N(C)Cc1ccccc1Cl ZINC001172504265 1132253313 /nfs/dbraw/zinc/25/33/13/1132253313.db2.gz FMRHVBOLIKHEFQ-LBPRGKRZSA-N 0 3 250.773 3.854 20 30 CHEDHN CCC[C@@H]1CCCCN1Cc1ccc(C#N)c(SC)n1 ZINC001141939902 1132270844 /nfs/dbraw/zinc/27/08/44/1132270844.db2.gz VPRZQOLLVRAGEB-OAHLLOKOSA-N 0 3 289.448 3.830 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172535688 1132274260 /nfs/dbraw/zinc/27/42/60/1132274260.db2.gz IEMXBYRSUFHAHW-ZACQAIPSSA-N 0 3 256.393 3.995 20 30 CHEDHN N=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(F)cn1 ZINC001172541735 1132277074 /nfs/dbraw/zinc/27/70/74/1132277074.db2.gz DKBOKBGZOGUSDB-ZBFHGGJFSA-N 0 3 297.377 3.652 20 30 CHEDHN CSc1ccccc1CN1CCC[C@@H](C#N)CC1 ZINC001231784852 1132359738 /nfs/dbraw/zinc/35/97/38/1132359738.db2.gz FNMYSJRWPPIGQT-CYBMUJFWSA-N 0 3 260.406 3.534 20 30 CHEDHN CSc1ccccc1CN1CCC[C@H](C#N)CC1 ZINC001231784855 1132361130 /nfs/dbraw/zinc/36/11/30/1132361130.db2.gz FNMYSJRWPPIGQT-ZDUSSCGKSA-N 0 3 260.406 3.534 20 30 CHEDHN CC(C)(C)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC001231804779 1132366258 /nfs/dbraw/zinc/36/62/58/1132366258.db2.gz HPPQNHQNZLJDOY-OAHLLOKOSA-N 0 3 286.419 3.990 20 30 CHEDHN Cc1cc(C)c(CN(CCC#N)C2CCCC2)c(O)c1 ZINC001231844050 1132375744 /nfs/dbraw/zinc/37/57/44/1132375744.db2.gz FZQWFZNVRMGSGQ-UHFFFAOYSA-N 0 3 272.392 3.667 20 30 CHEDHN C=CCN(Cc1ccnc(C(F)F)c1)C(C)(C)C ZINC001231890643 1132394237 /nfs/dbraw/zinc/39/42/37/1132394237.db2.gz CEOWBETURYOFNX-UHFFFAOYSA-N 0 3 254.324 3.806 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000841894482 1132401953 /nfs/dbraw/zinc/40/19/53/1132401953.db2.gz PVHCNAWNUBEMPE-KRWDZBQOSA-N 0 3 296.345 3.570 20 30 CHEDHN C[C@]1(C#N)CCN(C2CCC(Oc3ccccc3)CC2)C1 ZINC001173207051 1132415003 /nfs/dbraw/zinc/41/50/03/1132415003.db2.gz YQFLKWNPRJFQSP-VMWRSERWSA-N 0 3 284.403 3.612 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)cc1Cl ZINC001232115129 1132423879 /nfs/dbraw/zinc/42/38/79/1132423879.db2.gz FDYMPZIWWHHYIR-CJNGLKHVSA-N 0 3 274.795 3.976 20 30 CHEDHN C=CCOC1CCC(N2CCC[C@@H]2c2nccs2)CC1 ZINC001173326569 1132461427 /nfs/dbraw/zinc/46/14/27/1132461427.db2.gz KSONODOEMPWDDB-YMAMQOFZSA-N 0 3 292.448 3.794 20 30 CHEDHN N#Cc1ccnc(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC001232479573 1132475963 /nfs/dbraw/zinc/47/59/63/1132475963.db2.gz SYTDVKGKYGVXBF-HNNXBMFYSA-N 0 3 297.789 3.596 20 30 CHEDHN N#Cc1ccc2c(CN3CC[C@H]3c3ccccc3)c[nH]c2c1 ZINC001142922796 1132479627 /nfs/dbraw/zinc/47/96/27/1132479627.db2.gz WGNJEPKEKDDEAH-IBGZPJMESA-N 0 3 287.366 3.987 20 30 CHEDHN N#Cc1ccc2c(CN3CCC[C@@H]4CCC[C@@H]43)c[nH]c2c1 ZINC001142922768 1132479683 /nfs/dbraw/zinc/47/96/83/1132479683.db2.gz URQYTKZIMFKQES-KSSFIOAISA-N 0 3 279.387 3.804 20 30 CHEDHN C#CCN(CC#C)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173551649 1132493942 /nfs/dbraw/zinc/49/39/42/1132493942.db2.gz UCRMQIORIQPNNZ-ZDUSSCGKSA-N 0 3 294.225 3.883 20 30 CHEDHN C[C@@H](N)c1nc2ccccc2n1C1CCC(C)(C#N)CC1 ZINC001173587105 1132495479 /nfs/dbraw/zinc/49/54/79/1132495479.db2.gz LRQXYZUEMXCKAI-SFYCDEOASA-N 0 3 282.391 3.701 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCS[C@@H]2C)c([O-])c1 ZINC000843264720 1132509472 /nfs/dbraw/zinc/50/94/72/1132509472.db2.gz RPGSMUNRHJDFBS-QIUTTXHRSA-N 0 3 292.448 3.551 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232732841 1132509980 /nfs/dbraw/zinc/50/99/80/1132509980.db2.gz YCZAMGKNADXINI-GFCCVEGCSA-N 0 3 272.779 3.667 20 30 CHEDHN C=CCCCCN(C)Cc1cc(OC)c(C)cc1OC ZINC001232835252 1132529569 /nfs/dbraw/zinc/52/95/69/1132529569.db2.gz BMXISCUSAIAEHX-UHFFFAOYSA-N 0 3 277.408 3.800 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2cnc(CC(C)C)s2)C1 ZINC000843424706 1132532570 /nfs/dbraw/zinc/53/25/70/1132532570.db2.gz ZRQMYKAZJASCOM-AWEZNQCLSA-N 0 3 276.449 3.577 20 30 CHEDHN Cc1ccc(CN2CCC[C@@](C)(F)CC2)c(C#N)c1 ZINC001232961667 1132549883 /nfs/dbraw/zinc/54/98/83/1132549883.db2.gz CACQYHCLUORGLN-MRXNPFEDSA-N 0 3 260.356 3.581 20 30 CHEDHN CC[N@H+](Cc1ccc(C#N)cc1C)Cc1ccccc1[O-] ZINC001233082382 1132572573 /nfs/dbraw/zinc/57/25/73/1132572573.db2.gz KPIWWTKUVJVMBY-UHFFFAOYSA-N 0 3 280.371 3.594 20 30 CHEDHN CC[N@@H+](Cc1ccc(C#N)cc1C)Cc1ccccc1[O-] ZINC001233082382 1132572579 /nfs/dbraw/zinc/57/25/79/1132572579.db2.gz KPIWWTKUVJVMBY-UHFFFAOYSA-N 0 3 280.371 3.594 20 30 CHEDHN CN(Cc1cc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC001233347870 1132606116 /nfs/dbraw/zinc/60/61/16/1132606116.db2.gz FHFVIKOUFWYNTD-UHFFFAOYSA-N 0 3 293.395 3.800 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(N)cc1Cl ZINC001233376920 1132611601 /nfs/dbraw/zinc/61/16/01/1132611601.db2.gz HBRVCZBIBIHJLM-UHFFFAOYSA-N 0 3 252.789 3.710 20 30 CHEDHN CN(C)Cc1ccccc1Nc1c(F)cccc1C#N ZINC001173929920 1132642844 /nfs/dbraw/zinc/64/28/44/1132642844.db2.gz LYACJQZZKQRSLP-UHFFFAOYSA-N 0 3 269.323 3.503 20 30 CHEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)cc1F ZINC001173929339 1132642907 /nfs/dbraw/zinc/64/29/07/1132642907.db2.gz BPZGORJOGHXLSP-UHFFFAOYSA-N 0 3 269.323 3.503 20 30 CHEDHN N#Cc1cccc(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174397429 1132812590 /nfs/dbraw/zinc/81/25/90/1132812590.db2.gz ZHWMZBVVMRABGM-UHFFFAOYSA-N 0 3 289.382 3.760 20 30 CHEDHN N#Cc1c2c(sc1N=C1CCCCCCC1)CNCC2 ZINC001159159860 1132812747 /nfs/dbraw/zinc/81/27/47/1132812747.db2.gz RHHFKLCWAJIGQH-UHFFFAOYSA-N 0 3 287.432 3.915 20 30 CHEDHN Cc1cc2[nH]ccc2c(N(CCC#N)C2CCCC2)n1 ZINC001166533805 1133268364 /nfs/dbraw/zinc/26/83/64/1133268364.db2.gz HEUFDESBXQIZCJ-UHFFFAOYSA-N 0 3 268.364 3.534 20 30 CHEDHN C=CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC001203542079 1133339026 /nfs/dbraw/zinc/33/90/26/1133339026.db2.gz QLOFLLXQHYFPEM-AWEZNQCLSA-N 0 3 283.371 3.808 20 30 CHEDHN C=CC(C)(C)CCCNCc1nc2c(s1)CCC2 ZINC001203573265 1133341580 /nfs/dbraw/zinc/34/15/80/1133341580.db2.gz YEQDTROLCFAKPJ-UHFFFAOYSA-N 0 3 264.438 3.714 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc(OC(F)F)c1 ZINC001204843412 1133491803 /nfs/dbraw/zinc/49/18/03/1133491803.db2.gz XXRPBXHCGSGTSV-ZSOGYDGISA-N 0 3 292.329 3.555 20 30 CHEDHN C=CCN(CC=C)Cc1cc(C)c(C2OCCO2)cc1C ZINC001205052587 1133521773 /nfs/dbraw/zinc/52/17/73/1133521773.db2.gz KWDNYJMHINIJNQ-UHFFFAOYSA-N 0 3 287.403 3.523 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2[nH]ccc2c1 ZINC001205594815 1133592923 /nfs/dbraw/zinc/59/29/23/1133592923.db2.gz ZLBFVLKHQWBDOG-UHFFFAOYSA-N 0 3 275.355 3.672 20 30 CHEDHN CCN(Cc1ccccc1)Cc1cc(F)cc(C#N)c1 ZINC000163539680 1133609313 /nfs/dbraw/zinc/60/93/13/1133609313.db2.gz VHVAKYKKOGOBEL-UHFFFAOYSA-N 0 3 268.335 3.719 20 30 CHEDHN Cc1cccnc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001205814173 1133618419 /nfs/dbraw/zinc/61/84/19/1133618419.db2.gz WSTKSVWRBMAHBI-UHFFFAOYSA-N 0 3 290.410 3.654 20 30 CHEDHN C#C[C@H](N[C@H]1C[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC001206091200 1133655735 /nfs/dbraw/zinc/65/57/35/1133655735.db2.gz ILDMUHHWFCPCFY-TUUVXOQKSA-N 0 3 259.780 3.793 20 30 CHEDHN C=CCCCCCCCCN1CC[C@](N)(C(F)(F)F)C1 ZINC001206221425 1133672805 /nfs/dbraw/zinc/67/28/05/1133672805.db2.gz GMIBCZBDEUDRLN-CQSZACIVSA-N 0 3 292.389 3.869 20 30 CHEDHN C=C[C@@H](CCCCCCC)OCCCN1CCN(C)CC1 ZINC001206591402 1133724546 /nfs/dbraw/zinc/72/45/46/1133724546.db2.gz UDIGXQHEZPWTGM-SFHVURJKSA-N 0 3 296.499 3.556 20 30 CHEDHN C#CC[C@H]1CCN(Cc2cc(Cl)ccc2OCC)C1 ZINC001206801181 1133749663 /nfs/dbraw/zinc/74/96/63/1133749663.db2.gz TTYDTUACXANWMU-ZDUSSCGKSA-N 0 3 277.795 3.584 20 30 CHEDHN N#Cc1c(F)cccc1CN[C@@H]1CCCc2ccccc2C1 ZINC001207707992 1133841414 /nfs/dbraw/zinc/84/14/14/1133841414.db2.gz LPCWPUXYFPTXBV-QGZVFWFLSA-N 0 3 294.373 3.735 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@H](CO)c1cc(F)ccc1F ZINC001207793190 1133847576 /nfs/dbraw/zinc/84/75/76/1133847576.db2.gz DGOUPTPNJMTDCS-MLGOLLRUSA-N 0 3 283.362 3.723 20 30 CHEDHN C=CCCCCCCCCCN1C[C@H](F)C[C@H](CO)C1 ZINC001207895947 1133856341 /nfs/dbraw/zinc/85/63/41/1133856341.db2.gz HAOMNKHMJDBVLK-DLBZAZTESA-N 0 3 285.447 3.946 20 30 CHEDHN CCCCCCC/C=C/CN1CCC[C@H](n2ccnn2)C1 ZINC001208124357 1133881590 /nfs/dbraw/zinc/88/15/90/1133881590.db2.gz MRFQJTFVKONUDT-IJDCCNJMSA-N 0 3 290.455 3.832 20 30 CHEDHN CCCCN(CCC#N)CC1CCN(c2ccccc2)CC1 ZINC001208915075 1133962120 /nfs/dbraw/zinc/96/21/20/1133962120.db2.gz WQIMMCODGZFHIR-UHFFFAOYSA-N 0 3 299.462 3.919 20 30 CHEDHN C#CCN(CC(C)(C)C(=O)CC)[C@@H]1CCc2ccccc21 ZINC001208920980 1133963863 /nfs/dbraw/zinc/96/38/63/1133963863.db2.gz RSFHEVQVLILDRD-QGZVFWFLSA-N 0 3 283.415 3.614 20 30 CHEDHN C=CCCCCCCN1CCc2nc(Cl)ncc2C1 ZINC001209435319 1134018660 /nfs/dbraw/zinc/01/86/60/1134018660.db2.gz ASHGOMCIMFZUHK-UHFFFAOYSA-N 0 3 279.815 3.625 20 30 CHEDHN C=CCCCCCCCCN1CCN(CC=C)CC1 ZINC001209443702 1134022090 /nfs/dbraw/zinc/02/20/90/1134022090.db2.gz FGQFMWQHBAFGBP-UHFFFAOYSA-N 0 3 264.457 3.707 20 30 CHEDHN C=CCCCCCCCN1CCCC[C@]12CC(=O)N(C)C2 ZINC001209442084 1134022194 /nfs/dbraw/zinc/02/21/94/1134022194.db2.gz STDSXXUUWVETLN-GOSISDBHSA-N 0 3 292.467 3.600 20 30 CHEDHN C=CCCCCCCCCN1CCc2ncn(C)c2C1 ZINC001209445082 1134024395 /nfs/dbraw/zinc/02/43/95/1134024395.db2.gz FBHGGUNPLOEJPX-UHFFFAOYSA-N 0 3 275.440 3.695 20 30 CHEDHN Cc1nc2ccc(Nc3ccc(C(C)(C)C#N)nc3)cc2[nH]1 ZINC001213071307 1134419446 /nfs/dbraw/zinc/41/94/46/1134419446.db2.gz KRNVYBIMPCUBAI-UHFFFAOYSA-N 0 3 291.358 3.811 20 30 CHEDHN Cc1nc2ccc(Nc3cc(F)c(F)c(C#N)c3)cc2[nH]1 ZINC001213075700 1134423012 /nfs/dbraw/zinc/42/30/12/1134423012.db2.gz ZFBREGRPGOQUQD-UHFFFAOYSA-N 0 3 284.269 3.765 20 30 CHEDHN CC(C)(C)c1cc(Nc2c(C#N)cccc2C#N)ccn1 ZINC001213166714 1134432888 /nfs/dbraw/zinc/43/28/88/1134432888.db2.gz KFNCPISEYYGYJK-UHFFFAOYSA-N 0 3 276.343 3.866 20 30 CHEDHN N#Cc1cccc(Nc2ccnc(C3CC3)c2)c1F ZINC001216415774 1134889059 /nfs/dbraw/zinc/88/90/59/1134889059.db2.gz UPPRRKRLMAWIMV-UHFFFAOYSA-N 0 3 253.280 3.713 20 30 CHEDHN CCCCCCCC[C@@H](CC)OC[C@H]1CNCCO1 ZINC001217897174 1135020831 /nfs/dbraw/zinc/02/08/31/1135020831.db2.gz NQQLCPGDMJLTAA-HZPDHXFCSA-N 0 3 271.445 3.521 20 30 CHEDHN C=CCOc1ccccc1[C@@H](C)Oc1cccc2c1CNC2 ZINC001218347618 1135091560 /nfs/dbraw/zinc/09/15/60/1135091560.db2.gz KRSRXZMGPVLQEF-CQSZACIVSA-N 0 3 295.382 3.995 20 30 CHEDHN C#CCCCCCCCCC(=O)Nc1cccc2c1CNC2 ZINC001218993724 1135125149 /nfs/dbraw/zinc/12/51/49/1135125149.db2.gz SXQFOMMVYYZQPO-UHFFFAOYSA-N 0 3 298.430 3.982 20 30 CHEDHN C=C(C)n1c2ccccc2nc1OC1CCN(C2CC2)CC1 ZINC001226219517 1135673885 /nfs/dbraw/zinc/67/38/85/1135673885.db2.gz WYVVCODDFRDBFX-UHFFFAOYSA-N 0 3 297.402 3.533 20 30 CHEDHN COc1cc([C@@H](C)NCc2ccc(CC#N)cc2)ccc1F ZINC000573360698 334931055 /nfs/dbraw/zinc/93/10/55/334931055.db2.gz RQNALARTCPCBHN-CYBMUJFWSA-N 0 3 298.361 3.751 20 30 CHEDHN Cc1ccc2oc(CN[C@H]3CC[C@@H](C#N)C3)cc2c1 ZINC000573383506 334933878 /nfs/dbraw/zinc/93/38/78/334933878.db2.gz DDGYIRCINMDBPA-OCCSQVGLSA-N 0 3 254.333 3.523 20 30 CHEDHN CC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000347248896 529523593 /nfs/dbraw/zinc/52/35/93/529523593.db2.gz FTKRFBLHQGZCQF-KRWDZBQOSA-N 0 3 272.392 3.579 20 30 CHEDHN C[C@H]1CCC[C@@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000223522298 260305185 /nfs/dbraw/zinc/30/51/85/260305185.db2.gz HSWKHTRIRWLLHT-SWLSCSKDSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCCCN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000448025034 260579589 /nfs/dbraw/zinc/57/95/89/260579589.db2.gz BODXGQCHYSEASD-NSHDSACASA-N 0 3 283.799 3.974 20 30 CHEDHN C[C@@H](CCSc1ccccc1)N1CCC(C#N)CC1 ZINC000153337440 261077237 /nfs/dbraw/zinc/07/72/37/261077237.db2.gz HHRUAHNRPXIGRT-AWEZNQCLSA-N 0 3 274.433 3.793 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OC)c(OCCCC)c1 ZINC000497245850 262121908 /nfs/dbraw/zinc/12/19/08/262121908.db2.gz HHAPEHISEISLME-UHFFFAOYSA-N 0 3 277.408 3.882 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(C(F)F)cc2)C1 ZINC000193292856 262219707 /nfs/dbraw/zinc/21/97/07/262219707.db2.gz KFTCSVSLTJATOK-GXTWGEPZSA-N 0 3 264.319 3.796 20 30 CHEDHN C=CCC[C@H](NCc1cc(COC(C)(C)C)on1)C1CC1 ZINC000186822186 260013161 /nfs/dbraw/zinc/01/31/61/260013161.db2.gz RSPUSSBIQYDYRJ-INIZCTEOSA-N 0 3 292.423 3.824 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCC(C)(C2CC2)CC1 ZINC000352200018 533268402 /nfs/dbraw/zinc/26/84/02/533268402.db2.gz HFUPXQUCBYPNLV-UHFFFAOYSA-N 0 3 284.403 3.579 20 30 CHEDHN Cc1cc(CN2CCC[C@H]2c2ccncc2)ccc1C#N ZINC000335996964 533607185 /nfs/dbraw/zinc/60/71/85/533607185.db2.gz JXHGMYBJZCHOII-SFHVURJKSA-N 0 3 277.371 3.599 20 30 CHEDHN C[C@@H](CCNCc1nc(C#N)cs1)CC(C)(C)C ZINC000352860288 533608648 /nfs/dbraw/zinc/60/86/48/533608648.db2.gz AHNZDRMWPAZPFP-NSHDSACASA-N 0 3 265.426 3.567 20 30 CHEDHN Cc1cc(CN2C[C@H](C)C[C@H]2c2cccnc2)ccc1C#N ZINC000347218033 533634559 /nfs/dbraw/zinc/63/45/59/533634559.db2.gz HPIAXWPTXIBXBQ-KUHUBIRLSA-N 0 3 291.398 3.845 20 30 CHEDHN C[C@H](NCc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000020473426 171217325 /nfs/dbraw/zinc/21/73/25/171217325.db2.gz MCPMGTGHHCQBEY-LBPRGKRZSA-N 0 3 254.308 3.548 20 30 CHEDHN N#Cc1cccc(NC2CCN(Cc3ccccc3)CC2)c1 ZINC000020828357 171274987 /nfs/dbraw/zinc/27/49/87/171274987.db2.gz SPRPLFPDVFHQFF-UHFFFAOYSA-N 0 3 291.398 3.635 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccccc1)c1cccc(C#N)c1 ZINC000037185917 173017404 /nfs/dbraw/zinc/01/74/04/173017404.db2.gz YJVGSOKUGMJXSW-UONOGXRCSA-N 0 3 250.345 3.970 20 30 CHEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)s1 ZINC000078431241 177341008 /nfs/dbraw/zinc/34/10/08/177341008.db2.gz RJNVVYHJXHXEMD-LBPRGKRZSA-N 0 3 295.367 3.731 20 30 CHEDHN CC(C#N)C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000334791363 225322649 /nfs/dbraw/zinc/32/26/49/225322649.db2.gz QFMGFYPPPBVSCV-GOEBONIOSA-N 0 3 282.387 3.680 20 30 CHEDHN Cc1csc([C@H](C)NC2CCC(C)(C#N)CC2)n1 ZINC000334679300 225246788 /nfs/dbraw/zinc/24/67/88/225246788.db2.gz XFGAMNYWBHVSBQ-DCBWTQNWSA-N 0 3 263.410 3.575 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000347036366 226023373 /nfs/dbraw/zinc/02/33/73/226023373.db2.gz LWJSFGVMBGXVID-KGLIPLIRSA-N 0 3 298.411 3.998 20 30 CHEDHN N#Cc1ccc(C2=CCN(CC[C@@H]3CCCCO3)CC2)cc1 ZINC000347565513 226194981 /nfs/dbraw/zinc/19/49/81/226194981.db2.gz HZLHMKUOJSNIEJ-IBGZPJMESA-N 0 3 296.414 3.607 20 30 CHEDHN N#Cc1ccc(CN(Cc2ccccc2)C2CC2)cc1F ZINC000191890306 227203573 /nfs/dbraw/zinc/20/35/73/227203573.db2.gz BXTUMMJEZPKYAP-UHFFFAOYSA-N 0 3 280.346 3.862 20 30 CHEDHN N#Cc1ccc(CNCCC(F)(F)F)c(C(F)(F)F)c1 ZINC000352811621 227249360 /nfs/dbraw/zinc/24/93/60/227249360.db2.gz SXZFAQSBHWZFMR-UHFFFAOYSA-N 0 3 296.214 3.619 20 30 CHEDHN C[C@H](NCCCCC(C)(C)C#N)c1c(F)cncc1F ZINC000353218025 228070715 /nfs/dbraw/zinc/07/07/15/228070715.db2.gz JCDHAODATLQMGE-NSHDSACASA-N 0 3 281.350 3.730 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1nccc2ccccc21 ZINC000353639434 228136894 /nfs/dbraw/zinc/13/68/94/228136894.db2.gz SVWKQBFLUOSQTP-ZDUSSCGKSA-N 0 3 265.360 3.579 20 30 CHEDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1CCCC#N ZINC000352250295 228206721 /nfs/dbraw/zinc/20/67/21/228206721.db2.gz GAOQRAMZGDCCNR-HOCLYGCPSA-N 0 3 272.392 3.772 20 30 CHEDHN CCCOc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000517741305 260013843 /nfs/dbraw/zinc/01/38/43/260013843.db2.gz HZEKWIGGGUJAIX-UHFFFAOYSA-N 0 3 294.398 3.831 20 30 CHEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000158422805 260022336 /nfs/dbraw/zinc/02/23/36/260022336.db2.gz QEGRPLWZIRAGEZ-IAGOWNOFSA-N 0 3 290.407 3.615 20 30 CHEDHN C[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc(C#N)cc1 ZINC000036991911 260061488 /nfs/dbraw/zinc/06/14/88/260061488.db2.gz BSDDYYPQBSZWQR-STQMWFEESA-N 0 3 266.344 3.676 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]2CCc2ccccc2)o1 ZINC000180151235 260094545 /nfs/dbraw/zinc/09/45/45/260094545.db2.gz ZZBFTFQBWXBRJI-MRXNPFEDSA-N 0 3 280.371 3.748 20 30 CHEDHN CC(C)C1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000404276969 260095098 /nfs/dbraw/zinc/09/50/98/260095098.db2.gz SIEPPJMXKMYUMF-UHFFFAOYSA-N 0 3 260.356 3.565 20 30 CHEDHN CSc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000037505879 260113655 /nfs/dbraw/zinc/11/36/55/260113655.db2.gz GMJJBWRGKFQOMH-UHFFFAOYSA-N 0 3 268.385 3.570 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000037748256 260116051 /nfs/dbraw/zinc/11/60/51/260116051.db2.gz AJIJYFOVVCLUKR-QGZVFWFLSA-N 0 3 250.345 3.799 20 30 CHEDHN C=CCOCCNC(c1ccccc1)c1ccccc1 ZINC000312583032 260158699 /nfs/dbraw/zinc/15/86/99/260158699.db2.gz MVEWQFGUOCVHKK-UHFFFAOYSA-N 0 3 267.372 3.568 20 30 CHEDHN C=CCOc1ccc(CNCc2sccc2C)cc1 ZINC000075675476 260166206 /nfs/dbraw/zinc/16/62/06/260166206.db2.gz MAMWKABBFAYVAF-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN C=C(CC)CNCc1cc(Br)cs1 ZINC000085058711 260198607 /nfs/dbraw/zinc/19/86/07/260198607.db2.gz GEYIUMPCKLTBLH-UHFFFAOYSA-N 0 3 260.200 3.566 20 30 CHEDHN COc1ccc(CN2CCC3(CCCC3)CC2)cc1C#N ZINC000087833388 260219407 /nfs/dbraw/zinc/21/94/07/260219407.db2.gz KNKJXJRIKYVJRS-UHFFFAOYSA-N 0 3 284.403 3.723 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2F)N(CCCSCC#N)C1 ZINC000074991727 260289118 /nfs/dbraw/zinc/28/91/18/260289118.db2.gz ISSXAGRCZQSGRG-CZUORRHYSA-N 0 3 292.423 3.855 20 30 CHEDHN CC(C)(C#N)CCCNC1(c2nccs2)CCCC1 ZINC000083215102 260346474 /nfs/dbraw/zinc/34/64/74/260346474.db2.gz DMMRPZVMQYWRBC-UHFFFAOYSA-N 0 3 277.437 3.832 20 30 CHEDHN C=C(C)CCNCc1cccc(OC)c1OC(C)C ZINC000449473322 260630881 /nfs/dbraw/zinc/63/08/81/260630881.db2.gz HRDAROBSAFDTHF-UHFFFAOYSA-N 0 3 263.381 3.538 20 30 CHEDHN Cc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000155765667 261107468 /nfs/dbraw/zinc/10/74/68/261107468.db2.gz QIWBIWAFVGXOPW-CYBMUJFWSA-N 0 3 299.399 3.821 20 30 CHEDHN CC(C)(C)OC1CC(N[C@@H](CCC#N)c2ccccc2)C1 ZINC000156764895 261131388 /nfs/dbraw/zinc/13/13/88/261131388.db2.gz XQULTLRYTZSESV-JCYILVPMSA-N 0 3 286.419 3.967 20 30 CHEDHN C[C@@H](CCc1ccc(O)cc1)NCc1ccc(C#N)cc1F ZINC000162496868 261284050 /nfs/dbraw/zinc/28/40/50/261284050.db2.gz WXOZDLFUCUGWNV-ZDUSSCGKSA-N 0 3 298.361 3.514 20 30 CHEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc(F)cc1C#N ZINC000302025285 261345960 /nfs/dbraw/zinc/34/59/60/261345960.db2.gz PSJXCGAZLPAYCI-CQSZACIVSA-N 0 3 297.377 3.630 20 30 CHEDHN COc1ccc2oc([C@H](C)NCCCC#N)c(C)c2c1 ZINC000184087573 262008052 /nfs/dbraw/zinc/00/80/52/262008052.db2.gz CRZWNRJQWGYHKB-LBPRGKRZSA-N 0 3 272.348 3.704 20 30 CHEDHN N#Cc1ccc(CNC2(Cc3cccc(F)c3)CCC2)o1 ZINC000185230986 262046688 /nfs/dbraw/zinc/04/66/88/262046688.db2.gz FTLMNQBUEJEQNF-UHFFFAOYSA-N 0 3 284.334 3.545 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(OC3CCCC3)c2)C1 ZINC000185777239 262069680 /nfs/dbraw/zinc/06/96/80/262069680.db2.gz XRHZMBMBUGLKDY-HOCLYGCPSA-N 0 3 299.418 3.575 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OC3CCCC3)nc2)C1 ZINC000185784554 262070758 /nfs/dbraw/zinc/07/07/58/262070758.db2.gz FXMSMHDFINUJOB-GOEBONIOSA-N 0 3 299.418 3.575 20 30 CHEDHN CC[C@H](NCCCCC#N)c1nc(C(F)(F)F)cs1 ZINC000185940363 262072633 /nfs/dbraw/zinc/07/26/33/262072633.db2.gz ZMQCWCOUQUSBGH-VIFPVBQESA-N 0 3 291.342 3.896 20 30 CHEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000497245026 262121534 /nfs/dbraw/zinc/12/15/34/262121534.db2.gz DNIMILHXOCJXJH-UHFFFAOYSA-N 0 3 275.783 3.738 20 30 CHEDHN CC(C)(CCC#N)CN[C@H]1CCOc2c(F)cccc21 ZINC000191125673 262189460 /nfs/dbraw/zinc/18/94/60/262189460.db2.gz CLDVIUYLSWNEBX-AWEZNQCLSA-N 0 3 276.355 3.569 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000192626574 262206610 /nfs/dbraw/zinc/20/66/10/262206610.db2.gz BXDBHWLMWUFMSS-STQMWFEESA-N 0 3 298.308 3.757 20 30 CHEDHN C=CCOc1ccc(CNCc2cccc(F)c2)cc1 ZINC000020473313 262240238 /nfs/dbraw/zinc/24/02/38/262240238.db2.gz NPWLWTXRTBQHPU-UHFFFAOYSA-N 0 3 271.335 3.680 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(C)c2)cc1F ZINC000488164144 262291931 /nfs/dbraw/zinc/29/19/31/262291931.db2.gz KBSPHBIOEILQKB-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN C#CCCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000228557874 262342372 /nfs/dbraw/zinc/34/23/72/262342372.db2.gz YYZYOWSTYFAHCE-UHFFFAOYSA-N 0 3 283.331 3.667 20 30 CHEDHN N#CCCCNCc1cccc(OCc2ccccc2F)c1 ZINC000273110625 263012683 /nfs/dbraw/zinc/01/26/83/263012683.db2.gz XLZBDBSHDLTBKO-UHFFFAOYSA-N 0 3 298.361 3.798 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(SCC(F)F)cc1 ZINC000273167477 263013584 /nfs/dbraw/zinc/01/35/84/263013584.db2.gz BARBZPWENBFOHE-NSHDSACASA-N 0 3 284.375 3.998 20 30 CHEDHN Cc1nc(C(C)C)sc1[C@@H](C)NCCCC#N ZINC000273254257 263014425 /nfs/dbraw/zinc/01/44/25/263014425.db2.gz LLVXHIIIPMUFJD-SNVBAGLBSA-N 0 3 251.399 3.529 20 30 CHEDHN CC(C#N)C(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000437471106 263017028 /nfs/dbraw/zinc/01/70/28/263017028.db2.gz HWBZVZPHNSOQGA-ZDUSSCGKSA-N 0 3 296.395 3.614 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000274358484 263023428 /nfs/dbraw/zinc/02/34/28/263023428.db2.gz MNLXPZNZXYATCC-BXUZGUMPSA-N 0 3 284.325 3.918 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc2ccccc2o1 ZINC000274628944 263028081 /nfs/dbraw/zinc/02/80/81/263028081.db2.gz OKPWAGVGGRQWBK-OBJOEFQTSA-N 0 3 254.333 3.776 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1OC(F)F ZINC000274628844 263028094 /nfs/dbraw/zinc/02/80/94/263028094.db2.gz OGXDWIIEYJWLEO-QJPTWQEYSA-N 0 3 280.318 3.631 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cc2c(s1)CCCC2 ZINC000163522183 263031746 /nfs/dbraw/zinc/03/17/46/263031746.db2.gz UCCPQFRVKOJICD-CYBMUJFWSA-N 0 3 279.449 3.870 20 30 CHEDHN C[C@@H](CCC#N)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000276345387 263036247 /nfs/dbraw/zinc/03/62/47/263036247.db2.gz UXSWHAYAXZXZPP-NSHDSACASA-N 0 3 286.297 3.709 20 30 CHEDHN C[C@H](CCC#N)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000276345382 263036256 /nfs/dbraw/zinc/03/62/56/263036256.db2.gz UXSWHAYAXZXZPP-LLVKDONJSA-N 0 3 286.297 3.709 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC[C@@H]1c1ccncc1 ZINC000277843249 263043945 /nfs/dbraw/zinc/04/39/45/263043945.db2.gz XCJUKVCKEBGEKI-MRXNPFEDSA-N 0 3 271.408 3.939 20 30 CHEDHN CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278701794 263049792 /nfs/dbraw/zinc/04/97/92/263049792.db2.gz SZUMINKAPCOPNS-CHWSQXEVSA-N 0 3 298.308 3.709 20 30 CHEDHN COc1ccc([C@H](C)NCCc2cccc(C#N)c2)c(F)c1 ZINC000467432146 263083404 /nfs/dbraw/zinc/08/34/04/263083404.db2.gz IWYKZIWSHGXJJV-ZDUSSCGKSA-N 0 3 298.361 3.599 20 30 CHEDHN C=CCC[C@H](NCCc1nccs1)c1ccco1 ZINC000286111716 263097055 /nfs/dbraw/zinc/09/70/55/263097055.db2.gz NRAJCPRWDVYIOC-LBPRGKRZSA-N 0 3 262.378 3.576 20 30 CHEDHN C[C@H]1CN(CCCC(C)(C)C#N)Cc2ccccc2O1 ZINC000292337271 263131206 /nfs/dbraw/zinc/13/12/06/263131206.db2.gz GMEOUFDLVMBILT-AWEZNQCLSA-N 0 3 272.392 3.599 20 30 CHEDHN CC(F)(F)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000293841702 263150965 /nfs/dbraw/zinc/15/09/65/263150965.db2.gz XUHXRUJMCWRMLB-ZFWWWQNUSA-N 0 3 278.346 3.970 20 30 CHEDHN CC(C)c1cccc2c1CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000294672318 263165789 /nfs/dbraw/zinc/16/57/89/263165789.db2.gz RWPUDVAQOPULRE-HOCLYGCPSA-N 0 3 268.404 3.860 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccccc1SCC ZINC000453335538 263240257 /nfs/dbraw/zinc/24/02/57/263240257.db2.gz AHNREVQPZKUTRB-KBPBESRZSA-N 0 3 279.449 3.776 20 30 CHEDHN C=CCC1(CN[C@H](C)c2nccnc2C)CCCC1 ZINC000453361557 263252165 /nfs/dbraw/zinc/25/21/65/263252165.db2.gz KJMXCZHDEOWJAW-CQSZACIVSA-N 0 3 259.397 3.572 20 30 CHEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000299697096 263252241 /nfs/dbraw/zinc/25/22/41/263252241.db2.gz OMAWZGUQHIVUQO-GHMZBOCLSA-N 0 3 268.307 3.631 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(N(C)C)c1 ZINC000187711274 263266972 /nfs/dbraw/zinc/26/69/72/263266972.db2.gz BQLDFOUWNJYZJI-OAHLLOKOSA-N 0 3 293.414 3.817 20 30 CHEDHN C#CCCCCC(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000120294788 263283827 /nfs/dbraw/zinc/28/38/27/263283827.db2.gz SWNDYCXAOJQQNI-UHFFFAOYSA-N 0 3 298.430 3.723 20 30 CHEDHN CC[C@H](NCCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000353672181 263367002 /nfs/dbraw/zinc/36/70/02/263367002.db2.gz MXKAUFKHDAIPPJ-ZDUSSCGKSA-N 0 3 286.297 3.930 20 30 CHEDHN CC(C)(CCC#N)CNCc1nc2ccc(F)cc2s1 ZINC000342312310 263418945 /nfs/dbraw/zinc/41/89/45/263418945.db2.gz WMEXFUOZANPCFD-UHFFFAOYSA-N 0 3 291.395 3.855 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N1Cc1cn2ccccc2c1C#N ZINC000342341823 263423505 /nfs/dbraw/zinc/42/35/05/263423505.db2.gz UPLLRZXLGSGZEM-ZIAGYGMSSA-N 0 3 267.376 3.574 20 30 CHEDHN C[C@@H]1CCC[C@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1C ZINC000330790916 264054132 /nfs/dbraw/zinc/05/41/32/264054132.db2.gz ABPILIDDKVQEFT-GUYJKWIASA-N 0 3 285.391 3.549 20 30 CHEDHN Cc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000425367327 264212288 /nfs/dbraw/zinc/21/22/88/264212288.db2.gz SKTITJNKTPTZJK-HNNXBMFYSA-N 0 3 289.382 3.931 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)NCC(=O)Nc1ccc(C)cc1Cl ZINC000425367975 264213652 /nfs/dbraw/zinc/21/36/52/264213652.db2.gz JFGMBOACMKXQAP-OLZOCXBDSA-N 0 3 294.826 3.777 20 30 CHEDHN CN(Cc1ccc(C#N)s1)CC1(c2ccccc2)CC1 ZINC000188714424 264243367 /nfs/dbraw/zinc/24/33/67/264243367.db2.gz RBZBOGSZAROQAU-UHFFFAOYSA-N 0 3 282.412 3.783 20 30 CHEDHN CSC[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000157252785 264263232 /nfs/dbraw/zinc/26/32/32/264263232.db2.gz DQZXJMNNIXHBHS-HNNXBMFYSA-N 0 3 279.836 3.519 20 30 CHEDHN CCS[C@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000189492349 264302701 /nfs/dbraw/zinc/30/27/01/264302701.db2.gz PQUCQOGHHYXWIE-HOTGVXAUSA-N 0 3 292.423 3.851 20 30 CHEDHN CC(C)Oc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000189581664 264310175 /nfs/dbraw/zinc/31/01/75/264310175.db2.gz XFUCSUXUJPWCCA-AWEZNQCLSA-N 0 3 297.402 3.535 20 30 CHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc2ccccc21 ZINC000189578784 264310421 /nfs/dbraw/zinc/31/04/21/264310421.db2.gz GRCBBHZVLBIIAZ-AWEZNQCLSA-N 0 3 289.382 3.901 20 30 CHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)CCCC2 ZINC000189584803 264310924 /nfs/dbraw/zinc/31/09/24/264310924.db2.gz YFLDDGJASQGABR-AWEZNQCLSA-N 0 3 293.414 3.626 20 30 CHEDHN Cc1cncc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000189815427 264327606 /nfs/dbraw/zinc/32/76/06/264327606.db2.gz BBNJPIRPANUDPB-UHFFFAOYSA-N 0 3 279.387 3.672 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000076737202 264342718 /nfs/dbraw/zinc/34/27/18/264342718.db2.gz UCJSSLYZFRFFPB-HNNXBMFYSA-N 0 3 274.408 3.528 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(F)cc1F ZINC000280719345 264458830 /nfs/dbraw/zinc/45/88/30/264458830.db2.gz UVTGDNUUSUNBRI-OZVIIMIRSA-N 0 3 281.346 3.597 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(C(C)(C)C)n1 ZINC000280736204 264460074 /nfs/dbraw/zinc/46/00/74/264460074.db2.gz WJZJBNIPPKMDIY-JSGCOSHPSA-N 0 3 294.464 3.511 20 30 CHEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCCC1 ZINC000424995175 265000682 /nfs/dbraw/zinc/00/06/82/265000682.db2.gz KCVCHSDXTKUQBN-CRAIPNDOSA-N 0 3 298.430 3.844 20 30 CHEDHN CC[C@H](NCc1cc(C#N)cs1)c1cccs1 ZINC000093492502 265183301 /nfs/dbraw/zinc/18/33/01/265183301.db2.gz JXLBJYAHADHDIE-LBPRGKRZSA-N 0 3 262.403 3.922 20 30 CHEDHN CCC1(CC)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000094802964 265256655 /nfs/dbraw/zinc/25/66/55/265256655.db2.gz MKESUQREKTXQCP-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000520234869 265699454 /nfs/dbraw/zinc/69/94/54/265699454.db2.gz HDUWKJHEXVCSFN-ZFWWWQNUSA-N 0 3 287.363 3.525 20 30 CHEDHN CC(C)CSCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353266114 266036971 /nfs/dbraw/zinc/03/69/71/266036971.db2.gz JCDPWCMWKMMOIE-INIZCTEOSA-N 0 3 274.433 3.524 20 30 CHEDHN COc1cc(CN2CCC(C)(C3CC3)CC2)ccc1C#N ZINC000356296228 266090303 /nfs/dbraw/zinc/09/03/03/266090303.db2.gz OAYONLPKAMPMNS-UHFFFAOYSA-N 0 3 284.403 3.579 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(-c3cccnc3)cc2)C1 ZINC000368155336 267149788 /nfs/dbraw/zinc/14/97/88/267149788.db2.gz ZMWDBEBOPWFEIM-VQIMIIECSA-N 0 3 291.398 3.921 20 30 CHEDHN N#CC1(CN[C@@H]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000418141554 267363405 /nfs/dbraw/zinc/36/34/05/267363405.db2.gz LEUHJZMPGROWLA-JKSUJKDBSA-N 0 3 254.377 3.606 20 30 CHEDHN C[C@H](CCc1c(F)cccc1F)NCC1(C#N)CCC1 ZINC000418143277 267365223 /nfs/dbraw/zinc/36/52/23/267365223.db2.gz PAQHBXWAPMKVPF-GFCCVEGCSA-N 0 3 278.346 3.569 20 30 CHEDHN CSc1ccccc1C[C@H](C)NCC1(C#N)CCC1 ZINC000418135670 267367454 /nfs/dbraw/zinc/36/74/54/267367454.db2.gz BIFATYWLEHZMMZ-ZDUSSCGKSA-N 0 3 274.433 3.623 20 30 CHEDHN CC(C)[C@H](CNCC1(C#N)CCC1)c1ccccc1 ZINC000418135989 267367842 /nfs/dbraw/zinc/36/78/42/267367842.db2.gz BPLDVIYVWCBXIV-INIZCTEOSA-N 0 3 256.393 3.710 20 30 CHEDHN C[C@H](NCC1(C2CC2)CC1)c1ccc(C#N)cc1F ZINC000358577758 328887411 /nfs/dbraw/zinc/88/74/11/328887411.db2.gz VAHFKBFIXJRNKL-NSHDSACASA-N 0 3 258.340 3.538 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000580174925 327720540 /nfs/dbraw/zinc/72/05/40/327720540.db2.gz WIQWDOTWHGGTHR-AWEZNQCLSA-N 0 3 259.393 3.807 20 30 CHEDHN COc1ccc(Cl)cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185800212 327845249 /nfs/dbraw/zinc/84/52/49/327845249.db2.gz MURPIOWYQSDEFM-SMDDNHRTSA-N 0 3 278.783 3.521 20 30 CHEDHN Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)c(CN(C)C)c1 ZINC000185747517 327844102 /nfs/dbraw/zinc/84/41/02/327844102.db2.gz XAFWFUJGCVEVHY-HOCLYGCPSA-N 0 3 271.408 3.551 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000185757282 327844614 /nfs/dbraw/zinc/84/46/14/327844614.db2.gz QCMWYVBHDXIUOQ-FZMZJTMJSA-N 0 3 282.309 3.877 20 30 CHEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1Cl ZINC000185863766 327848381 /nfs/dbraw/zinc/84/83/81/327848381.db2.gz AYEJLLWRJVHFQI-AAEUAGOBSA-N 0 3 278.783 3.521 20 30 CHEDHN C=C(C)[C@@H](NCCCCC#N)c1ccc(F)c(F)c1 ZINC000187765886 327860082 /nfs/dbraw/zinc/86/00/82/327860082.db2.gz GQQVIJMUVVZXLI-OAHLLOKOSA-N 0 3 264.319 3.865 20 30 CHEDHN COc1c(C)cc(CN(C)Cc2ccc(C#N)cc2)cc1C ZINC000110294981 328044468 /nfs/dbraw/zinc/04/44/68/328044468.db2.gz VSSWEIXDCUSJGR-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN CC[C@H](CC#N)NCCCSCc1ccccc1 ZINC000563368007 328059888 /nfs/dbraw/zinc/05/98/88/328059888.db2.gz SVONHYUCHPTRCC-OAHLLOKOSA-N 0 3 262.422 3.592 20 30 CHEDHN C=CCC[C@H](NCc1cnc(CC)nc1)c1ccccc1 ZINC000414357272 328154945 /nfs/dbraw/zinc/15/49/45/328154945.db2.gz BYXHUADZYSWDCR-KRWDZBQOSA-N 0 3 281.403 3.836 20 30 CHEDHN CC[C@](C)(O)CN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000275894994 328216950 /nfs/dbraw/zinc/21/69/50/328216950.db2.gz QVPBNINCUUTMHY-SFHVURJKSA-N 0 3 288.435 3.589 20 30 CHEDHN CSc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000278797442 328230414 /nfs/dbraw/zinc/23/04/14/328230414.db2.gz QWQFXFYTNQQEQJ-ZFWWWQNUSA-N 0 3 274.433 3.889 20 30 CHEDHN CC(C)(C#N)CCCCN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289858134 328256353 /nfs/dbraw/zinc/25/63/53/328256353.db2.gz LCPGUPSAFQWSOQ-CQSZACIVSA-N 0 3 294.830 3.503 20 30 CHEDHN CS[C@@H]1CC[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000425337963 328467853 /nfs/dbraw/zinc/46/78/53/328467853.db2.gz AOLMVJSHXDXYGZ-SOUVJXGZSA-N 0 3 260.406 3.515 20 30 CHEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@H](CC)O1 ZINC000398539627 328594664 /nfs/dbraw/zinc/59/46/64/328594664.db2.gz UIRGKNPINIJMBN-HUUCEWRRSA-N 0 3 266.429 3.596 20 30 CHEDHN C=CCNC/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000582203434 328637750 /nfs/dbraw/zinc/63/77/50/328637750.db2.gz DMJMVLMREFCWLH-DHZHZOJOSA-N 0 3 255.283 3.884 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000062258099 326792091 /nfs/dbraw/zinc/79/20/91/326792091.db2.gz XXWXKYBODFKAGK-QGZVFWFLSA-N 0 3 282.774 3.989 20 30 CHEDHN CCc1cccc(OCCN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000558734253 327118332 /nfs/dbraw/zinc/11/83/32/327118332.db2.gz JAZBVVXVEZTJBF-OAHLLOKOSA-N 0 3 294.398 3.850 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000093492042 327123717 /nfs/dbraw/zinc/12/37/17/327123717.db2.gz JPVNIISHVPGEQB-MRXNPFEDSA-N 0 3 268.385 3.787 20 30 CHEDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)CCCC#N ZINC000076732851 327130678 /nfs/dbraw/zinc/13/06/78/327130678.db2.gz LJYZODKGNHKTDJ-LBPRGKRZSA-N 0 3 250.773 3.507 20 30 CHEDHN N#C[C@H]1CC[C@H](N2CCC(c3ccccc3F)CC2)C1 ZINC000518571970 327177138 /nfs/dbraw/zinc/17/71/38/327177138.db2.gz RIQWLDACCJCCHT-ZFWWWQNUSA-N 0 3 272.367 3.697 20 30 CHEDHN Cc1ccc(NCC(C)(C)CCC#N)c(CN(C)C)c1 ZINC000092169801 327188759 /nfs/dbraw/zinc/18/87/59/327188759.db2.gz NYHNZYOFDMIFIM-UHFFFAOYSA-N 0 3 273.424 3.799 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569609042 327209803 /nfs/dbraw/zinc/20/98/03/327209803.db2.gz RYLVKRCSSIQBHU-XNRPHZJLSA-N 0 3 299.374 3.619 20 30 CHEDHN CN(C/C=C\c1ccccc1)Cc1cccc(C#N)c1 ZINC000215827952 327212449 /nfs/dbraw/zinc/21/24/49/327212449.db2.gz IECGRUIPJRJDDI-WDZFZDKYSA-N 0 3 262.356 3.703 20 30 CHEDHN CC1(C)CN(CC#Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000559432828 327244951 /nfs/dbraw/zinc/24/49/51/327244951.db2.gz XSXSOURZYZYIAG-DLBZAZTESA-N 0 3 253.389 3.549 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000559431283 327244960 /nfs/dbraw/zinc/24/49/60/327244960.db2.gz AZZLDTJWMDGIHT-CVEARBPZSA-N 0 3 284.403 3.577 20 30 CHEDHN N#Cc1ccc(CN2CCC(c3ccccc3)CC2)s1 ZINC000125412447 327248332 /nfs/dbraw/zinc/24/83/32/327248332.db2.gz ADCGPJHRHMPAMO-UHFFFAOYSA-N 0 3 282.412 3.999 20 30 CHEDHN C=CC[C@H](C)NCc1c(F)cccc1OC(F)(F)F ZINC000560049141 327280843 /nfs/dbraw/zinc/28/08/43/327280843.db2.gz UHYDUDQGYCBJJW-VIFPVBQESA-N 0 3 277.261 3.779 20 30 CHEDHN CC1(C)CC[C@@H](CNC[C@@H](C#N)CCC#N)c2ccccc21 ZINC000560597557 327329923 /nfs/dbraw/zinc/32/99/23/327329923.db2.gz IHUUNSMGOSPIHK-CVEARBPZSA-N 0 3 295.430 3.875 20 30 CHEDHN C=C(C)CN1CCC(NC(=O)CCCCC(C)(C)C)CC1 ZINC000561132883 327368522 /nfs/dbraw/zinc/36/85/22/327368522.db2.gz YWCXOHDQBALZLP-UHFFFAOYSA-N 0 3 294.483 3.750 20 30 CHEDHN C=C[C@@H](C)N[C@@H]1CCc2cc(Br)cc(C)c21 ZINC000381328085 327467102 /nfs/dbraw/zinc/46/71/02/327467102.db2.gz RWDMTRBMXDVEGX-ZWNOBZJWSA-N 0 3 280.209 3.909 20 30 CHEDHN CC(C)C[C@H](CNCC1(C#N)CC1)c1ccccc1 ZINC000562391804 327478214 /nfs/dbraw/zinc/47/82/14/327478214.db2.gz SYDYXNRKHNTLJU-MRXNPFEDSA-N 0 3 256.393 3.710 20 30 CHEDHN CCO[C@H](CCN[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000358596857 328889128 /nfs/dbraw/zinc/88/91/28/328889128.db2.gz WHFNJWBPYJGAIM-SUMWQHHRSA-N 0 3 292.398 3.799 20 30 CHEDHN C[C@H]1C[C@H](C)N(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000582578171 329110087 /nfs/dbraw/zinc/11/00/87/329110087.db2.gz RNPVWBFDNAALQG-QWRGUYRKSA-N 0 3 282.309 3.807 20 30 CHEDHN C=CCCCCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000582676132 329123974 /nfs/dbraw/zinc/12/39/74/329123974.db2.gz DIVFVXXODPLSHA-HNNXBMFYSA-N 0 3 276.428 3.762 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCCSc1ccccc1)CC2 ZINC000582695562 329128874 /nfs/dbraw/zinc/12/88/74/329128874.db2.gz WGJMYFIGXXOQGE-GOSISDBHSA-N 0 3 294.423 3.927 20 30 CHEDHN C=CCCCC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000175283637 329167250 /nfs/dbraw/zinc/16/72/50/329167250.db2.gz MMUXPKPHLUSLJQ-HNNXBMFYSA-N 0 3 294.464 3.604 20 30 CHEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCc2ccc(F)cc21 ZINC000177683867 329188991 /nfs/dbraw/zinc/18/89/91/329188991.db2.gz JZCBWEYQZZEWOM-GOSISDBHSA-N 0 3 280.346 3.817 20 30 CHEDHN C#CCCCN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000178061452 329191159 /nfs/dbraw/zinc/19/11/59/329191159.db2.gz SUPHCFBMSSUWLJ-CYBMUJFWSA-N 0 3 270.401 3.874 20 30 CHEDHN C=CCSCCN[C@H]1CCCOc2ccc(C)cc21 ZINC000180458466 329217349 /nfs/dbraw/zinc/21/73/49/329217349.db2.gz YXBGQCRTKUUJCA-HNNXBMFYSA-N 0 3 277.433 3.718 20 30 CHEDHN CSc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185796647 329332060 /nfs/dbraw/zinc/33/20/60/329332060.db2.gz TYXZTWHZFUZYAQ-ZIAGYGMSSA-N 0 3 260.406 3.580 20 30 CHEDHN C[C@H]1CCC[C@H](N(C)Cc2cc(F)ccc2C#N)C1 ZINC000229957323 329359502 /nfs/dbraw/zinc/35/95/02/329359502.db2.gz OTXCZYCZMFKEEX-LRDDRELGSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1oc2ccccc2c1CNCC(C)(C)CC#N ZINC000459731426 329374239 /nfs/dbraw/zinc/37/42/39/329374239.db2.gz NPQRCRTZSMXEID-UHFFFAOYSA-N 0 3 256.349 3.771 20 30 CHEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000459774163 329390159 /nfs/dbraw/zinc/39/01/59/329390159.db2.gz VUANYKDTOVRYKL-KGLIPLIRSA-N 0 3 292.448 3.692 20 30 CHEDHN N#CCCC1CCN(C/C=C\c2ccccc2)CC1 ZINC000399408859 329452542 /nfs/dbraw/zinc/45/25/42/329452542.db2.gz QMUSTLRMPCRRNH-UITAMQMPSA-N 0 3 254.377 3.716 20 30 CHEDHN C=CCOc1cccc(CNCc2cc(C)nc(C)c2)c1 ZINC000421383256 329818319 /nfs/dbraw/zinc/81/83/19/329818319.db2.gz NUMQEBUOVCQPDX-UHFFFAOYSA-N 0 3 282.387 3.553 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc2cccc(F)c2o1 ZINC000571942973 329932619 /nfs/dbraw/zinc/93/26/19/329932619.db2.gz LKDBFNZNMMCZIV-GVXVVHGQSA-N 0 3 272.323 3.915 20 30 CHEDHN C=CCCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000265490859 330062687 /nfs/dbraw/zinc/06/26/87/330062687.db2.gz VXWXWWAUJCCBMX-UHFFFAOYSA-N 0 3 293.357 3.826 20 30 CHEDHN C[C@H](NCCSC(C)(C)C)c1ccc(C#N)cc1 ZINC000266478172 330064038 /nfs/dbraw/zinc/06/40/38/330064038.db2.gz PNYGCBGZIHSXLP-LBPRGKRZSA-N 0 3 262.422 3.741 20 30 CHEDHN C=CCOc1ccc(CNCc2ccn(C)c2)cc1Cl ZINC000267108368 330064700 /nfs/dbraw/zinc/06/47/00/330064700.db2.gz QQHQOMKCBDQRLR-UHFFFAOYSA-N 0 3 290.794 3.533 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCc1csc([C@@H](C)OC)n1 ZINC000269049242 330067626 /nfs/dbraw/zinc/06/76/26/330067626.db2.gz IBRVYCUHWCUSGB-SDDRHHMPSA-N 0 3 268.426 3.541 20 30 CHEDHN COc1ccc([C@H](NCC2(CC#N)CC2)C2CC2)c(F)c1 ZINC000421851055 330087775 /nfs/dbraw/zinc/08/77/75/330087775.db2.gz FQITZPMTKPNEPO-MRXNPFEDSA-N 0 3 288.366 3.569 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CCO[C@@H](CC)C1)c1ccco1 ZINC000421858233 330089810 /nfs/dbraw/zinc/08/98/10/330089810.db2.gz PIZSOZSEFCFYJS-ILXRZTDVSA-N 0 3 263.381 3.834 20 30 CHEDHN C=CCC[C@@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000273513086 330097054 /nfs/dbraw/zinc/09/70/54/330097054.db2.gz SCOMZJLBAMLVFG-LLVKDONJSA-N 0 3 250.411 3.775 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1ccsc1 ZINC000421893827 330104575 /nfs/dbraw/zinc/10/45/75/330104575.db2.gz XHYABCILMPBCLV-CYBMUJFWSA-N 0 3 262.403 3.922 20 30 CHEDHN CC[C@H](C)[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000580460957 330142120 /nfs/dbraw/zinc/14/21/20/330142120.db2.gz WPTDRFYGDHEOQN-WMLDXEAASA-N 0 3 296.418 3.607 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccccn2)C2CCC2)C1 ZINC000527962677 330300773 /nfs/dbraw/zinc/30/07/73/330300773.db2.gz HKBAARARZSACDW-KMFMINBZSA-N 0 3 269.392 3.595 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccn2)C2CCC2)C1 ZINC000527962679 330300801 /nfs/dbraw/zinc/30/08/01/330300801.db2.gz HKBAARARZSACDW-UKPHBRMFSA-N 0 3 269.392 3.595 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccn2)C2CCC2)C1 ZINC000527962681 330300822 /nfs/dbraw/zinc/30/08/22/330300822.db2.gz HKBAARARZSACDW-UNEWFSDZSA-N 0 3 269.392 3.595 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(Cl)cc1Cl ZINC000424176986 330317491 /nfs/dbraw/zinc/31/74/91/330317491.db2.gz SOZIQTSNAZITAR-FZMZJTMJSA-N 0 3 286.202 3.674 20 30 CHEDHN C[C@H](CCc1ccccc1)NCc1ccc(C#N)cc1F ZINC000044299803 330327356 /nfs/dbraw/zinc/32/73/56/330327356.db2.gz ZEXGVVQLEWVJEP-CQSZACIVSA-N 0 3 282.362 3.808 20 30 CHEDHN CC(C)N(CC#Cc1ccccc1Cl)CC1CC1 ZINC000533079596 330330826 /nfs/dbraw/zinc/33/08/26/330330826.db2.gz HFMJRKADZSVVDR-UHFFFAOYSA-N 0 3 261.796 3.812 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC)cc1Cl ZINC000424298347 330336531 /nfs/dbraw/zinc/33/65/31/330336531.db2.gz IPBCGMSKVKOHRE-LBPRGKRZSA-N 0 3 283.799 3.592 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000424326586 330341280 /nfs/dbraw/zinc/34/12/80/330341280.db2.gz MDWNLYIVICKBRD-IUIKQTSFSA-N 0 3 258.340 3.559 20 30 CHEDHN C=CCC[C@H](CCC)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000424327899 330341644 /nfs/dbraw/zinc/34/16/44/330341644.db2.gz NEOGNFODLMTGHE-RYUDHWBXSA-N 0 3 296.436 3.715 20 30 CHEDHN Cc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C2CCC2)o1 ZINC000424330846 330342306 /nfs/dbraw/zinc/34/23/06/330342306.db2.gz RHJVOQKBZATRHE-BJJXKVORSA-N 0 3 258.365 3.711 20 30 CHEDHN C=C(CC)CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000536889534 330363351 /nfs/dbraw/zinc/36/33/51/330363351.db2.gz KMCXQOZTLLOLJX-CQSZACIVSA-N 0 3 259.349 3.518 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000119350001 330372392 /nfs/dbraw/zinc/37/23/92/330372392.db2.gz CJUAOXGNQVEVNK-VHSXEESVSA-N 0 3 252.427 3.974 20 30 CHEDHN C=CCN[C@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC000537077345 330395969 /nfs/dbraw/zinc/39/59/69/330395969.db2.gz OFEHPHNJKHZYAZ-CQSZACIVSA-N 0 3 277.408 3.957 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(OCC)c(OC)c1 ZINC000537068452 330396122 /nfs/dbraw/zinc/39/61/22/330396122.db2.gz DBTRFWZESLZAKQ-CYBMUJFWSA-N 0 3 263.381 3.711 20 30 CHEDHN N#Cc1csc(CN2CCC3(CCCC3)CC2)c1 ZINC000093085426 330416211 /nfs/dbraw/zinc/41/62/11/330416211.db2.gz YSYPWYZMBTZUNM-UHFFFAOYSA-N 0 3 260.406 3.776 20 30 CHEDHN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000426464528 330510663 /nfs/dbraw/zinc/51/06/63/330510663.db2.gz WYRQMWJWCAMOSP-STQMWFEESA-N 0 3 281.321 3.645 20 30 CHEDHN Cc1cc(CNCC2(CC#N)CC2)ccc1Br ZINC000430017256 330557391 /nfs/dbraw/zinc/55/73/91/330557391.db2.gz AVRUZXSSYIJWQA-UHFFFAOYSA-N 0 3 293.208 3.541 20 30 CHEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCC1(CC#N)CC1 ZINC000430738650 330572049 /nfs/dbraw/zinc/57/20/49/330572049.db2.gz BMEWMBXZPJVLKT-INIZCTEOSA-N 0 3 284.403 3.701 20 30 CHEDHN COc1cc(CN[C@@H]2C[C@H]2C2CCCCC2)ccc1C#N ZINC000440822603 330756961 /nfs/dbraw/zinc/75/69/61/330756961.db2.gz PPZGGSLXLCGXTO-DLBZAZTESA-N 0 3 284.403 3.625 20 30 CHEDHN C=CCCN1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000441467441 330769547 /nfs/dbraw/zinc/76/95/47/330769547.db2.gz ATWWMNRFETVRNV-KRWDZBQOSA-N 0 3 294.389 3.610 20 30 CHEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OC(C)C)c1 ZINC000442763138 330781405 /nfs/dbraw/zinc/78/14/05/330781405.db2.gz AOOHVHQYFFKMTC-GDBMZVCRSA-N 0 3 272.392 3.564 20 30 CHEDHN Cc1c(CN[C@H]2CC[C@@H](C#N)C2)oc2ccc(F)cc12 ZINC000442785409 330783097 /nfs/dbraw/zinc/78/30/97/330783097.db2.gz XOJRWZFNQXWFTB-YPMHNXCESA-N 0 3 272.323 3.662 20 30 CHEDHN Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000442788390 330783583 /nfs/dbraw/zinc/78/35/83/330783583.db2.gz FDNXSVXFGOTXPG-HOCLYGCPSA-N 0 3 286.419 3.954 20 30 CHEDHN C=CC(C)(C)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000448675979 330784949 /nfs/dbraw/zinc/78/49/49/330784949.db2.gz POGOOKIEKATOKA-UHFFFAOYSA-N 0 3 274.408 3.679 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H](COC)C1CCCC1 ZINC000446842475 330856228 /nfs/dbraw/zinc/85/62/28/330856228.db2.gz FYDXQBBXWQNFJM-KRWDZBQOSA-N 0 3 289.419 3.546 20 30 CHEDHN CC(C)c1csc(CNC2CCC(C)(C#N)CC2)n1 ZINC000449189498 330905006 /nfs/dbraw/zinc/90/50/06/330905006.db2.gz HPPHAPUGPNOZAV-UHFFFAOYSA-N 0 3 277.437 3.829 20 30 CHEDHN CC1(C#N)CCC(NCc2ccn(C3CCCC3)n2)CC1 ZINC000449195232 330905403 /nfs/dbraw/zinc/90/54/03/330905403.db2.gz QHTCYDLBOKJDCI-UHFFFAOYSA-N 0 3 286.423 3.560 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1ccc(Cl)cn1 ZINC000449250952 330909855 /nfs/dbraw/zinc/90/98/55/330909855.db2.gz NCAFZXLDLSMPOU-GFCCVEGCSA-N 0 3 252.789 3.960 20 30 CHEDHN C=C(C)CN(CCc1cscn1)Cc1ccccc1 ZINC000450890638 331005081 /nfs/dbraw/zinc/00/50/81/331005081.db2.gz WBWAYHPCOABIGO-UHFFFAOYSA-N 0 3 272.417 3.764 20 30 CHEDHN CN(CCSCC1(C#N)CCC1)Cc1ccccc1 ZINC000450939649 331008214 /nfs/dbraw/zinc/00/82/14/331008214.db2.gz QDHHGEUJTLZTOR-UHFFFAOYSA-N 0 3 274.433 3.545 20 30 CHEDHN C=CCOCCCN1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451019685 331011987 /nfs/dbraw/zinc/01/19/87/331011987.db2.gz WYFUUULWOOLHFZ-QGZVFWFLSA-N 0 3 299.418 3.601 20 30 CHEDHN C=CCOCCCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451019685 331011988 /nfs/dbraw/zinc/01/19/88/331011988.db2.gz WYFUUULWOOLHFZ-QGZVFWFLSA-N 0 3 299.418 3.601 20 30 CHEDHN C=CCOCCCN[C@H](C)c1ccc(F)cc1Cl ZINC000451117557 331016227 /nfs/dbraw/zinc/01/62/27/331016227.db2.gz VFGUXSNEXBRZFA-LLVKDONJSA-N 0 3 271.763 3.722 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1C[C@H](C)O[C@@H]1C)c1ccc(F)c(F)c1 ZINC000451154811 331017890 /nfs/dbraw/zinc/01/78/90/331017890.db2.gz MKCKGFYQSGBUHD-TZCMFKBTSA-N 0 3 281.346 3.738 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1CC1(C#N)CCC1 ZINC000451189875 331019495 /nfs/dbraw/zinc/01/94/95/331019495.db2.gz RWOMAMXOOOFZHW-HLLBOEOZSA-N 0 3 268.404 3.947 20 30 CHEDHN CC(C#N)C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000452834015 331078957 /nfs/dbraw/zinc/07/89/57/331078957.db2.gz LKNAEVKMPHZZDN-CQSZACIVSA-N 0 3 298.430 3.850 20 30 CHEDHN C=CCC[C@H](NCC1(OC)CCCC1)c1ccco1 ZINC000453218006 331102651 /nfs/dbraw/zinc/10/26/51/331102651.db2.gz FZFNQNRCABLWQC-AWEZNQCLSA-N 0 3 263.381 3.836 20 30 CHEDHN COc1cc(CN[C@@H](C)c2csc(C)c2)ccc1C#N ZINC000453244666 331106755 /nfs/dbraw/zinc/10/67/55/331106755.db2.gz FCAIESKDQBIIEE-LBPRGKRZSA-N 0 3 286.400 3.788 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(F)cc1N(C)C ZINC000453342285 331119458 /nfs/dbraw/zinc/11/94/58/331119458.db2.gz DCQLJCSDGXZCFD-GFCCVEGCSA-N 0 3 250.361 3.509 20 30 CHEDHN C=C(CC)CN[C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000453351216 331120759 /nfs/dbraw/zinc/12/07/59/331120759.db2.gz IDFBSHOZULAPTR-LJQANCHMSA-N 0 3 296.414 3.930 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCSc2cc(C)c(C)cc21 ZINC000453356517 331121738 /nfs/dbraw/zinc/12/17/38/331121738.db2.gz LTMPROPYFMOWNH-OAGGEKHMSA-N 0 3 289.444 3.773 20 30 CHEDHN CO[C@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000453376462 331124977 /nfs/dbraw/zinc/12/49/77/331124977.db2.gz IHOJBAMICIUHSM-ACJLOTCBSA-N 0 3 298.361 3.563 20 30 CHEDHN C=CCC1(CN[C@@H](CC)c2nccn2C)CCCC1 ZINC000453378250 331125057 /nfs/dbraw/zinc/12/50/57/331125057.db2.gz QCCLTMWYJJKJNA-AWEZNQCLSA-N 0 3 261.413 3.597 20 30 CHEDHN CCC1(NC(=O)C(C#N)CCc2ccccc2)CCCCC1 ZINC000456229328 331186764 /nfs/dbraw/zinc/18/67/64/331186764.db2.gz JZBMJHMQQOUBBF-QGZVFWFLSA-N 0 3 298.430 3.988 20 30 CHEDHN CC(C#N)C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000456858767 331207776 /nfs/dbraw/zinc/20/77/76/331207776.db2.gz DUXVANNTJCUGHM-KYOSRNDESA-N 0 3 290.794 3.642 20 30 CHEDHN CCC[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CCC1 ZINC000458300611 331247627 /nfs/dbraw/zinc/24/76/27/331247627.db2.gz CFHCAAKZMZFNEW-MSOLQXFVSA-N 0 3 298.430 3.844 20 30 CHEDHN C[C@@H](NCCCC(C)(C)C#N)c1nc2c(s1)CCC2 ZINC000459630975 331291244 /nfs/dbraw/zinc/29/12/44/331291244.db2.gz HLJIJZLBAKWMNU-LLVKDONJSA-N 0 3 277.437 3.612 20 30 CHEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000166723603 331307538 /nfs/dbraw/zinc/30/75/38/331307538.db2.gz KEVLJJIGZIHQKB-UPJWGTAASA-N 0 3 260.356 3.564 20 30 CHEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000461877616 331315037 /nfs/dbraw/zinc/31/50/37/331315037.db2.gz NOAUULWNFXDWMM-BLLLJJGKSA-N 0 3 298.773 3.705 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000462641994 331324509 /nfs/dbraw/zinc/32/45/09/331324509.db2.gz SQYWVYYIYVWSMG-HZPDHXFCSA-N 0 3 292.382 3.936 20 30 CHEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OC(C)C)c1 ZINC000463240952 331343711 /nfs/dbraw/zinc/34/37/11/331343711.db2.gz XXUYZHQQFWAMFI-WBVHZDCISA-N 0 3 286.419 3.954 20 30 CHEDHN C=CCCCCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463424630 331347483 /nfs/dbraw/zinc/34/74/83/331347483.db2.gz CALLDDVNTVBERS-UHFFFAOYSA-N 0 3 271.404 3.986 20 30 CHEDHN CC(C)CN(C(=O)C(C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000463596314 331349961 /nfs/dbraw/zinc/34/99/61/331349961.db2.gz ZVUUGRJCPOWNDJ-LLVKDONJSA-N 0 3 298.308 3.746 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CCC1 ZINC000464822758 331369732 /nfs/dbraw/zinc/36/97/32/331369732.db2.gz NXTZMZOCGLSPAP-DLBZAZTESA-N 0 3 254.377 3.558 20 30 CHEDHN C=CC[C@H](CC)NCc1nc2ccc(F)cc2s1 ZINC000466387573 331394507 /nfs/dbraw/zinc/39/45/07/331394507.db2.gz UWIKLZQJNUHMNA-NSHDSACASA-N 0 3 264.369 3.880 20 30 CHEDHN CCS[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1F ZINC000469775178 331457782 /nfs/dbraw/zinc/45/77/82/331457782.db2.gz KESMTBJBQQEINR-LSDHHAIUSA-N 0 3 292.423 3.851 20 30 CHEDHN C=C(C)[C@@H](NCCC(C)(C)OC)c1ccc(F)c(F)c1 ZINC000469792429 331459558 /nfs/dbraw/zinc/45/95/58/331459558.db2.gz UYEZJZBZGUIPSC-OAHLLOKOSA-N 0 3 283.362 3.987 20 30 CHEDHN C=CCOCCCN[C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000470762266 331489602 /nfs/dbraw/zinc/48/96/02/331489602.db2.gz QMOOMHBCSDCRJQ-MRXNPFEDSA-N 0 3 281.346 3.764 20 30 CHEDHN C=CCC[C@@H](C)NCc1nc2cccc(Cl)c2n1C ZINC000480698250 331785008 /nfs/dbraw/zinc/78/50/08/331785008.db2.gz NEBRBFJEWPAFME-LLVKDONJSA-N 0 3 277.799 3.671 20 30 CHEDHN C=C(C)[C@H](N[C@H]1CCCOCC1)c1ccc(F)c(F)c1 ZINC000480692317 331784787 /nfs/dbraw/zinc/78/47/87/331784787.db2.gz ABJLRSDOHJFYAE-BBRMVZONSA-N 0 3 281.346 3.741 20 30 CHEDHN CN(Cc1cn2ccccc2c1C#N)C1(C)CCCC1 ZINC000489822892 332069156 /nfs/dbraw/zinc/06/91/56/332069156.db2.gz CDRKGLZBMUQJRL-UHFFFAOYSA-N 0 3 267.376 3.575 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOc1cccc(F)c1 ZINC000490108055 332081566 /nfs/dbraw/zinc/08/15/66/332081566.db2.gz OIIAMXDWGYJLLS-AWEZNQCLSA-N 0 3 298.361 3.769 20 30 CHEDHN Cc1ccsc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512613851 332975793 /nfs/dbraw/zinc/97/57/93/332975793.db2.gz UEYWQBOGMIKIQT-GFCCVEGCSA-N 0 3 288.391 3.961 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3ccccc32)cc1F ZINC000404109855 332987290 /nfs/dbraw/zinc/98/72/90/332987290.db2.gz JNQBZTXIWAFUNT-GOSISDBHSA-N 0 3 280.346 3.865 20 30 CHEDHN C=CCCCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000175274692 333019463 /nfs/dbraw/zinc/01/94/63/333019463.db2.gz WAHXTQXTWADKQS-UHFFFAOYSA-N 0 3 286.419 3.967 20 30 CHEDHN COc1ccc(CN(Cc2ccccc2)C(C)C)cc1C#N ZINC000309566310 333045779 /nfs/dbraw/zinc/04/57/79/333045779.db2.gz FWMYVJMTKTYHDO-UHFFFAOYSA-N 0 3 294.398 3.977 20 30 CHEDHN CC#CCCNCc1cccc(OCc2ccccc2)c1 ZINC000309731874 333048190 /nfs/dbraw/zinc/04/81/90/333048190.db2.gz PJXQIWXFPQVLFF-UHFFFAOYSA-N 0 3 279.383 3.769 20 30 CHEDHN C=CCOCCS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000516866790 333084616 /nfs/dbraw/zinc/08/46/16/333084616.db2.gz PTLGUSOZPTXLOJ-KRWDZBQOSA-N 0 3 291.460 3.587 20 30 CHEDHN Cc1oc2ccccc2c1CNCc1cc(C#N)cs1 ZINC000183920482 333123624 /nfs/dbraw/zinc/12/36/24/333123624.db2.gz KFUQRARPJHPVPV-UHFFFAOYSA-N 0 3 282.368 3.964 20 30 CHEDHN CC#CCCCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000185073265 333134982 /nfs/dbraw/zinc/13/49/82/333134982.db2.gz MHDJMVJJMGEXAS-UHFFFAOYSA-N 0 3 298.430 3.805 20 30 CHEDHN C[C@]1(Cc2ccccc2)CCCN1Cc1ccc(C#N)o1 ZINC000185667993 333146268 /nfs/dbraw/zinc/14/62/68/333146268.db2.gz WAAWOIZTKOIXOH-GOSISDBHSA-N 0 3 280.371 3.748 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCCOc2cccc3ccccc32)C1 ZINC000185787545 333148790 /nfs/dbraw/zinc/14/87/90/333148790.db2.gz XEIMBRQHFVQUKV-DOTOQJQBSA-N 0 3 294.398 3.891 20 30 CHEDHN C=C(C)[C@H](N[C@@H](C)COCC)c1ccc(F)c(F)c1 ZINC000186454189 333161322 /nfs/dbraw/zinc/16/13/22/333161322.db2.gz DGSLNGIZXRBFGA-NHYWBVRUSA-N 0 3 269.335 3.597 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)NCc1nc2cc(C)ccc2n1C ZINC000187575476 333172473 /nfs/dbraw/zinc/17/24/73/333172473.db2.gz HSSXILRHOYXXLL-ZIAGYGMSSA-N 0 3 271.408 3.572 20 30 CHEDHN CC1(C)CN(CCCSCC#N)CC[C@@H]1C(F)(F)F ZINC000190204839 333204595 /nfs/dbraw/zinc/20/45/95/333204595.db2.gz LEISNHSENOTVOX-NSHDSACASA-N 0 3 294.386 3.544 20 30 CHEDHN CC(C)[C@H](CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000190414107 333206566 /nfs/dbraw/zinc/20/65/66/333206566.db2.gz ABMDZIILKFUGDU-INIZCTEOSA-N 0 3 282.387 3.756 20 30 CHEDHN COc1cccc([C@H](C)NCc2ccc(F)c(C#N)c2)c1 ZINC000223629366 333210133 /nfs/dbraw/zinc/21/01/33/333210133.db2.gz AEEWMRVDKUKVKO-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCCC[C@H]1C ZINC000522035538 333231128 /nfs/dbraw/zinc/23/11/28/333231128.db2.gz XZLQCIGMXPEUDB-CVEARBPZSA-N 0 3 291.435 3.976 20 30 CHEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000229413801 333304663 /nfs/dbraw/zinc/30/46/63/333304663.db2.gz XSNJJZJFPYZTRI-JHJVBQTASA-N 0 3 260.356 3.564 20 30 CHEDHN CC[C@H]1CCCCCN1Cc1ccc(F)c(C#N)c1 ZINC000229750920 333309093 /nfs/dbraw/zinc/30/90/93/333309093.db2.gz CCDOSWGYPDKUKM-HNNXBMFYSA-N 0 3 260.356 3.852 20 30 CHEDHN CC(C)(C#N)CCCCN1CC(C)(C)OC(C)(C)C1 ZINC000232786514 333342755 /nfs/dbraw/zinc/34/27/55/333342755.db2.gz KSXSRRVMLLKGEE-UHFFFAOYSA-N 0 3 266.429 3.596 20 30 CHEDHN C=CCNC(=O)CN(CCCC)[C@@H](CC)c1ccccc1 ZINC000303670955 333345231 /nfs/dbraw/zinc/34/52/31/333345231.db2.gz YPQRSCDCYDNPQH-KRWDZBQOSA-N 0 3 288.435 3.542 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000575985167 335138003 /nfs/dbraw/zinc/13/80/03/335138003.db2.gz RVETZGIEBNKSOB-INWMFGNUSA-N 0 3 276.811 3.800 20 30 CHEDHN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(CCC#N)CC2)o1 ZINC000575989639 335139187 /nfs/dbraw/zinc/13/91/87/335139187.db2.gz UTSVQLNOPLBBAQ-CJNGLKHVSA-N 0 3 272.392 3.919 20 30 CHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccccc1 ZINC000174093923 335148030 /nfs/dbraw/zinc/14/80/30/335148030.db2.gz YLATWJLYFULULT-HUUCEWRRSA-N 0 3 280.371 3.676 20 30 CHEDHN C=CCCC[C@@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000538096840 333573280 /nfs/dbraw/zinc/57/32/80/333573280.db2.gz VTUPSAHCTUHVIE-IEBWSBKVSA-N 0 3 297.446 3.614 20 30 CHEDHN C=CCN[C@H](Cc1ccccc1)c1ccccc1F ZINC000538256419 333581545 /nfs/dbraw/zinc/58/15/45/333581545.db2.gz MQVVOPKMZWDKEE-QGZVFWFLSA-N 0 3 255.336 3.885 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000538410293 333589580 /nfs/dbraw/zinc/58/95/80/333589580.db2.gz LYUWUZLEMISQAC-QWRGUYRKSA-N 0 3 286.297 3.610 20 30 CHEDHN COc1ccc(CN2CCCC[C@H]2C(C)C)cc1C#N ZINC000340195441 335152567 /nfs/dbraw/zinc/15/25/67/335152567.db2.gz REINODREJODWSJ-INIZCTEOSA-N 0 3 272.392 3.577 20 30 CHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(Cl)ccc1OCC ZINC000539296475 333664604 /nfs/dbraw/zinc/66/46/04/333664604.db2.gz BCUNBFIAIJBZGE-QWHCGFSZSA-N 0 3 297.826 3.574 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1F ZINC000174430745 335154484 /nfs/dbraw/zinc/15/44/84/335154484.db2.gz TVDHHTJLIAELRU-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN C=CCN[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000540379309 333727519 /nfs/dbraw/zinc/72/75/19/333727519.db2.gz NGWXFPVURMBNPC-SFHVURJKSA-N 0 3 285.362 3.894 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000540397815 333728419 /nfs/dbraw/zinc/72/84/19/333728419.db2.gz JOJLEPKNLIRPRV-ZDUSSCGKSA-N 0 3 263.381 3.629 20 30 CHEDHN CC[C@H](c1ccc(F)cc1)N1CCC(CC#N)CC1 ZINC000541953394 333803851 /nfs/dbraw/zinc/80/38/51/333803851.db2.gz KUDFXHUGUKJQNE-MRXNPFEDSA-N 0 3 260.356 3.902 20 30 CHEDHN N#Cc1cccc(CNCc2cc(F)cc3cccnc32)c1 ZINC000130492074 333844964 /nfs/dbraw/zinc/84/49/64/333844964.db2.gz LLCQOGYLDKOENC-UHFFFAOYSA-N 0 3 291.329 3.535 20 30 CHEDHN CC1(C)Cc2cccc(CN3CCC(CC#N)CC3)c2O1 ZINC000542849705 333845372 /nfs/dbraw/zinc/84/53/72/333845372.db2.gz HUXMNOKGBSDYCV-UHFFFAOYSA-N 0 3 284.403 3.526 20 30 CHEDHN C=CCCOCCN[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000543776624 333897985 /nfs/dbraw/zinc/89/79/85/333897985.db2.gz MGTJCLXQNJFSAG-INIZCTEOSA-N 0 3 283.362 3.844 20 30 CHEDHN C=CCCC[C@H](C)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545224622 333970891 /nfs/dbraw/zinc/97/08/91/333970891.db2.gz KSEHPMMHBGALLC-GXTWGEPZSA-N 0 3 293.373 3.757 20 30 CHEDHN CC1(c2ccccc2)CC(NCc2ccc(C#N)s2)C1 ZINC000546699179 334046768 /nfs/dbraw/zinc/04/67/68/334046768.db2.gz WIDYOJHRJDLZBP-UHFFFAOYSA-N 0 3 282.412 3.830 20 30 CHEDHN C=CCCCc1nc(-c2ccccc2CN2CCCC2)no1 ZINC000546938783 334056951 /nfs/dbraw/zinc/05/69/51/334056951.db2.gz ALBMPSQIYOAMLZ-UHFFFAOYSA-N 0 3 297.402 3.841 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000076734005 334088052 /nfs/dbraw/zinc/08/80/52/334088052.db2.gz CFWUPFWAXZNLAM-CYBMUJFWSA-N 0 3 294.826 3.873 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)o1)[C@@H](C)C1CCCCC1 ZINC000237477378 334089854 /nfs/dbraw/zinc/08/98/54/334089854.db2.gz IFXGBLQXXRKPQU-CHWSQXEVSA-N 0 3 260.381 3.846 20 30 CHEDHN C=C(C)CN(CC)Cc1ccccc1C(C)(C)C#N ZINC000135096623 334115225 /nfs/dbraw/zinc/11/52/25/334115225.db2.gz MCCHIBGSOVFIJA-UHFFFAOYSA-N 0 3 256.393 3.886 20 30 CHEDHN CC(C)N(Cc1ccc(Cl)cc1C#N)CC1CC1 ZINC000547830293 334124370 /nfs/dbraw/zinc/12/43/70/334124370.db2.gz CORCEEHUTNWUIC-UHFFFAOYSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@H]1[C@H](C(F)(F)F)CCCN1CCC(C)(C)C#N ZINC000548496966 334160621 /nfs/dbraw/zinc/16/06/21/334160621.db2.gz YYCAUKAVFXCMCN-WDEREUQCSA-N 0 3 262.319 3.589 20 30 CHEDHN C=C(C)CN(Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000548944640 334180967 /nfs/dbraw/zinc/18/09/67/334180967.db2.gz DYYVMJKSQHSSSD-AWEZNQCLSA-N 0 3 289.419 3.880 20 30 CHEDHN C=CCOCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000549929664 334209378 /nfs/dbraw/zinc/20/93/78/334209378.db2.gz KPKRQYRAKKJCEK-VBNZEHGJSA-N 0 3 279.811 3.829 20 30 CHEDHN C=CCCC[C@@H](C)NCc1cc(OC)ccc1F ZINC000550200025 334215958 /nfs/dbraw/zinc/21/59/58/334215958.db2.gz VRTIXNGHHLMYRN-GFCCVEGCSA-N 0 3 251.345 3.669 20 30 CHEDHN C=CCCC[C@@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000550932358 334234174 /nfs/dbraw/zinc/23/41/74/334234174.db2.gz VUCVRZLQXKGTRI-ZIAGYGMSSA-N 0 3 257.381 3.730 20 30 CHEDHN COCc1ccccc1/C=C(/C)CN1CCC(CC#N)CC1 ZINC000552013045 334274736 /nfs/dbraw/zinc/27/47/36/334274736.db2.gz QAPSRWGSWVOMER-SSZFMOIBSA-N 0 3 298.430 3.862 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccc3)C2)s1 ZINC000552061436 334283278 /nfs/dbraw/zinc/28/32/78/334283278.db2.gz LILVWNDNZHIKHB-HNNXBMFYSA-N 0 3 282.412 3.999 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)C(CC)CC)c1ccco1 ZINC000552246379 334308002 /nfs/dbraw/zinc/30/80/02/334308002.db2.gz SDFVVYNEBBVKAB-CABCVRRESA-N 0 3 265.397 3.674 20 30 CHEDHN C=CCC[C@@H](N[C@@H](CO)Cc1ccc(C)cc1)c1ccco1 ZINC000552283863 334313075 /nfs/dbraw/zinc/31/30/75/334313075.db2.gz LSCLDPGSJAGTGA-QZTJIDSGSA-N 0 3 299.414 3.789 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000248692756 334313740 /nfs/dbraw/zinc/31/37/40/334313740.db2.gz BNCHJAROONREOX-GVDBMIGSSA-N 0 3 256.393 3.680 20 30 CHEDHN C=CCCCN(C)Cc1cc(OC)ccc1OC(F)F ZINC000552292468 334314252 /nfs/dbraw/zinc/31/42/52/334314252.db2.gz SUEQMIYQPMIXAU-UHFFFAOYSA-N 0 3 285.334 3.695 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000249273267 334330671 /nfs/dbraw/zinc/33/06/71/334330671.db2.gz LDGPGDIHIYBXLW-HNAYVOBHSA-N 0 3 291.398 3.806 20 30 CHEDHN CC#CCCNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000566024741 334617474 /nfs/dbraw/zinc/61/74/74/334617474.db2.gz MFHYSSRVLNWXJP-UHFFFAOYSA-N 0 3 290.819 3.967 20 30 CHEDHN C[C@H](c1ccc(F)cc1)N1CCC(CCC#N)CC1 ZINC000566172424 334631748 /nfs/dbraw/zinc/63/17/48/334631748.db2.gz DUJGVACOSHFGHO-CYBMUJFWSA-N 0 3 260.356 3.902 20 30 CHEDHN C=CCOCCNC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000567053570 334676963 /nfs/dbraw/zinc/67/69/63/334676963.db2.gz GBNNGCCLQPFFRQ-UHFFFAOYSA-N 0 3 287.325 3.733 20 30 CHEDHN C=CCC[C@H](CCC)N[C@@H](COC)c1ccco1 ZINC000156729381 334748573 /nfs/dbraw/zinc/74/85/73/334748573.db2.gz HNOLYXTYFMIGIW-KBPBESRZSA-N 0 3 251.370 3.692 20 30 CHEDHN C=CCN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000158537404 334804906 /nfs/dbraw/zinc/80/49/06/334804906.db2.gz QHGUTPUUXYEVQS-QGZVFWFLSA-N 0 3 295.361 3.692 20 30 CHEDHN C=CCCCCCNCc1ccc(Br)cn1 ZINC000568238628 334806258 /nfs/dbraw/zinc/80/62/58/334806258.db2.gz YZJOOMGLEUNFOP-UHFFFAOYSA-N 0 3 283.213 3.680 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCCC23CC3)cc1 ZINC000568275603 334811396 /nfs/dbraw/zinc/81/13/96/334811396.db2.gz SQEPRPCWRHBXAQ-HNNXBMFYSA-N 0 3 293.332 3.979 20 30 CHEDHN C=CCN(Cc1cncc(F)c1)CC1CCCCC1 ZINC000577086686 335298011 /nfs/dbraw/zinc/29/80/11/335298011.db2.gz AJRXOYAWABTFPX-UHFFFAOYSA-N 0 3 262.372 3.789 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000192769986 335302053 /nfs/dbraw/zinc/30/20/53/335302053.db2.gz GPTYOYFWBAMYGC-PJODQICGSA-N 0 3 274.795 3.999 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)C1NCc1ccc(F)cc1C#N ZINC000577202752 335321942 /nfs/dbraw/zinc/32/19/42/335321942.db2.gz KHFMFHCFOXVMFW-VXGBXAGGSA-N 0 3 260.356 3.612 20 30 CHEDHN C=CC[C@H](C)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000180946877 335630526 /nfs/dbraw/zinc/63/05/26/335630526.db2.gz ZXNCPHMAJNGFFR-WDEREUQCSA-N 0 3 283.799 3.972 20 30 CHEDHN CC1(C)CC(NC[C@@H](C#N)CCC#N)CC(C)(C)C1 ZINC000579463251 335763602 /nfs/dbraw/zinc/76/36/02/335763602.db2.gz KTYZFVFFJQEVNL-CYBMUJFWSA-N 0 3 261.413 3.624 20 30 CHEDHN N#CCCCN[C@@H](c1ccccc1F)C1CCCC1 ZINC000181500260 335764854 /nfs/dbraw/zinc/76/48/54/335764854.db2.gz WYEYXSUFRSRGKQ-MRXNPFEDSA-N 0 3 260.356 3.950 20 30 CHEDHN CC(C)[C@H](NCCCSCC#N)c1ccc(F)cc1F ZINC000181656517 335776885 /nfs/dbraw/zinc/77/68/85/335776885.db2.gz ZQPZHTBEGRLJPW-HNNXBMFYSA-N 0 3 298.402 3.898 20 30 CHEDHN COc1cc(CNC/C(C)=C/c2ccccc2)ccc1C#N ZINC000581695901 336129222 /nfs/dbraw/zinc/12/92/22/336129222.db2.gz IREHJRQBKJHIQV-XNTDXEJSSA-N 0 3 292.382 3.760 20 30 CHEDHN C=CC(C)(C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000384839374 336132592 /nfs/dbraw/zinc/13/25/92/336132592.db2.gz IAJLFQRIGALTBB-UHFFFAOYSA-N 0 3 268.744 3.550 20 30 CHEDHN C[C@H](CCC1CCCCC1)NCc1nc(C#N)cs1 ZINC000352829263 533828185 /nfs/dbraw/zinc/82/81/85/533828185.db2.gz GEOMXMUPEMLDNU-GFCCVEGCSA-N 0 3 277.437 3.853 20 30 CHEDHN Cc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)nc1 ZINC000350653221 533903682 /nfs/dbraw/zinc/90/36/82/533903682.db2.gz DAVCLTVODLOSNE-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN C=CC[C@H](CO)N[C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000186692181 517339151 /nfs/dbraw/zinc/33/91/51/517339151.db2.gz WPPPFFIMDDUZRS-UKRRQHHQSA-N 0 3 273.376 3.637 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000347066667 534283558 /nfs/dbraw/zinc/28/35/58/534283558.db2.gz KKUITOFDBRSITK-RISCZKNCSA-N 0 3 276.355 3.579 20 30 CHEDHN Cc1ccc2[nH]c(CN[C@@H]3CC[C@H](C#N)C3)cc2c1C ZINC000335286602 534360381 /nfs/dbraw/zinc/36/03/81/534360381.db2.gz XCYBUXLJVZZXBJ-UONOGXRCSA-N 0 3 267.376 3.567 20 30 CHEDHN CC(C)(C)[C@H]1C[C@@H](NCc2cccc(C#N)c2)CS1 ZINC000277271317 518981328 /nfs/dbraw/zinc/98/13/28/518981328.db2.gz PTHOFAWHXZLSQI-HUUCEWRRSA-N 0 3 274.433 3.568 20 30 CHEDHN N#CCCCN[C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000354956932 534613864 /nfs/dbraw/zinc/61/38/64/534613864.db2.gz BHENJNLTTKIULD-KRWDZBQOSA-N 0 3 299.805 3.912 20 30 CHEDHN COc1cc(CN[C@@H](C)c2ccc(C)cc2)ccc1C#N ZINC000234937927 522473554 /nfs/dbraw/zinc/47/35/54/522473554.db2.gz QQOMQNJJMRKUBM-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN CC[C@H](NCc1ccccc1COC)c1ccc(C#N)cc1 ZINC000278350961 522657470 /nfs/dbraw/zinc/65/74/70/522657470.db2.gz YZVLZYXIOTXAJK-IBGZPJMESA-N 0 3 294.398 3.946 20 30 CHEDHN CCc1ccc([C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000276591979 524051753 /nfs/dbraw/zinc/05/17/53/524051753.db2.gz JTQZRCVOZAOSBW-IFXJQAMLSA-N 0 3 294.398 3.505 20 30 CHEDHN Cc1cccc(C(C)(C)NCc2cccc(C#N)c2)c1 ZINC000130440642 524232933 /nfs/dbraw/zinc/23/29/33/524232933.db2.gz XSBUEQNDFQZJSK-UHFFFAOYSA-N 0 3 264.372 3.892 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)s1 ZINC000050225351 524592710 /nfs/dbraw/zinc/59/27/10/524592710.db2.gz FCJITAABGUVOQG-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN Cc1csc(C2(NC3CCC(C)(C#N)CC3)CCC2)n1 ZINC000334597768 534794815 /nfs/dbraw/zinc/79/48/15/534794815.db2.gz AIMSLFVGWNKDJQ-UHFFFAOYSA-N 0 3 289.448 3.893 20 30 CHEDHN C[C@@H](NC[C@H](c1cccs1)N(C)C)c1ccc(C#N)cc1 ZINC000020147598 525498489 /nfs/dbraw/zinc/49/84/89/525498489.db2.gz SFJIOCMBNZHZDE-CZUORRHYSA-N 0 3 299.443 3.573 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC=C(c2cccnc2)C1 ZINC000289464599 526043134 /nfs/dbraw/zinc/04/31/34/526043134.db2.gz YMVBQSLICSOFSB-OAHLLOKOSA-N 0 3 289.382 3.804 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000364779457 526067971 /nfs/dbraw/zinc/06/79/71/526067971.db2.gz OBXYEWZAVMUQTQ-KBXCAEBGSA-N 0 3 284.403 3.510 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278554521 526072902 /nfs/dbraw/zinc/07/29/02/526072902.db2.gz BCMNAZXJZFGGJX-DGCLKSJQSA-N 0 3 282.309 3.894 20 30 CHEDHN C=CCN(CCCc1ccncc1)Cc1ccc(OC)cc1 ZINC000347309113 526275776 /nfs/dbraw/zinc/27/57/76/526275776.db2.gz NAARGBSHRXXPJK-UHFFFAOYSA-N 0 3 296.414 3.711 20 30 CHEDHN C=CCN(Cc1cccs1)CC1(SC)CC1 ZINC000347653608 526378031 /nfs/dbraw/zinc/37/80/31/526378031.db2.gz OIJPBEQEPRPMIR-UHFFFAOYSA-N 0 3 253.436 3.632 20 30 CHEDHN C=C(C)CN(CC/C=C\CC)Cc1ccc(CO)o1 ZINC000352816100 526551821 /nfs/dbraw/zinc/55/18/21/526551821.db2.gz OMADLUARHCDQGF-WAYWQWQTSA-N 0 3 263.381 3.506 20 30 CHEDHN N#Cc1ccc(CNC2CCC3(CC3)CC2)c(F)c1 ZINC000277499867 526622149 /nfs/dbraw/zinc/62/21/49/526622149.db2.gz VFPOOPCPBJDUBW-UHFFFAOYSA-N 0 3 258.340 3.510 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000280420906 526625422 /nfs/dbraw/zinc/62/54/22/526625422.db2.gz ZCRDTORBXGCVPE-UKRRQHHQSA-N 0 3 284.334 3.716 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)s1 ZINC000279798044 526625820 /nfs/dbraw/zinc/62/58/20/526625820.db2.gz NCPCZZCMRCAUKR-MRXNPFEDSA-N 0 3 286.375 3.926 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)s1 ZINC000280687203 526626548 /nfs/dbraw/zinc/62/65/48/526626548.db2.gz REAVFMKMRRDGOW-MQMHXKEQSA-N 0 3 286.375 3.795 20 30 CHEDHN C#CCCOc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000113336454 526745018 /nfs/dbraw/zinc/74/50/18/526745018.db2.gz JZYPDUJNYCCUIG-HNNXBMFYSA-N 0 3 295.382 3.645 20 30 CHEDHN C=CCOCCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000347958000 526751307 /nfs/dbraw/zinc/75/13/07/526751307.db2.gz BEDSEUKYKXWPHJ-UHFFFAOYSA-N 0 3 275.367 3.508 20 30 CHEDHN C=CC1CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000353584086 526979872 /nfs/dbraw/zinc/97/98/72/526979872.db2.gz DSPWLIAWJDPTBO-UHFFFAOYSA-N 0 3 275.440 3.653 20 30 CHEDHN CC(C)(CCC#N)CN1CC=C(C(F)(F)F)CC1 ZINC000353742523 526983768 /nfs/dbraw/zinc/98/37/68/526983768.db2.gz ATAUPXZWHSECFN-UHFFFAOYSA-N 0 3 260.303 3.511 20 30 CHEDHN C=CCCC[C@H](C)N[C@H](CCOC)c1ccco1 ZINC000347998290 527296286 /nfs/dbraw/zinc/29/62/86/527296286.db2.gz FZOQTAUOWVGOIR-UONOGXRCSA-N 0 3 251.370 3.692 20 30 CHEDHN C=CCC[C@@H](NCCc1cnc(C2CC2)nc1)c1ccco1 ZINC000353611306 527448005 /nfs/dbraw/zinc/44/80/05/527448005.db2.gz BXXIDAYICQCCMS-MRXNPFEDSA-N 0 3 297.402 3.787 20 30 CHEDHN CC(C)(C)CN(CCC#N)CCCCOC(C)(C)C ZINC000354922890 527680827 /nfs/dbraw/zinc/68/08/27/527680827.db2.gz RJPBIKFGXORECM-UHFFFAOYSA-N 0 3 268.445 3.843 20 30 CHEDHN CC(C)CN(Cc1ccncc1)Cc1ccc(C#N)cc1 ZINC000350656623 527948914 /nfs/dbraw/zinc/94/89/14/527948914.db2.gz IXXWNMWAIXKFOQ-UHFFFAOYSA-N 0 3 279.387 3.611 20 30 CHEDHN Cc1nc2ccc(Nc3cccc(CC#N)c3)cc2[nH]1 ZINC001213075221 1125490900 /nfs/dbraw/zinc/49/09/00/1125490900.db2.gz JRYVIPKOQCVDIG-UHFFFAOYSA-N 0 3 262.316 3.681 20 30 CHEDHN C[C@H]1CN(Cc2sc(N)c(C#N)c2Cl)CCC[C@@H]1C ZINC001141106721 1120353694 /nfs/dbraw/zinc/35/36/94/1120353694.db2.gz GFPDBEPYNOBRQC-UWVGGRQHSA-N 0 3 297.855 3.723 20 30 CHEDHN C=CC[C@H]1CCN1CCOc1ccc(Cl)c(F)c1 ZINC001176813530 1121695920 /nfs/dbraw/zinc/69/59/20/1121695920.db2.gz CXRAITIOSHBICX-NSHDSACASA-N 0 3 269.747 3.508 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)c(C)c1Cl ZINC001178741343 1121810621 /nfs/dbraw/zinc/81/06/21/1121810621.db2.gz CSFGDULZZWJGOF-OLZOCXBDSA-N 0 3 286.202 3.735 20 30 CHEDHN C=C(Cl)CN(Cc1ccccc1O)C1CCCC1 ZINC000733613856 1122000329 /nfs/dbraw/zinc/00/03/29/1122000329.db2.gz OEKWRVFBFIMRSP-UHFFFAOYSA-N 0 3 265.784 3.889 20 30 CHEDHN CC1(C)CCN(CC#Cc2ccc(Cl)cc2)CCS1 ZINC000434683893 1122394674 /nfs/dbraw/zinc/39/46/74/1122394674.db2.gz GGNMOOKKBOKDQM-UHFFFAOYSA-N 0 3 293.863 3.909 20 30 CHEDHN CCCCCCCCCCN1C[C@H](CO)C[C@H](F)C1 ZINC001201852746 1123152319 /nfs/dbraw/zinc/15/23/19/1123152319.db2.gz JLULHHNMTNUBDM-CVEARBPZSA-N 0 3 273.436 3.779 20 30 CHEDHN N#CC1CCN(Cc2cc3ccccc3s2)CC1 ZINC000123686161 1125432238 /nfs/dbraw/zinc/43/22/38/1125432238.db2.gz QULBUUSNUMMHPA-UHFFFAOYSA-N 0 3 256.374 3.637 20 30 CHEDHN CN(Cc1cc(Cl)ccc1OCC#N)C1CC(C)(C)C1 ZINC000839193527 1132189864 /nfs/dbraw/zinc/18/98/64/1132189864.db2.gz ZXINZLVIAYVPBS-UHFFFAOYSA-N 0 3 292.810 3.863 20 30 CHEDHN C[C@@H]1CCCCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112165 1132424578 /nfs/dbraw/zinc/42/45/78/1132424578.db2.gz QCPDDTFDYGHHSP-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN CCCCCCC/C=C/CN1CCN(C)[C@H](C)C1 ZINC001208118524 1133878192 /nfs/dbraw/zinc/87/81/92/1133878192.db2.gz KKLHFFURUWXPQE-SIFUEBAJSA-N 0 3 252.446 3.539 20 30 CHEDHN CCCCCCC/C=C/CN1CCN(C2CC2)CC1 ZINC001208120816 1133880958 /nfs/dbraw/zinc/88/09/58/1133880958.db2.gz UPCMUOGHZJLQEJ-CMDGGOBGSA-N 0 3 264.457 3.683 20 30 CHEDHN CCCCCCC[C@H](CCC)OC[C@@H]1CNCCO1 ZINC001217896080 1135020059 /nfs/dbraw/zinc/02/00/59/1135020059.db2.gz HPUQEMZOGNRMSQ-HOTGVXAUSA-N 0 3 271.445 3.521 20 30 CHEDHN Cc1ccc2nc(CN3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc2c1 ZINC001137217106 1125599512 /nfs/dbraw/zinc/59/95/12/1125599512.db2.gz KCFNXCARGAUCRW-GJWQZFMSSA-N 0 3 291.398 3.810 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1C[C@]12CCOC2 ZINC000885931559 1125627525 /nfs/dbraw/zinc/62/75/25/1125627525.db2.gz VLZVGOUQPVVCEW-DOMZBBRYSA-N 0 3 297.851 3.816 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000076801913 1125686282 /nfs/dbraw/zinc/68/62/82/1125686282.db2.gz YXZXKUGCPOUCKT-INIZCTEOSA-N 0 3 288.435 3.837 20 30 CHEDHN CSc1ccc(CN[C@@H](C)c2ccncc2)cc1C#N ZINC000886688312 1125708650 /nfs/dbraw/zinc/70/86/50/1125708650.db2.gz OLCYRHJCLRZAQW-LBPRGKRZSA-N 0 3 283.400 3.526 20 30 CHEDHN C=CCC1(O)CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000886774792 1125715562 /nfs/dbraw/zinc/71/55/62/1125715562.db2.gz VUVIEGYBTMAEFT-MRXNPFEDSA-N 0 3 291.822 3.730 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1ccccc1Cl ZINC000087591706 1125731543 /nfs/dbraw/zinc/73/15/43/1125731543.db2.gz LPIUOZCQCWPFIQ-NSHDSACASA-N 0 3 250.773 3.930 20 30 CHEDHN CCCC[C@H](COC)N[C@@H](CCC#N)c1ccccc1 ZINC000090665298 1125744228 /nfs/dbraw/zinc/74/42/28/1125744228.db2.gz WHINXKKRHNSEEF-SJORKVTESA-N 0 3 274.408 3.826 20 30 CHEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)o1 ZINC000093561715 1125770300 /nfs/dbraw/zinc/77/03/00/1125770300.db2.gz XTFRIKQHEAKUIF-GXTWGEPZSA-N 0 3 284.334 3.668 20 30 CHEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)o1 ZINC000093561713 1125770939 /nfs/dbraw/zinc/77/09/39/1125770939.db2.gz XTFRIKQHEAKUIF-JSGCOSHPSA-N 0 3 284.334 3.668 20 30 CHEDHN C=C(C)CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000509686023 1125777430 /nfs/dbraw/zinc/77/74/30/1125777430.db2.gz DTAZHLZMZNORFM-DLBZAZTESA-N 0 3 254.377 3.724 20 30 CHEDHN C=CCC[C@H]1CCCN1Cc1ccc(C)c(Cl)n1 ZINC001460886182 1129886234 /nfs/dbraw/zinc/88/62/34/1129886234.db2.gz JUJOLRUSVUUJEM-AWEZNQCLSA-N 0 3 264.800 3.974 20 30 CHEDHN C[N@H+](Cc1ccccc1[O-])Cc1ccccc1C(C)(C)C#N ZINC000135210089 1126713994 /nfs/dbraw/zinc/71/39/94/1126713994.db2.gz BULRXIMSOZLZPV-UHFFFAOYSA-N 0 3 294.398 3.825 20 30 CHEDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccccc1C(C)(C)C#N ZINC000135210089 1126713998 /nfs/dbraw/zinc/71/39/98/1126713998.db2.gz BULRXIMSOZLZPV-UHFFFAOYSA-N 0 3 294.398 3.825 20 30 CHEDHN C[C@@H](NCC1(C#N)CC1)C1(c2ccccc2)CCCC1 ZINC000481845858 1126722172 /nfs/dbraw/zinc/72/21/72/1126722172.db2.gz WXMYQKPVNMVSDB-OAHLLOKOSA-N 0 3 268.404 3.780 20 30 CHEDHN C=CCC[C@@H](NCc1cnn(C=C)c1)c1ccccc1 ZINC000194389648 1126763839 /nfs/dbraw/zinc/76/38/39/1126763839.db2.gz RPFLMKMUNWVBEB-QGZVFWFLSA-N 0 3 267.376 3.781 20 30 CHEDHN COCc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000174430778 1126770134 /nfs/dbraw/zinc/77/01/34/1126770134.db2.gz IPCNGSBGFSJDOY-CQSZACIVSA-N 0 3 280.371 3.555 20 30 CHEDHN Cc1cccc([C@@H]2CCN(CC#Cc3ccccc3)C2)c1 ZINC000483700267 1126797335 /nfs/dbraw/zinc/79/73/35/1126797335.db2.gz KAOYGXLOPHDWBP-HXUWFJFHSA-N 0 3 275.395 3.836 20 30 CHEDHN C(#Cc1ccccc1)CN[C@@H](c1cccs1)C1CC1 ZINC000484070459 1126809948 /nfs/dbraw/zinc/80/99/48/1126809948.db2.gz LVEQWLQOGVQISD-QGZVFWFLSA-N 0 3 267.397 3.841 20 30 CHEDHN CC[C@H](NCCCC#N)c1ccccc1OC(F)F ZINC000179724505 1126832888 /nfs/dbraw/zinc/83/28/88/1126832888.db2.gz JAEWPZWUOHWMOD-LBPRGKRZSA-N 0 3 268.307 3.632 20 30 CHEDHN C=C[C@H](CCCC)Oc1cccc2c1CCN(C)C2 ZINC001234422323 1130642095 /nfs/dbraw/zinc/64/20/95/1130642095.db2.gz HVZJKXOMXCATTD-OAHLLOKOSA-N 0 3 259.393 3.798 20 30 CHEDHN C[C@H](NCCCSCC#N)c1c(F)cccc1Cl ZINC000181762528 1126860699 /nfs/dbraw/zinc/86/06/99/1126860699.db2.gz RQHVFKVKBCXIIN-JTQLQIEISA-N 0 3 286.803 3.777 20 30 CHEDHN C=CCCCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184895443 1126897160 /nfs/dbraw/zinc/89/71/60/1126897160.db2.gz MINFCGOXWKPCRT-ZDUSSCGKSA-N 0 3 256.349 3.958 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000185777950 1126903091 /nfs/dbraw/zinc/90/30/91/1126903091.db2.gz VAFLIQBGTZRVKZ-AWEZNQCLSA-N 0 3 274.408 3.597 20 30 CHEDHN C=C(C)[C@@H](N[C@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000186453265 1126906852 /nfs/dbraw/zinc/90/68/52/1126906852.db2.gz VIOCRRAMJVMORM-SMDDNHRTSA-N 0 3 269.360 3.677 20 30 CHEDHN Cn1cc(CNC(C)(C)c2cccc(Cl)c2)cc1C#N ZINC000191141075 1126948047 /nfs/dbraw/zinc/94/80/47/1126948047.db2.gz WYGFWQGHTFGKNR-UHFFFAOYSA-N 0 3 287.794 3.575 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2c(O)cccc21)c1ccc(C#N)cc1 ZINC000192353517 1126961088 /nfs/dbraw/zinc/96/10/88/1126961088.db2.gz ZMOXDZQIZLGDQQ-SCLBCKFNSA-N 0 3 292.382 3.992 20 30 CHEDHN CCCCC[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000486790155 1127002549 /nfs/dbraw/zinc/00/25/49/1127002549.db2.gz FEBHWKJKZGXMKU-KRWDZBQOSA-N 0 3 299.418 3.541 20 30 CHEDHN CC#CCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784484145 1130906367 /nfs/dbraw/zinc/90/63/67/1130906367.db2.gz XMHKJSRCNQQFAF-ZDUSSCGKSA-N 0 3 267.294 3.518 20 30 CHEDHN Cc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000269636574 1127043174 /nfs/dbraw/zinc/04/31/74/1127043174.db2.gz WGWYSSSJSBFSKQ-UHFFFAOYSA-N 0 3 262.356 3.646 20 30 CHEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001320303625 1127044915 /nfs/dbraw/zinc/04/49/15/1127044915.db2.gz STMSIHKAHIMXLD-XJKSGUPXSA-N 0 3 261.409 3.836 20 30 CHEDHN Cc1cc(CN2CCC[C@@H]2c2ccc[nH]2)ccc1C#N ZINC000488187612 1127060613 /nfs/dbraw/zinc/06/06/13/1127060613.db2.gz VWXUOMSHGAZAMY-QGZVFWFLSA-N 0 3 265.360 3.532 20 30 CHEDHN C#CCN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000155875817 1127075438 /nfs/dbraw/zinc/07/54/38/1127075438.db2.gz CDLFJBUMXQIBJM-UHFFFAOYSA-N 0 3 298.213 3.608 20 30 CHEDHN C#CCCCCNCc1csc(-c2ccccc2)n1 ZINC000150732629 1127100163 /nfs/dbraw/zinc/10/01/63/1127100163.db2.gz ONCTUVJYCWAUOS-UHFFFAOYSA-N 0 3 270.401 3.703 20 30 CHEDHN C=C(CNCc1cnc(Cl)c(C)c1)c1ccccc1 ZINC000760661056 1127153933 /nfs/dbraw/zinc/15/39/33/1127153933.db2.gz BAKWHNPNDRTQEH-UHFFFAOYSA-N 0 3 272.779 3.846 20 30 CHEDHN COc1ccc2ccccc2c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349803959 1127162384 /nfs/dbraw/zinc/16/23/84/1127162384.db2.gz RTWOFBZIPBNBDT-HIFRSBDPSA-N 0 3 280.371 3.630 20 30 CHEDHN C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccon1 ZINC000349836661 1127165202 /nfs/dbraw/zinc/16/52/02/1127165202.db2.gz SUCCQFZBUORVQE-NXVRBGIVSA-N 0 3 295.386 3.729 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000192986325 1127165983 /nfs/dbraw/zinc/16/59/83/1127165983.db2.gz GUKVZWQAJKRFBH-QWHCGFSZSA-N 0 3 294.354 3.699 20 30 CHEDHN C=CCN(Cc1ccc(OCCC)c(OC)c1)C1CC1 ZINC000350267944 1127175837 /nfs/dbraw/zinc/17/58/37/1127175837.db2.gz PIJJOAGALMLTHJ-UHFFFAOYSA-N 0 3 275.392 3.634 20 30 CHEDHN C=CCN(Cc1cnc(C)c(Br)c1)C(C)(C)C ZINC001237564961 1131113645 /nfs/dbraw/zinc/11/36/45/1131113645.db2.gz PAPOJPASPHDTQD-UHFFFAOYSA-N 0 3 297.240 3.939 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1cccnc1 ZINC000588203901 1127180966 /nfs/dbraw/zinc/18/09/66/1127180966.db2.gz SQAMIGYYSYHNHP-SFHVURJKSA-N 0 3 277.371 3.599 20 30 CHEDHN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc(C)n1 ZINC000591531457 1127200101 /nfs/dbraw/zinc/20/01/01/1127200101.db2.gz YEYDZNMOSXEIGS-LJQANCHMSA-N 0 3 291.398 3.737 20 30 CHEDHN CC#CCN(C)Cc1c(CC)ccc2ccccc21 ZINC001307806855 1127201134 /nfs/dbraw/zinc/20/11/34/1127201134.db2.gz IJTSMLDLWQXPLK-UHFFFAOYSA-N 0 3 251.373 3.857 20 30 CHEDHN CC(C)[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)CC1 ZINC000589317784 1127218786 /nfs/dbraw/zinc/21/87/86/1127218786.db2.gz FEEQRRAHRJUNTR-OLZOCXBDSA-N 0 3 277.437 3.709 20 30 CHEDHN CC(C)[C@H](C)N(Cc1cccc(F)c1C#N)C1CC1 ZINC000589820538 1127237913 /nfs/dbraw/zinc/23/79/13/1127237913.db2.gz WCMCBESKPSOTIC-LBPRGKRZSA-N 0 3 260.356 3.706 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccco1 ZINC000285699100 1127240637 /nfs/dbraw/zinc/24/06/37/1127240637.db2.gz OYUVWLYSKDFCQV-HZPDHXFCSA-N 0 3 289.350 3.749 20 30 CHEDHN C=C(C)CN(CCCSC)Cc1cnn(C(C)C)c1 ZINC000352900786 1127248872 /nfs/dbraw/zinc/24/88/72/1127248872.db2.gz ICOIRANEPQRHAQ-UHFFFAOYSA-N 0 3 281.469 3.595 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001238090178 1131169160 /nfs/dbraw/zinc/16/91/60/1131169160.db2.gz COKLZDPUXZDWGS-AWEZNQCLSA-N 0 3 261.796 3.802 20 30 CHEDHN CC[C@]1(C)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000353700240 1127272942 /nfs/dbraw/zinc/27/29/42/1127272942.db2.gz CHEJFHVECYXZPT-MRXNPFEDSA-N 0 3 260.356 3.709 20 30 CHEDHN Cc1cccnc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353917201 1127278106 /nfs/dbraw/zinc/27/81/06/1127278106.db2.gz SZAPMBAMKOWXGF-KRWDZBQOSA-N 0 3 279.387 3.915 20 30 CHEDHN Cc1ncc(CN[C@H](CCCC#N)c2ccccc2)s1 ZINC000353915253 1127278117 /nfs/dbraw/zinc/27/81/17/1127278117.db2.gz MPMQEWQANHHGQH-MRXNPFEDSA-N 0 3 285.416 3.976 20 30 CHEDHN CN(CCOC(C)(C)C)CCC1(C#N)CCCCC1 ZINC000591016268 1127282672 /nfs/dbraw/zinc/28/26/72/1127282672.db2.gz TUXXUUJXXLAUIQ-UHFFFAOYSA-N 0 3 266.429 3.597 20 30 CHEDHN Cc1cc(CNCc2ccc3ncccc3c2)ccc1C#N ZINC000355273420 1127330077 /nfs/dbraw/zinc/33/00/77/1127330077.db2.gz AMHLZOOIFWUCFI-UHFFFAOYSA-N 0 3 287.366 3.705 20 30 CHEDHN CC(C)C[C@@H]1CCCCCN1Cc1ccncc1C#N ZINC000592072915 1127335105 /nfs/dbraw/zinc/33/51/05/1127335105.db2.gz RIBDXXPEHZIPIQ-KRWDZBQOSA-N 0 3 271.408 3.744 20 30 CHEDHN Cc1ccc([C@@H]2C[C@H](C)N(Cc3ccncc3C#N)C2)cc1 ZINC000592116305 1127335617 /nfs/dbraw/zinc/33/56/17/1127335617.db2.gz ILBLBNMCYYQNIR-MAUKXSAKSA-N 0 3 291.398 3.640 20 30 CHEDHN N#Cc1ccc(CNC2CC(c3ccc(Cl)cc3)C2)nc1 ZINC000783300494 1127343090 /nfs/dbraw/zinc/34/30/90/1127343090.db2.gz NIKXMLQXKROXRW-UHFFFAOYSA-N 0 3 297.789 3.642 20 30 CHEDHN C=C(Br)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000167346503 1127355265 /nfs/dbraw/zinc/35/52/65/1127355265.db2.gz NRMOKMXNLNUJKK-LBPRGKRZSA-N 0 3 282.225 3.851 20 30 CHEDHN N#CC(C(=O)CCC1CCCC1)c1nc2ccccc2[nH]1 ZINC000046440805 1127401083 /nfs/dbraw/zinc/40/10/83/1127401083.db2.gz QHYBVHRMMNBBSM-ZDUSSCGKSA-N 0 3 281.359 3.710 20 30 CHEDHN C=CCC[C@@H](NCc1ccnc(OC)c1)c1ccccc1 ZINC000358104803 1127403212 /nfs/dbraw/zinc/40/32/12/1127403212.db2.gz YXZFCLJIIFYLJS-QGZVFWFLSA-N 0 3 282.387 3.887 20 30 CHEDHN CC(C)[C@H](C#N)N1CCN(CCC2CCCCCC2)CC1 ZINC000593969072 1127404862 /nfs/dbraw/zinc/40/48/62/1127404862.db2.gz ZRZBOIUXGJABBY-SFHVURJKSA-N 0 3 291.483 3.513 20 30 CHEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1cccc(O)c1 ZINC000594520088 1127420951 /nfs/dbraw/zinc/42/09/51/1127420951.db2.gz YRTBBYDWGWKPGZ-AWEZNQCLSA-N 0 3 292.382 3.994 20 30 CHEDHN CCC1(C)CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594607534 1127425471 /nfs/dbraw/zinc/42/54/71/1127425471.db2.gz WTXTUSNJTGMNEY-UHFFFAOYSA-N 0 3 256.393 3.720 20 30 CHEDHN C[C@@H](CSCCF)N[C@H](CCC#N)c1ccccc1 ZINC000595021982 1127442595 /nfs/dbraw/zinc/44/25/95/1127442595.db2.gz IQFDTTKUUJRZPK-DZGCQCFKSA-N 0 3 280.412 3.712 20 30 CHEDHN C=CCCSCCN[C@H](C)c1cc(OC)ccc1OC ZINC000595061274 1127447404 /nfs/dbraw/zinc/44/74/04/1127447404.db2.gz ZSXQDBUUKTYJLY-CYBMUJFWSA-N 0 3 295.448 3.664 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1nc2ccccc2n1C ZINC000595061251 1127447603 /nfs/dbraw/zinc/44/76/03/1127447603.db2.gz ZIBYCCVAQMQUBG-ZDUSSCGKSA-N 0 3 289.448 3.533 20 30 CHEDHN CC[C@H](N[C@@H](c1ccccc1)[C@@H](C)O)c1ccc(C#N)cc1 ZINC000595103850 1127453117 /nfs/dbraw/zinc/45/31/17/1127453117.db2.gz OCOKZDKKNUXEGL-MDASCCDHSA-N 0 3 294.398 3.721 20 30 CHEDHN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000595092349 1127454674 /nfs/dbraw/zinc/45/46/74/1127454674.db2.gz URMZVELNANHXHB-SGTLLEGYSA-N 0 3 278.355 3.602 20 30 CHEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000595093639 1127454736 /nfs/dbraw/zinc/45/47/36/1127454736.db2.gz DQLUQEJYEQYLRD-SJKOYZFVSA-N 0 3 290.382 3.553 20 30 CHEDHN N#Cc1ccc(CN(C2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000592998793 1127461520 /nfs/dbraw/zinc/46/15/20/1127461520.db2.gz WQFRQFXSEMYFST-UHFFFAOYSA-N 0 3 299.374 3.764 20 30 CHEDHN N#Cc1ccc(CCN2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000595478166 1127464227 /nfs/dbraw/zinc/46/42/27/1127464227.db2.gz YJGPZPZIVCDXCS-LJQANCHMSA-N 0 3 294.373 3.671 20 30 CHEDHN CC(C)c1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000595617280 1127468033 /nfs/dbraw/zinc/46/80/33/1127468033.db2.gz RCJTZDKUXDXTNR-OAHLLOKOSA-N 0 3 256.393 3.936 20 30 CHEDHN CCC(CC)CCCN(C)Cc1ccnc(C#N)c1 ZINC000595831400 1127479289 /nfs/dbraw/zinc/47/92/89/1127479289.db2.gz ORPGVFYDPWJYEP-UHFFFAOYSA-N 0 3 259.397 3.601 20 30 CHEDHN CN(C)Cc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 ZINC000596785168 1127518016 /nfs/dbraw/zinc/51/80/16/1127518016.db2.gz SDPLWKDSJPTSJA-UHFFFAOYSA-N 0 3 299.418 3.551 20 30 CHEDHN N#CC1(c2ccc(CN3CCCc4occc4C3)cc2)CC1 ZINC000597133210 1127528842 /nfs/dbraw/zinc/52/88/42/1127528842.db2.gz QHPSDDBHWSCHCD-UHFFFAOYSA-N 0 3 292.382 3.783 20 30 CHEDHN Cc1cccc2[nH]c(CN3CCC(CC#N)CC3)cc21 ZINC000597081124 1127527280 /nfs/dbraw/zinc/52/72/80/1127527280.db2.gz FCSPKSDSRDKUOC-UHFFFAOYSA-N 0 3 267.376 3.602 20 30 CHEDHN CC1(C)Cc2cc(CN3CCC[C@H](CC#N)C3)ccc2O1 ZINC000597174452 1127531812 /nfs/dbraw/zinc/53/18/12/1127531812.db2.gz QVYGSVJHQFCSRW-CQSZACIVSA-N 0 3 284.403 3.526 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000597178261 1127533470 /nfs/dbraw/zinc/53/34/70/1127533470.db2.gz WSAIHBIGYVNROM-MRXNPFEDSA-N 0 3 291.398 3.874 20 30 CHEDHN CCC[C@@H](CN1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597232010 1127535496 /nfs/dbraw/zinc/53/54/96/1127535496.db2.gz QSVDSBVLSMLQFI-IRXDYDNUSA-N 0 3 256.393 3.806 20 30 CHEDHN CC(C)[C@@H]1C[C@H](NCC2(C#N)CCCCC2)CS1 ZINC000597226706 1127536351 /nfs/dbraw/zinc/53/63/51/1127536351.db2.gz WQBFGTFAJBRDOA-KBPBESRZSA-N 0 3 266.454 3.580 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361190384 1127546064 /nfs/dbraw/zinc/54/60/64/1127546064.db2.gz PAQHJOJBNJFMIM-WDMOLILDSA-N 0 3 281.346 3.979 20 30 CHEDHN C=CCC[C@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361188507 1127546296 /nfs/dbraw/zinc/54/62/96/1127546296.db2.gz SSNYCOPOVLUHRJ-GXFFZTMASA-N 0 3 267.319 3.733 20 30 CHEDHN CN(Cc1cc(F)ccc1C#N)[C@@H]1CCC(C)(C)C1 ZINC000361470354 1127565557 /nfs/dbraw/zinc/56/55/57/1127565557.db2.gz RPOYEOSKNKOSCU-OAHLLOKOSA-N 0 3 260.356 3.708 20 30 CHEDHN CC(C)[C@@H](c1ccccc1)N(C)Cc1cccc(C#N)n1 ZINC000602476054 1127582298 /nfs/dbraw/zinc/58/22/98/1127582298.db2.gz VLNJPDCAKYWTNN-SFHVURJKSA-N 0 3 279.387 3.782 20 30 CHEDHN CC(C)COC[C@H](NC1CCC(C#N)CC1)c1ccco1 ZINC000602534729 1127591908 /nfs/dbraw/zinc/59/19/08/1127591908.db2.gz QCRZEKQMUMMCFP-GPANFISMSA-N 0 3 290.407 3.665 20 30 CHEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@@H]1CC1(F)F ZINC000602581218 1127596571 /nfs/dbraw/zinc/59/65/71/1127596571.db2.gz ISTVUEKZHBGLRP-UBHSHLNASA-N 0 3 264.319 3.665 20 30 CHEDHN CC(C)N(Cc1cccc(C#N)n1)[C@@H](C)c1ccccc1 ZINC000602670851 1127601835 /nfs/dbraw/zinc/60/18/35/1127601835.db2.gz GYFWPPSXWFSROZ-HNNXBMFYSA-N 0 3 279.387 3.925 20 30 CHEDHN C[C@H](CC#N)NCCCc1ccc(C(F)(F)F)cc1 ZINC000602860313 1127617706 /nfs/dbraw/zinc/61/77/06/1127617706.db2.gz CNTCDFPFEGITAU-LLVKDONJSA-N 0 3 270.298 3.530 20 30 CHEDHN Cc1ncc([C@@H](C)NCCC2(C#N)CCCCC2)s1 ZINC000602954392 1127622639 /nfs/dbraw/zinc/62/26/39/1127622639.db2.gz CSZOBYPVUHBVKZ-GFCCVEGCSA-N 0 3 277.437 3.966 20 30 CHEDHN N#CCC1(CNCc2ccsc2C(F)(F)F)CC1 ZINC000598973929 1127648449 /nfs/dbraw/zinc/64/84/49/1127648449.db2.gz HSPPVOYWYMFBGU-UHFFFAOYSA-N 0 3 274.311 3.550 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2ccsc2C(F)(F)F)C1 ZINC000598974704 1127648628 /nfs/dbraw/zinc/64/86/28/1127648628.db2.gz FSEVPASFWGHWFY-PSASIEDQSA-N 0 3 274.311 3.549 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2csc(C(F)(F)F)c2)C1 ZINC000598976023 1127649355 /nfs/dbraw/zinc/64/93/55/1127649355.db2.gz MDIMRSNJJOLKSH-WCBMZHEXSA-N 0 3 274.311 3.549 20 30 CHEDHN Cc1ccc(CN2CCC(OC3CCCC3)CC2)cc1C#N ZINC000599277689 1127665819 /nfs/dbraw/zinc/66/58/19/1127665819.db2.gz RTFSHQRUQNFKGI-UHFFFAOYSA-N 0 3 298.430 3.790 20 30 CHEDHN Cc1ccc(CNC2(c3ccccc3)CC2)cc1C#N ZINC000599350686 1127668328 /nfs/dbraw/zinc/66/83/28/1127668328.db2.gz XWABOQMSZRVEQP-UHFFFAOYSA-N 0 3 262.356 3.646 20 30 CHEDHN Cc1ccc(CN2CCC=C(c3ccco3)C2)cc1C#N ZINC000599411687 1127671446 /nfs/dbraw/zinc/67/14/46/1127671446.db2.gz CCOITAWVMBTYEO-UHFFFAOYSA-N 0 3 278.355 3.749 20 30 CHEDHN C[C@H](CCC#N)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599516431 1127676603 /nfs/dbraw/zinc/67/66/03/1127676603.db2.gz UDCKAZFNQCGXFG-TZMCWYRMSA-N 0 3 278.346 3.836 20 30 CHEDHN C[C@H](CN(C)C[C@H](C#N)CCC#N)C1CCCCC1 ZINC000599632750 1127684012 /nfs/dbraw/zinc/68/40/12/1127684012.db2.gz CJQLCVCHROCXEB-CABCVRRESA-N 0 3 261.413 3.578 20 30 CHEDHN C=CCOc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297163880 1127690131 /nfs/dbraw/zinc/69/01/31/1127690131.db2.gz DAMQOORFUZTMNF-QGZVFWFLSA-N 0 3 295.382 3.734 20 30 CHEDHN C#CCOc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000172116706 1127746654 /nfs/dbraw/zinc/74/66/54/1127746654.db2.gz SNRSOZMOADPZED-LJQANCHMSA-N 0 3 295.357 3.615 20 30 CHEDHN C#CCOc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000172116710 1127747200 /nfs/dbraw/zinc/74/72/00/1127747200.db2.gz SNRSOZMOADPZED-IBGZPJMESA-N 0 3 295.357 3.615 20 30 CHEDHN C#Cc1ccc(CN[C@H]2CCCc3cnn(C(C)C)c32)cc1 ZINC000367360989 1127753074 /nfs/dbraw/zinc/75/30/74/1127753074.db2.gz MGGNORWUWLQCFQ-SFHVURJKSA-N 0 3 293.414 3.613 20 30 CHEDHN C=CCN1CCC(NC(=O)[C@H](CC)CCCCCC)CC1 ZINC000172291553 1127753195 /nfs/dbraw/zinc/75/31/95/1127753195.db2.gz UJTBJLKGPMUFMJ-MRXNPFEDSA-N 0 3 294.483 3.750 20 30 CHEDHN COC(C)(C)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000409446864 1127768756 /nfs/dbraw/zinc/76/87/56/1127768756.db2.gz RHCFJPWYQOWJST-IAGOWNOFSA-N 0 3 286.419 3.573 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC1CCOCC1 ZINC000409447419 1127770309 /nfs/dbraw/zinc/77/03/09/1127770309.db2.gz QAHLZBTZKRNWED-RBUKOAKNSA-N 0 3 298.430 3.575 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](OCC2CC2)C1 ZINC000372297993 1127794520 /nfs/dbraw/zinc/79/45/20/1127794520.db2.gz XBRLEYXONFVMRW-KBXCAEBGSA-N 0 3 284.403 3.510 20 30 CHEDHN CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccncc1 ZINC000174436437 1127894160 /nfs/dbraw/zinc/89/41/60/1127894160.db2.gz SCDDSCXKIYHYPY-KSSFIOAISA-N 0 3 295.386 3.613 20 30 CHEDHN CC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccncc1 ZINC000174436451 1127894195 /nfs/dbraw/zinc/89/41/95/1127894195.db2.gz SCDDSCXKIYHYPY-KBXCAEBGSA-N 0 3 295.386 3.613 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C)c2ccccc2C1 ZINC000442684625 1127908370 /nfs/dbraw/zinc/90/83/70/1127908370.db2.gz XVLFSQRBNVWNQN-HNNXBMFYSA-N 0 3 291.398 3.571 20 30 CHEDHN C=CCC1(C(=O)Nc2ccc(CN(C)C)cc2F)CCC1 ZINC000412561119 1127915478 /nfs/dbraw/zinc/91/54/78/1127915478.db2.gz SDPGKESUMYJGEI-UHFFFAOYSA-N 0 3 290.382 3.572 20 30 CHEDHN C=CCCCCCN(C)Cc1cccc(OC)c1OC ZINC000539826532 1127944528 /nfs/dbraw/zinc/94/45/28/1127944528.db2.gz SOPZLSWUNJVWSA-UHFFFAOYSA-N 0 3 277.408 3.882 20 30 CHEDHN C=C(C)CN(CC)Cc1cc2c(cc1SC)OCCO2 ZINC000505863432 1127962848 /nfs/dbraw/zinc/96/28/48/1127962848.db2.gz CUAROKKOSZXOSZ-UHFFFAOYSA-N 0 3 293.432 3.578 20 30 CHEDHN C=CCCN(C)Cc1cnc(-c2ccccc2)s1 ZINC000467295712 1127964066 /nfs/dbraw/zinc/96/40/66/1127964066.db2.gz TWGCEQFBCWPXSP-UHFFFAOYSA-N 0 3 258.390 3.818 20 30 CHEDHN C=CCN(Cc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC000544597725 1127978673 /nfs/dbraw/zinc/97/86/73/1127978673.db2.gz AJJPFXILCPQABI-UHFFFAOYSA-N 0 3 273.273 3.995 20 30 CHEDHN CC(C)N(Cc1cc(F)ccc1C#N)C1CCCC1 ZINC000469248560 1128039170 /nfs/dbraw/zinc/03/91/70/1128039170.db2.gz ZXZJBJHVKNOZST-UHFFFAOYSA-N 0 3 260.356 3.850 20 30 CHEDHN C[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H](C)C1 ZINC000443659170 1128046404 /nfs/dbraw/zinc/04/64/04/1128046404.db2.gz SYPNIEQYNQTCPY-QWHCGFSZSA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@H]1c1ccccc1 ZINC000542279796 1128060871 /nfs/dbraw/zinc/06/08/71/1128060871.db2.gz MPXSUBUTWSXCIL-DNVCBOLYSA-N 0 3 276.383 3.946 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000271906781 1128077604 /nfs/dbraw/zinc/07/76/04/1128077604.db2.gz CEGBHFAYBIEOND-NSHDSACASA-N 0 3 274.364 3.918 20 30 CHEDHN COCc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271935337 1128082203 /nfs/dbraw/zinc/08/22/03/1128082203.db2.gz MUFCLLQDDHHFEA-ZDUSSCGKSA-N 0 3 298.361 3.695 20 30 CHEDHN C[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000471022401 1128085675 /nfs/dbraw/zinc/08/56/75/1128085675.db2.gz MZFSNLTUDDWHRN-DNVCBOLYSA-N 0 3 292.382 3.630 20 30 CHEDHN CCC[C@H](NCCCCC#N)c1ncccc1Cl ZINC000924942640 1128117516 /nfs/dbraw/zinc/11/75/16/1128117516.db2.gz PEBIBFUTVCSYOT-ZDUSSCGKSA-N 0 3 265.788 3.860 20 30 CHEDHN CCC[C@@H](NCCCCC#N)c1ncccc1Cl ZINC000924942639 1128117537 /nfs/dbraw/zinc/11/75/37/1128117537.db2.gz PEBIBFUTVCSYOT-CYBMUJFWSA-N 0 3 265.788 3.860 20 30 CHEDHN C=CCC[C@H](N[C@H](C)c1ccnnc1)c1ccccc1 ZINC000925581078 1128133001 /nfs/dbraw/zinc/13/30/01/1128133001.db2.gz WAFDPKNQRASXTB-PBHICJAKSA-N 0 3 267.376 3.835 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000925972354 1128148537 /nfs/dbraw/zinc/14/85/37/1128148537.db2.gz FNWOUCSBJMNZFX-SWLSCSKDSA-N 0 3 290.382 3.957 20 30 CHEDHN C[C@H](NCCCC#N)c1csc(C(F)(F)F)c1 ZINC000926133844 1128156532 /nfs/dbraw/zinc/15/65/32/1128156532.db2.gz TYPPZMKODOZGNC-QMMMGPOBSA-N 0 3 262.300 3.721 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](c1ccccn1)C1CCC1 ZINC000926753393 1128192029 /nfs/dbraw/zinc/19/20/29/1128192029.db2.gz SPYQKFUAUVBTBW-BBRMVZONSA-N 0 3 271.408 3.841 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2ccccc2N(C)C)cc1C#N ZINC000926963825 1128206680 /nfs/dbraw/zinc/20/66/80/1128206680.db2.gz HILKQTMCUYTVSV-HNNXBMFYSA-N 0 3 293.414 3.784 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1nc2c(s1)COCC2 ZINC000927115921 1128219348 /nfs/dbraw/zinc/21/93/48/1128219348.db2.gz CKZKEMDGCKHVQZ-CYBMUJFWSA-N 0 3 294.464 3.830 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc(Cl)cc2c1OCC2 ZINC000927143149 1128222679 /nfs/dbraw/zinc/22/26/79/1128222679.db2.gz YIZXBEIAQMEKIM-MISXGVKJSA-N 0 3 290.794 3.618 20 30 CHEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCSC1 ZINC000495151686 1128237443 /nfs/dbraw/zinc/23/74/43/1128237443.db2.gz RBXILFGQJMVEME-CYBMUJFWSA-N 0 3 265.397 3.567 20 30 CHEDHN N#Cc1cncc(CN[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000929965096 1128295681 /nfs/dbraw/zinc/29/56/81/1128295681.db2.gz NPMAVAHQFGLZEC-GOSISDBHSA-N 0 3 295.361 3.723 20 30 CHEDHN C[N@H+](CCCCC1(C#N)CCC1)Cc1ccccc1[O-] ZINC000929976338 1128296146 /nfs/dbraw/zinc/29/61/46/1128296146.db2.gz NPCDJPWTBSZCOO-UHFFFAOYSA-N 0 3 272.392 3.688 20 30 CHEDHN C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccccc1[O-] ZINC000929976338 1128296149 /nfs/dbraw/zinc/29/61/49/1128296149.db2.gz NPCDJPWTBSZCOO-UHFFFAOYSA-N 0 3 272.392 3.688 20 30 CHEDHN CCc1ccc([C@H]2CCN(Cc3cncc(C#N)c3)C2)cc1 ZINC000930563075 1128325228 /nfs/dbraw/zinc/32/52/28/1128325228.db2.gz BXUVTSJZBFZBCJ-IBGZPJMESA-N 0 3 291.398 3.505 20 30 CHEDHN CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC000153745317 1128345776 /nfs/dbraw/zinc/34/57/76/1128345776.db2.gz SFPPOVKMCAKRAE-PXAZEXFGSA-N 0 3 296.418 3.711 20 30 CHEDHN N#Cc1cccc(CN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000609233701 1128370439 /nfs/dbraw/zinc/37/04/39/1128370439.db2.gz GXQWOZJYQQLZJZ-LJQANCHMSA-N 0 3 292.382 3.522 20 30 CHEDHN C=CCCCCN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931803848 1128382164 /nfs/dbraw/zinc/38/21/64/1128382164.db2.gz YUTMLMCPSLLYIG-GOSISDBHSA-N 0 3 281.403 3.714 20 30 CHEDHN C(=NNCc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000916343796 1128416923 /nfs/dbraw/zinc/41/69/23/1128416923.db2.gz HRTZWJXVHZZSGI-UHFFFAOYSA-N 0 3 293.414 3.801 20 30 CHEDHN C[C@H](CCC#N)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932619691 1128417554 /nfs/dbraw/zinc/41/75/54/1128417554.db2.gz RPMVEORHGQTGQK-GFCCVEGCSA-N 0 3 289.448 3.503 20 30 CHEDHN C[C@H]1CN(Cc2cccc(C#N)c2)Cc2ccccc21 ZINC000916151476 1128410040 /nfs/dbraw/zinc/41/00/40/1128410040.db2.gz IQHTUYSUHWUKLW-AWEZNQCLSA-N 0 3 262.356 3.678 20 30 CHEDHN CC1(C)CN(CC(=O)Nc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000328866114 1128434958 /nfs/dbraw/zinc/43/49/58/1128434958.db2.gz NSLLIKWLMCXSCP-HOTGVXAUSA-N 0 3 297.402 3.657 20 30 CHEDHN C=CC[N@H+](Cc1c([O-])ccc2ccccc21)C(C)C ZINC000917482220 1128501358 /nfs/dbraw/zinc/50/13/58/1128501358.db2.gz HQBJSUVAPNIHFY-UHFFFAOYSA-N 0 3 255.361 3.942 20 30 CHEDHN C=CC[N@@H+](Cc1c([O-])ccc2ccccc21)C(C)C ZINC000917482220 1128501361 /nfs/dbraw/zinc/50/13/61/1128501361.db2.gz HQBJSUVAPNIHFY-UHFFFAOYSA-N 0 3 255.361 3.942 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000567285018 1128561318 /nfs/dbraw/zinc/56/13/18/1128561318.db2.gz DJPSGTVIPWOGNG-GFCCVEGCSA-N 0 3 286.325 3.882 20 30 CHEDHN Cc1cc([C@@H](C)NCc2ccc(CC#N)cc2)cs1 ZINC000567269826 1128561448 /nfs/dbraw/zinc/56/14/48/1128561448.db2.gz YZBHXZYCPLPXOT-CYBMUJFWSA-N 0 3 270.401 3.973 20 30 CHEDHN CCOC1(CN[C@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000568656805 1128589785 /nfs/dbraw/zinc/58/97/85/1128589785.db2.gz ORLNVFZEZOIKFK-CYBMUJFWSA-N 0 3 290.382 3.697 20 30 CHEDHN C[C@H](C#N)CNCC(Cc1ccccc1)Cc1ccccc1 ZINC000569751772 1128609219 /nfs/dbraw/zinc/60/92/19/1128609219.db2.gz WWPKVZMZAOHYSD-QGZVFWFLSA-N 0 3 292.426 3.837 20 30 CHEDHN C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 ZINC000570222503 1128618290 /nfs/dbraw/zinc/61/82/90/1128618290.db2.gz BLYRFFKNOJESTP-BEFAXECRSA-N 0 3 291.398 3.926 20 30 CHEDHN N#C[C@@H]1CC=C(Nc2ccnc(C3CCC3)c2)CC1 ZINC001212859922 1128643980 /nfs/dbraw/zinc/64/39/80/1128643980.db2.gz WFNYSTYBPGPLPQ-GFCCVEGCSA-N 0 3 253.349 3.969 20 30 CHEDHN CC1CN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000573783848 1128658468 /nfs/dbraw/zinc/65/84/68/1128658468.db2.gz PYQWXSIWQDYGJY-UHFFFAOYSA-N 0 3 292.382 3.589 20 30 CHEDHN CCCCCCC[C@@H](C)NCc1ccn(CCF)n1 ZINC001258040929 1128676764 /nfs/dbraw/zinc/67/67/64/1128676764.db2.gz KJNBXMZKYPGEPC-CQSZACIVSA-N 0 3 269.408 3.691 20 30 CHEDHN CCCCCCC[C@@H](C)N1CC(N2CCC(F)CC2)C1 ZINC001258049615 1128690322 /nfs/dbraw/zinc/69/03/22/1128690322.db2.gz LYMXCDBGVNCWAB-OAHLLOKOSA-N 0 3 284.463 3.854 20 30 CHEDHN CCCCCCC[C@@H](C)N(C)Cc1cnc(C)nc1 ZINC001258050958 1128696397 /nfs/dbraw/zinc/69/63/97/1128696397.db2.gz ZZIXKVNKLYONEW-CQSZACIVSA-N 0 3 263.429 3.966 20 30 CHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccs1 ZINC000034992361 1117757357 /nfs/dbraw/zinc/75/73/57/1117757357.db2.gz XAXSYGAFNFJZJP-LBPRGKRZSA-N 0 3 272.373 3.501 20 30 CHEDHN CN(C)[C@@H]1CCOc2c(NC3=CC[C@@H](C#N)CC3)cccc21 ZINC001212867266 1128734595 /nfs/dbraw/zinc/73/45/95/1128734595.db2.gz SHMYGHVEHDPACT-CXAGYDPISA-N 0 3 297.402 3.691 20 30 CHEDHN C=CCC(C)(C)CNCc1nccn1-c1ccccc1 ZINC000339418174 1117778254 /nfs/dbraw/zinc/77/82/54/1117778254.db2.gz YMXQGWBOJJHMNK-UHFFFAOYSA-N 0 3 269.392 3.564 20 30 CHEDHN C=CCN(CCCCCCO)Cc1ccc(Cl)s1 ZINC000175739112 1117865572 /nfs/dbraw/zinc/86/55/72/1117865572.db2.gz XLMCPVUPHRPUEY-UHFFFAOYSA-N 0 3 287.856 3.942 20 30 CHEDHN C#Cc1cccc(NC(=O)CN(C)CC2CCCCCC2)c1 ZINC001167069568 1117882839 /nfs/dbraw/zinc/88/28/39/1117882839.db2.gz CLLZTKNNQIADNP-UHFFFAOYSA-N 0 3 298.430 3.509 20 30 CHEDHN C=CCCCN(C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430243425 1117910118 /nfs/dbraw/zinc/91/01/18/1117910118.db2.gz ZXKPHTWLROXRIP-UHFFFAOYSA-N 0 3 297.402 3.550 20 30 CHEDHN C=CCC(C)(C)CN[C@H]1CCCc2scnc21 ZINC000623989015 1117969809 /nfs/dbraw/zinc/96/98/09/1117969809.db2.gz FNRVZAFNPQPPST-NSHDSACASA-N 0 3 250.411 3.712 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCOCC2(CCCC2)C1 ZINC000615446181 1128749048 /nfs/dbraw/zinc/74/90/48/1128749048.db2.gz DXOXWWAAHGRZNS-HNNXBMFYSA-N 0 3 284.403 3.512 20 30 CHEDHN C=CCC[C@@H](O)CN[C@H](CCC)c1ccc(F)cc1F ZINC000181675253 1118003604 /nfs/dbraw/zinc/00/36/04/1118003604.db2.gz NSYBCSZAWPNREN-CZUORRHYSA-N 0 3 283.362 3.723 20 30 CHEDHN C#CCCCN1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001209266174 1118021323 /nfs/dbraw/zinc/02/13/23/1118021323.db2.gz RYUWCSZGWCCTSS-HNNXBMFYSA-N 0 3 291.822 3.905 20 30 CHEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCCCCCC1 ZINC001346096127 1118032565 /nfs/dbraw/zinc/03/25/65/1118032565.db2.gz MOMMQDVYWOIJSZ-GFCCVEGCSA-N 0 3 293.798 3.610 20 30 CHEDHN C=CCCCCCCN1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001209430739 1118051755 /nfs/dbraw/zinc/05/17/55/1118051755.db2.gz BOGIFHSIRWBFIJ-JKSUJKDBSA-N 0 3 263.425 3.957 20 30 CHEDHN C=CCCCCCCN1CCc2cnc(OC)cc2C1 ZINC001209438662 1118057157 /nfs/dbraw/zinc/05/71/57/1118057157.db2.gz RJOPLOPJZALQMO-UHFFFAOYSA-N 0 3 274.408 3.585 20 30 CHEDHN Cc1c([C@@H](C)NCc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000765011448 1118129792 /nfs/dbraw/zinc/12/97/92/1118129792.db2.gz BRTRHRJXSAPANA-CYBMUJFWSA-N 0 3 295.342 3.626 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc([C@H](C)O)cc1 ZINC000921584782 1118202980 /nfs/dbraw/zinc/20/29/80/1118202980.db2.gz YDKAAOGUJNXIGV-HNNXBMFYSA-N 0 3 294.398 3.518 20 30 CHEDHN Cc1ccc2c(c1)CC[C@H]2NCc1csc(C#N)c1 ZINC000921613572 1118206194 /nfs/dbraw/zinc/20/61/94/1118206194.db2.gz JSCWFDSIUYRPKC-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C#N)o2)C1 ZINC000289275232 1118306513 /nfs/dbraw/zinc/30/65/13/1118306513.db2.gz GQUXJHQHOMCECM-GUYCJALGSA-N 0 3 266.344 3.734 20 30 CHEDHN Cc1ccc(CN(C)Cc2ccc(C#N)cc2C)s1 ZINC000186202372 1118326249 /nfs/dbraw/zinc/32/62/49/1118326249.db2.gz YFVXFTSTEKZPQO-UHFFFAOYSA-N 0 3 270.401 3.869 20 30 CHEDHN C=CCCCCN[C@H](c1ccccc1)c1cncnc1 ZINC000349311383 1118417343 /nfs/dbraw/zinc/41/73/43/1118417343.db2.gz ITWCAUUDKDAQGJ-QGZVFWFLSA-N 0 3 267.376 3.512 20 30 CHEDHN CC(C)[C@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000071029244 1118422347 /nfs/dbraw/zinc/42/23/47/1118422347.db2.gz JQGHTPTZMXNTGV-HNNXBMFYSA-N 0 3 274.383 3.955 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H](CC)c1ccccc1 ZINC000050198471 1118442849 /nfs/dbraw/zinc/44/28/49/1118442849.db2.gz VODMSQNUKOXGFD-SFHVURJKSA-N 0 3 279.383 3.940 20 30 CHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610539400 1118699975 /nfs/dbraw/zinc/69/99/75/1118699975.db2.gz NUDZXLKURURMPK-STQMWFEESA-N 0 3 295.342 3.878 20 30 CHEDHN N#CCSCCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000074990837 1118755038 /nfs/dbraw/zinc/75/50/38/1118755038.db2.gz BYMHEXNUPAEERB-HNNXBMFYSA-N 0 3 296.386 3.749 20 30 CHEDHN CC1(C)Cc2occc2[C@H](NCC2(CC#N)CC2)C1 ZINC000430735536 1118765400 /nfs/dbraw/zinc/76/54/00/1118765400.db2.gz REGJZDDSYXXGSW-CYBMUJFWSA-N 0 3 258.365 3.577 20 30 CHEDHN CN(CCCCC1(C#N)CCC1)Cc1cc(C#N)cs1 ZINC000933769713 1118792803 /nfs/dbraw/zinc/79/28/03/1118792803.db2.gz DDHQQCVBDZVVLX-UHFFFAOYSA-N 0 3 287.432 3.916 20 30 CHEDHN C=CCC1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCCCC1 ZINC000617006266 1128808137 /nfs/dbraw/zinc/80/81/37/1128808137.db2.gz ZDSGFVPTQUCUAH-OAHLLOKOSA-N 0 3 292.467 3.502 20 30 CHEDHN Cc1ccc(C)c([C@H](C)N(C)Cc2ccnc(C#N)c2)c1 ZINC000610991685 1118916569 /nfs/dbraw/zinc/91/65/69/1118916569.db2.gz RANAGDYMPYZGLS-HNNXBMFYSA-N 0 3 279.387 3.763 20 30 CHEDHN CC(C)[C@@H](c1ccccc1)N(C)Cc1ccnc(C#N)c1 ZINC000610992948 1118917869 /nfs/dbraw/zinc/91/78/69/1118917869.db2.gz VRBSBXFHDOGXII-SFHVURJKSA-N 0 3 279.387 3.782 20 30 CHEDHN CC(C)CN(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610992242 1118918315 /nfs/dbraw/zinc/91/83/15/1118918315.db2.gz NDFCSMMUPQACSK-UHFFFAOYSA-N 0 3 279.387 3.611 20 30 CHEDHN C=CCOc1ccc(CN[C@H](C)c2ccnc(OC)c2)cc1 ZINC000342292303 1118969766 /nfs/dbraw/zinc/96/97/66/1118969766.db2.gz GBQKMLXZSKAJBG-CQSZACIVSA-N 0 3 298.386 3.506 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000162935491 1119021480 /nfs/dbraw/zinc/02/14/80/1119021480.db2.gz LBLFGPQQAPTWCJ-NEPJUHHUSA-N 0 3 262.784 3.690 20 30 CHEDHN CC(C)(C)c1cc(Nc2cc(F)cnc2C#N)ccn1 ZINC001213164350 1119214635 /nfs/dbraw/zinc/21/46/35/1119214635.db2.gz OIUYYSLDBHYTOO-UHFFFAOYSA-N 0 3 270.311 3.528 20 30 CHEDHN C=CCC1(NCc2ncc(Cl)s2)CCCC1 ZINC000657702486 1119258132 /nfs/dbraw/zinc/25/81/32/1119258132.db2.gz KNSIRUDKZCWYGA-UHFFFAOYSA-N 0 3 256.802 3.775 20 30 CHEDHN C=CCCC[C@@H](C)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647295964 1119366785 /nfs/dbraw/zinc/36/67/85/1119366785.db2.gz ZNHSLFARFAEUEE-ZIAGYGMSSA-N 0 3 261.413 3.615 20 30 CHEDHN N#Cc1cc(F)ccc1CN(C1CC1)C1CCCCC1 ZINC000728569605 1119377413 /nfs/dbraw/zinc/37/74/13/1119377413.db2.gz OTCZMJARIMPAJF-UHFFFAOYSA-N 0 3 272.367 3.994 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000157553505 1119403589 /nfs/dbraw/zinc/40/35/89/1119403589.db2.gz PKAPFCATLQHVJW-HNNXBMFYSA-N 0 3 260.356 3.902 20 30 CHEDHN CC(C)CCN(CCC#N)C[C@H](C)CC1CCOCC1 ZINC000349970968 1119453057 /nfs/dbraw/zinc/45/30/57/1119453057.db2.gz RPOWRBBCSWIURL-MRXNPFEDSA-N 0 3 280.456 3.701 20 30 CHEDHN N#Cc1cccc(CNCc2ccc(F)c3cccnc23)c1 ZINC000151376057 1119453731 /nfs/dbraw/zinc/45/37/31/1119453731.db2.gz CGPBKELQGFNYFG-UHFFFAOYSA-N 0 3 291.329 3.535 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000340525623 1119500093 /nfs/dbraw/zinc/50/00/93/1119500093.db2.gz WZXQARQQXKRSQJ-IKGGRYGDSA-N 0 3 272.367 3.806 20 30 CHEDHN COc1ccccc1C(C)(C)NCc1ccc(CC#N)cc1 ZINC000544071088 1119622046 /nfs/dbraw/zinc/62/20/46/1119622046.db2.gz MXBIRQYADIAPJQ-UHFFFAOYSA-N 0 3 294.398 3.786 20 30 CHEDHN C[C@H](NCC1=Cc2ccccc2OC1)c1ccc(C#N)cc1 ZINC000102424764 1119665780 /nfs/dbraw/zinc/66/57/80/1119665780.db2.gz QLRLOVYOJBVTGB-AWEZNQCLSA-N 0 3 290.366 3.685 20 30 CHEDHN CC(C)n1cccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647378628 1119710154 /nfs/dbraw/zinc/71/01/54/1119710154.db2.gz MJPMYYIKAIDAIG-GFCCVEGCSA-N 0 3 299.399 3.893 20 30 CHEDHN CCCCCCCCC[C@@H](C)OC[C@H]1CNCCO1 ZINC001217897725 1119739311 /nfs/dbraw/zinc/73/93/11/1119739311.db2.gz ZTIWBXFTQTYWPI-HZPDHXFCSA-N 0 3 271.445 3.521 20 30 CHEDHN C[C@H](CNCC(C)(C)C#N)c1cccc(Br)c1 ZINC000612588256 1119803513 /nfs/dbraw/zinc/80/35/13/1119803513.db2.gz VJVXVAUAYZLHNE-LLVKDONJSA-N 0 3 295.224 3.692 20 30 CHEDHN C=CCCCN[C@@H](C)c1ncc(Br)s1 ZINC000280083501 1119804798 /nfs/dbraw/zinc/80/47/98/1119804798.db2.gz NAGWTQHUHPSCPP-QMMMGPOBSA-N 0 3 275.215 3.522 20 30 CHEDHN C=CCOCCCN[C@H](CCC)c1ncccc1Cl ZINC000926702477 1119828404 /nfs/dbraw/zinc/82/84/04/1119828404.db2.gz HPFRDAAPXGYQIM-CQSZACIVSA-N 0 3 282.815 3.759 20 30 CHEDHN COc1ccc([C@H](C)NCc2cccc(C#N)c2)c(C)c1 ZINC000414072338 1119881489 /nfs/dbraw/zinc/88/14/89/1119881489.db2.gz UZHYQNHDVLBKGF-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)o1 ZINC000613255191 1119892531 /nfs/dbraw/zinc/89/25/31/1119892531.db2.gz XNHKVDZPENSBBB-COMQUAJESA-N 0 3 258.365 3.575 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1cc(F)cc(F)c1 ZINC000414162860 1119921573 /nfs/dbraw/zinc/92/15/73/1119921573.db2.gz HVORFGXUDCVKHL-SNVBAGLBSA-N 0 3 252.308 3.555 20 30 CHEDHN C=CCN1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000613446977 1119927101 /nfs/dbraw/zinc/92/71/01/1119927101.db2.gz PQVRBPXSKGOQCE-UHFFFAOYSA-N 0 3 259.393 3.839 20 30 CHEDHN Cc1ccc([C@@H]2CCC[C@H]2NCC(C)(C)C#N)cc1 ZINC000613540368 1120020395 /nfs/dbraw/zinc/02/03/95/1120020395.db2.gz OIOREAJSYLFUGQ-JKSUJKDBSA-N 0 3 256.393 3.771 20 30 CHEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000186315508 1120024001 /nfs/dbraw/zinc/02/40/01/1120024001.db2.gz HXMTYRLFPREWSZ-KRWDZBQOSA-N 0 3 294.402 3.544 20 30 CHEDHN CC(C)(NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000103173252 1120068453 /nfs/dbraw/zinc/06/84/53/1120068453.db2.gz URQQRWBMSVYWMH-UHFFFAOYSA-N 0 3 268.335 3.722 20 30 CHEDHN C[C@@H]1c2ccccc2CCN1Cc1ccc(C#N)cc1 ZINC000106862199 1120109068 /nfs/dbraw/zinc/10/90/68/1120109068.db2.gz NHKSHVCTSCJFOH-CQSZACIVSA-N 0 3 262.356 3.678 20 30 CHEDHN C=CCSCCN[C@@H](C)c1cccc(F)c1F ZINC000183290625 1120131470 /nfs/dbraw/zinc/13/14/70/1120131470.db2.gz OKPYOSYMDUJZOF-JTQLQIEISA-N 0 3 257.349 3.535 20 30 CHEDHN COc1cccc([C@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000361865108 1120192373 /nfs/dbraw/zinc/19/23/73/1120192373.db2.gz KEEQCKYFMSODRA-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C#N)cc1 ZINC000188097143 1120268285 /nfs/dbraw/zinc/26/82/85/1120268285.db2.gz HMUKBSMWTYDDDZ-AWEZNQCLSA-N 0 3 275.355 3.623 20 30 CHEDHN CC(C)(NCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000076901824 1120301113 /nfs/dbraw/zinc/30/11/13/1120301113.db2.gz UACFOSJUOVCDJU-UHFFFAOYSA-N 0 3 268.335 3.722 20 30 CHEDHN CSc1cc(CNCc2c(C)cc(C#N)cc2C)ccn1 ZINC000921960634 1120306989 /nfs/dbraw/zinc/30/69/89/1120306989.db2.gz OXASFAKVZCIJPI-UHFFFAOYSA-N 0 3 297.427 3.582 20 30 CHEDHN C=C(C)CN1CCC(Oc2ccccc2Cl)CC1 ZINC000157299398 1120324598 /nfs/dbraw/zinc/32/45/98/1120324598.db2.gz RIZASYMQHPNYCA-UHFFFAOYSA-N 0 3 265.784 3.759 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nn(C)c(C)c1Cl ZINC000657530254 1120489060 /nfs/dbraw/zinc/48/90/60/1120489060.db2.gz NXBFCPYJSNPTET-QWHCGFSZSA-N 0 3 281.831 3.606 20 30 CHEDHN C=C(C)CN(CC)Cc1cn(C)nc1C1CCCCC1 ZINC000543397507 1120509087 /nfs/dbraw/zinc/50/90/87/1120509087.db2.gz RJJCHCBNPDUVCI-UHFFFAOYSA-N 0 3 275.440 3.866 20 30 CHEDHN CN(CCc1cccc2ccccc21)Cc1ccc(C#N)o1 ZINC000092663954 1120545576 /nfs/dbraw/zinc/54/55/76/1120545576.db2.gz SUJSCMOUQUPYNL-UHFFFAOYSA-N 0 3 290.366 3.979 20 30 CHEDHN COc1ccc([C@@H]2CCN(Cc3ccccc3C#N)C2)cc1 ZINC000155279682 1120578903 /nfs/dbraw/zinc/57/89/03/1120578903.db2.gz KMNPMNAMIMTLEL-GOSISDBHSA-N 0 3 292.382 3.556 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000284212033 1120640934 /nfs/dbraw/zinc/64/09/34/1120640934.db2.gz SSJGNSTWOZIJTO-ORAYPTAESA-N 0 3 292.382 3.992 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000284212038 1120641195 /nfs/dbraw/zinc/64/11/95/1120641195.db2.gz SSJGNSTWOZIJTO-YJYMSZOUSA-N 0 3 292.382 3.992 20 30 CHEDHN CCCCCCCN[C@@H]1CCCc2oc(C)nc21 ZINC000925703405 1120641676 /nfs/dbraw/zinc/64/16/76/1120641676.db2.gz UHYAKTARXNNTEF-CYBMUJFWSA-N 0 3 250.386 3.920 20 30 CHEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000186704466 1120645470 /nfs/dbraw/zinc/64/54/70/1120645470.db2.gz GEPFJAAQEQQRTK-MWLCHTKSSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000766021523 1120664585 /nfs/dbraw/zinc/66/45/85/1120664585.db2.gz UJYJFOHTFDRMDN-CXAGYDPISA-N 0 3 297.358 3.958 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000162914735 1120697276 /nfs/dbraw/zinc/69/72/76/1120697276.db2.gz XWXSNPHPHBKFAR-BBRMVZONSA-N 0 3 274.795 3.976 20 30 CHEDHN CCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618743092 1128935532 /nfs/dbraw/zinc/93/55/32/1128935532.db2.gz WGTYMJVQUSGPNL-IBGZPJMESA-N 0 3 292.382 3.734 20 30 CHEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000661379361 1120760097 /nfs/dbraw/zinc/76/00/97/1120760097.db2.gz XHBCPIQZVRISOZ-HZPDHXFCSA-N 0 3 286.419 3.610 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2cncn2Cc2ccccc2)C1 ZINC000661386864 1120760855 /nfs/dbraw/zinc/76/08/55/1120760855.db2.gz VNEWRSQFZRDMRH-QGZVFWFLSA-N 0 3 295.430 3.720 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2c1cccc2F ZINC000618802941 1128939593 /nfs/dbraw/zinc/93/95/93/1128939593.db2.gz GHUPUCWLOFRFIS-OALUTQOASA-N 0 3 292.357 3.962 20 30 CHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccs1 ZINC000618807349 1128940580 /nfs/dbraw/zinc/94/05/80/1128940580.db2.gz YFPNGCAZHMVBSK-XHDPSFHLSA-N 0 3 268.385 3.958 20 30 CHEDHN C=CC[C@H](C)N[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652166391 1120795271 /nfs/dbraw/zinc/79/52/71/1120795271.db2.gz QNRQKLPQRJPSAT-KBXCAEBGSA-N 0 3 282.387 3.734 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000662081137 1120870518 /nfs/dbraw/zinc/87/05/18/1120870518.db2.gz UQECOVZCGIYOID-ZACQAIPSSA-N 0 3 298.430 3.813 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1 ZINC000893545936 1120892603 /nfs/dbraw/zinc/89/26/03/1120892603.db2.gz YDYGUZRYPGTKJW-GMXABZIVSA-N 0 3 296.336 3.879 20 30 CHEDHN N#CCC1(CNC2(c3cccc(Cl)c3)CC2)CC1 ZINC000602804332 1120942898 /nfs/dbraw/zinc/94/28/98/1120942898.db2.gz FSBYTMHBYCBCJJ-UHFFFAOYSA-N 0 3 260.768 3.613 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000625702277 1121061470 /nfs/dbraw/zinc/06/14/70/1121061470.db2.gz WPFNPYZIDUOQGS-CYBMUJFWSA-N 0 3 286.350 3.879 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000625702585 1121061968 /nfs/dbraw/zinc/06/19/68/1121061968.db2.gz HIVJDOUBYBDSTC-AWEZNQCLSA-N 0 3 268.360 3.740 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C2CC2)s1 ZINC000658033432 1121120942 /nfs/dbraw/zinc/12/09/42/1121120942.db2.gz BHURPYGLGKDJOB-WCQYABFASA-N 0 3 277.437 3.640 20 30 CHEDHN C=CCC[C@@H](CO)N[C@H](C)c1cccc(Cl)c1Cl ZINC000320155997 1121182397 /nfs/dbraw/zinc/18/23/97/1121182397.db2.gz ADJREQRYKWTCAY-MNOVXSKESA-N 0 3 288.218 3.971 20 30 CHEDHN C=C(C)CNCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000512343114 1121278255 /nfs/dbraw/zinc/27/82/55/1121278255.db2.gz NOMVJJUIEPDLBN-UHFFFAOYSA-N 0 3 283.419 3.836 20 30 CHEDHN C=CC[C@H](CO)N[C@H](CC)c1ccc(Cl)cc1Cl ZINC000320268844 1121287296 /nfs/dbraw/zinc/28/72/96/1121287296.db2.gz LLNVESJYIZALQS-BXUZGUMPSA-N 0 3 288.218 3.971 20 30 CHEDHN C[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000638900544 1121367489 /nfs/dbraw/zinc/36/74/89/1121367489.db2.gz QISSRDKKYZKWQH-SMDDNHRTSA-N 0 3 299.361 3.541 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1ccccc1OC(F)(F)F ZINC000675933416 1121388254 /nfs/dbraw/zinc/38/82/54/1121388254.db2.gz DNRWFCBQFOEVLE-UWVGGRQHSA-N 0 3 259.271 3.810 20 30 CHEDHN C#CCC1(NCc2csc(CC)n2)CCCCC1 ZINC000922984363 1121503743 /nfs/dbraw/zinc/50/37/43/1121503743.db2.gz RSHFCTAKVDICCT-UHFFFAOYSA-N 0 3 262.422 3.521 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC001176069211 1121546795 /nfs/dbraw/zinc/54/67/95/1121546795.db2.gz HRMVPAGYVFNPSN-CQSZACIVSA-N 0 3 291.822 3.972 20 30 CHEDHN C=CCC1(NCc2nnc(-c3ccco3)o2)CCCCC1 ZINC000625937495 1121554079 /nfs/dbraw/zinc/55/40/79/1121554079.db2.gz BTDNTBKWPAHLMA-UHFFFAOYSA-N 0 3 287.363 3.698 20 30 CHEDHN Cc1ccc(C[C@@H]2CCCN(Cc3ccc(C#N)o3)C2)cc1 ZINC000611266891 1121634155 /nfs/dbraw/zinc/63/41/55/1121634155.db2.gz RGIFAMYLXACOAS-KRWDZBQOSA-N 0 3 294.398 3.914 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000611300382 1121636375 /nfs/dbraw/zinc/63/63/75/1121636375.db2.gz XGWYNKHITVGCQA-UKRRQHHQSA-N 0 3 279.387 3.982 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1OCCNC1(c2cccc(C#N)c2)CC1 ZINC000611396023 1121643587 /nfs/dbraw/zinc/64/35/87/1121643587.db2.gz AQGKHKIXZQXYEY-QAPCUYQASA-N 0 3 298.430 3.732 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCc2ccccc21 ZINC000611549062 1121655816 /nfs/dbraw/zinc/65/58/16/1121655816.db2.gz ZLKPKEICBGRDTK-MRXNPFEDSA-N 0 3 294.373 3.859 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000397635966 1121691086 /nfs/dbraw/zinc/69/10/86/1121691086.db2.gz XBUSKBCGTVSPJB-GFCCVEGCSA-N 0 3 282.309 3.831 20 30 CHEDHN Cc1cccnc1[C@@H](C)NCCC1(C#N)CCCCC1 ZINC001176895850 1121701615 /nfs/dbraw/zinc/70/16/15/1121701615.db2.gz ACGPXAHPEKFEJX-OAHLLOKOSA-N 0 3 271.408 3.905 20 30 CHEDHN Cn1cc(CN2CCCC[C@@H]2c2ccccc2)cc1C#N ZINC000343666844 1121703306 /nfs/dbraw/zinc/70/33/06/1121703306.db2.gz YQMGMRCPUIVXSU-GOSISDBHSA-N 0 3 279.387 3.624 20 30 CHEDHN CC(C)c1cccnc1NC(=O)C(C#N)Cc1cccs1 ZINC001177909368 1121756584 /nfs/dbraw/zinc/75/65/84/1121756584.db2.gz UMPDPMZDAFRYMO-LBPRGKRZSA-N 0 3 299.399 3.587 20 30 CHEDHN C=CCCC(C)(C)CNCc1c(Cl)ncn1CC ZINC001179324777 1121871988 /nfs/dbraw/zinc/87/19/88/1121871988.db2.gz FYYAABWJDNWECA-UHFFFAOYSA-N 0 3 269.820 3.638 20 30 CHEDHN Cc1ccc(F)cc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619749108 1129012438 /nfs/dbraw/zinc/01/24/38/1129012438.db2.gz KJXJURCYVDWEBY-UHFFFAOYSA-N 0 3 288.753 3.949 20 30 CHEDHN C=CCCC(C)(C)C[NH2+][C@@H](c1cccs1)c1nnc[n-]1 ZINC000631684506 1129021856 /nfs/dbraw/zinc/02/18/56/1129021856.db2.gz SBQBLELYVHRRJC-ZDUSSCGKSA-N 0 3 290.436 3.538 20 30 CHEDHN C=CC(C)(C)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001181818628 1122081634 /nfs/dbraw/zinc/08/16/34/1122081634.db2.gz NPUDCWJEZZENGD-UHFFFAOYSA-N 0 3 298.224 3.765 20 30 CHEDHN CO[C@H](CNCC1(C#N)CCCCC1)C1CCCCC1 ZINC001182930003 1122198598 /nfs/dbraw/zinc/19/85/98/1122198598.db2.gz SVVHGEGGRIOWKL-MRXNPFEDSA-N 0 3 278.440 3.645 20 30 CHEDHN C=CCN1CCC[C@H]1CNC(=O)CCCC1CCCCC1 ZINC001184225283 1122262502 /nfs/dbraw/zinc/26/25/02/1122262502.db2.gz ZFCHDWQLXAWMGL-KRWDZBQOSA-N 0 3 292.467 3.504 20 30 CHEDHN C=CC[C@H]1[N@H+](Cc2cccc(OC)c2[O-])CCCC1(C)C ZINC000775179271 1122467640 /nfs/dbraw/zinc/46/76/40/1122467640.db2.gz MJEZJKREFQXBEA-MRXNPFEDSA-N 0 3 289.419 3.968 20 30 CHEDHN C=CC[C@H]1[N@@H+](Cc2cccc(OC)c2[O-])CCCC1(C)C ZINC000775179271 1122467643 /nfs/dbraw/zinc/46/76/43/1122467643.db2.gz MJEZJKREFQXBEA-MRXNPFEDSA-N 0 3 289.419 3.968 20 30 CHEDHN C=CC[C@@H]1[N@H+](Cc2cccc(OC)c2[O-])CCCC1(C)C ZINC000775179269 1122467861 /nfs/dbraw/zinc/46/78/61/1122467861.db2.gz MJEZJKREFQXBEA-INIZCTEOSA-N 0 3 289.419 3.968 20 30 CHEDHN C=CC[C@@H]1[N@@H+](Cc2cccc(OC)c2[O-])CCCC1(C)C ZINC000775179269 1122467866 /nfs/dbraw/zinc/46/78/66/1122467866.db2.gz MJEZJKREFQXBEA-INIZCTEOSA-N 0 3 289.419 3.968 20 30 CHEDHN CC[C@@](C)(NCc1cc(C#N)ccc1OC)c1ccccc1 ZINC000775389731 1122539280 /nfs/dbraw/zinc/53/92/80/1122539280.db2.gz XYKFQSISHIDVAE-LJQANCHMSA-N 0 3 294.398 3.982 20 30 CHEDHN C#CCN(C[C@H]1CCCC(C)(C)O1)[C@H]1CCc2ccccc21 ZINC001190530043 1122541885 /nfs/dbraw/zinc/54/18/85/1122541885.db2.gz ZBAPLJFOGJHCTB-MJGOQNOKSA-N 0 3 297.442 3.957 20 30 CHEDHN C=CCCCCCN(C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC001191133856 1122579602 /nfs/dbraw/zinc/57/96/02/1122579602.db2.gz TXEICMLQEIVXLB-QGZVFWFLSA-N 0 3 292.467 3.598 20 30 CHEDHN C[C@H](CC(C)(C)c1ccccc1)NC[C@H](C#N)CCC#N ZINC000516452847 1122602543 /nfs/dbraw/zinc/60/25/43/1122602543.db2.gz BOECJUYRORNONM-CVEARBPZSA-N 0 3 283.419 3.776 20 30 CHEDHN CC1(C)CN(Cc2ccc(F)c(C#N)c2)CC(C)(C)C1 ZINC001193105275 1122676641 /nfs/dbraw/zinc/67/66/41/1122676641.db2.gz WLYMNEIIJUEUDH-UHFFFAOYSA-N 0 3 274.383 3.955 20 30 CHEDHN C#C[C@@](C)(CC)NCc1ccc(OCc2ccccc2)nc1 ZINC001194505041 1122781340 /nfs/dbraw/zinc/78/13/40/1122781340.db2.gz JHYRFYIWJIBGDY-IBGZPJMESA-N 0 3 294.398 3.552 20 30 CHEDHN C[C@H](NCc1cccc(C#N)c1)c1cc2ccccc2[nH]1 ZINC000775624070 1122827167 /nfs/dbraw/zinc/82/71/67/1122827167.db2.gz XHUMXMDFDTZHDC-ZDUSSCGKSA-N 0 3 275.355 3.890 20 30 CHEDHN C=C(C)CC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000775630759 1122836708 /nfs/dbraw/zinc/83/67/08/1122836708.db2.gz DGWQOXIISBUXRX-UHFFFAOYSA-N 0 3 271.360 3.954 20 30 CHEDHN C=C(C)CC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000775630759 1122836713 /nfs/dbraw/zinc/83/67/13/1122836713.db2.gz DGWQOXIISBUXRX-UHFFFAOYSA-N 0 3 271.360 3.954 20 30 CHEDHN CCSCC[C@@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000440368732 1122842204 /nfs/dbraw/zinc/84/22/04/1122842204.db2.gz UJDVPDJXINHUFL-CQSZACIVSA-N 0 3 279.424 3.641 20 30 CHEDHN C=CCOc1ccc(CN(CCOC)C2CC2)cc1Cl ZINC000507170186 1122935215 /nfs/dbraw/zinc/93/52/15/1122935215.db2.gz LXPFPWAJIZRXEC-UHFFFAOYSA-N 0 3 295.810 3.516 20 30 CHEDHN C#CC[C@H]1CCN(Cc2ccc(C)c(Br)c2)C1 ZINC001197701863 1122966646 /nfs/dbraw/zinc/96/66/46/1122966646.db2.gz PAYYZNKGQCQRST-ZDUSSCGKSA-N 0 3 292.220 3.603 20 30 CHEDHN C[C@H](NCc1cc(C#N)ccc1Br)C1(C)CC1 ZINC001198406203 1122990727 /nfs/dbraw/zinc/99/07/27/1122990727.db2.gz GMFZBRMOKZZRJC-JTQLQIEISA-N 0 3 293.208 3.599 20 30 CHEDHN C[C@H]1CN(c2cccc(Cl)c2)CCN1CCCCC#N ZINC000519742057 1123022510 /nfs/dbraw/zinc/02/25/10/1123022510.db2.gz QCJDAQSTRVNKRO-AWEZNQCLSA-N 0 3 291.826 3.544 20 30 CHEDHN C#CCCCCCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000779742789 1129095301 /nfs/dbraw/zinc/09/53/01/1129095301.db2.gz KCOVDHXESABPHR-UHFFFAOYSA-N 0 3 297.402 3.534 20 30 CHEDHN CS[C@@H]1CCCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000441127772 1123060227 /nfs/dbraw/zinc/06/02/27/1123060227.db2.gz CHGGPFZQOBEUGF-MRXNPFEDSA-N 0 3 293.863 3.909 20 30 CHEDHN C[C@@H](NCc1cncc2ccccc21)c1cccc(C#N)c1 ZINC000776217945 1123155892 /nfs/dbraw/zinc/15/58/92/1123155892.db2.gz CJDXZPCVHRNZHZ-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN C#CCOc1ccc(CNCc2cccc(CC)c2)cc1 ZINC001202466778 1123209402 /nfs/dbraw/zinc/20/94/02/1123209402.db2.gz PISASHLOXKCLTG-UHFFFAOYSA-N 0 3 279.383 3.551 20 30 CHEDHN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)cnc1Cl ZINC000850356668 1123255512 /nfs/dbraw/zinc/25/55/12/1123255512.db2.gz RACYQICQVMNXGM-UHFFFAOYSA-N 0 3 299.805 3.940 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H](CC(F)(F)F)c2ccccc2)C1 ZINC000442714497 1123334530 /nfs/dbraw/zinc/33/45/30/1123334530.db2.gz LQKKXZKLOIRKDO-XBFCOCLRSA-N 0 3 282.309 3.962 20 30 CHEDHN C[C@H]1C[C@@H](NCCCC#N)c2ccsc2S1 ZINC000273250540 1129124354 /nfs/dbraw/zinc/12/43/54/1129124354.db2.gz KXDLGSRCWDPLHT-GXSJLCMTSA-N 0 3 252.408 3.567 20 30 CHEDHN C#CC[C@H](NCc1ccc(C#N)cc1C)c1ccccc1 ZINC000776798162 1123510525 /nfs/dbraw/zinc/51/05/25/1123510525.db2.gz HBYUTKZIGXTCOK-IBGZPJMESA-N 0 3 274.367 3.721 20 30 CHEDHN C#CC[C@@H](NCc1ccc(C#N)cc1C)c1ccccc1 ZINC000776798165 1123510570 /nfs/dbraw/zinc/51/05/70/1123510570.db2.gz HBYUTKZIGXTCOK-LJQANCHMSA-N 0 3 274.367 3.721 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccnc2)c1 ZINC000113952604 1123548613 /nfs/dbraw/zinc/54/86/13/1123548613.db2.gz VTJRPCGJRLUUIL-PBHICJAKSA-N 0 3 295.386 3.613 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccs2)c1 ZINC000113961783 1123550216 /nfs/dbraw/zinc/55/02/16/1123550216.db2.gz SMUCKCBNNOUNAD-AWEZNQCLSA-N 0 3 286.400 3.719 20 30 CHEDHN CCC(CC)N(C)Cc1cc(Br)ccc1C#N ZINC001141905007 1123608773 /nfs/dbraw/zinc/60/87/73/1123608773.db2.gz MLVBTYMPGGMPCS-UHFFFAOYSA-N 0 3 295.224 3.941 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000185780789 1123611091 /nfs/dbraw/zinc/61/10/91/1123611091.db2.gz WSHVNOOQFDMROM-TZMCWYRMSA-N 0 3 254.333 3.605 20 30 CHEDHN CCC(CC)CN(CCC#N)CCC1(OC)CCC1 ZINC000339009203 1123627679 /nfs/dbraw/zinc/62/76/79/1123627679.db2.gz BKZMNSGMIGLNPI-UHFFFAOYSA-N 0 3 266.429 3.597 20 30 CHEDHN C=C(C)CCNCc1cc(OC)ccc1Br ZINC000395404197 1123661146 /nfs/dbraw/zinc/66/11/46/1123661146.db2.gz DEIPRTWESHHATF-UHFFFAOYSA-N 0 3 284.197 3.514 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCO3)cc1C#N ZINC000859228824 1123691904 /nfs/dbraw/zinc/69/19/04/1123691904.db2.gz CLJHJHMATGZKNR-AWEZNQCLSA-N 0 3 292.382 3.652 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccn1 ZINC000860467184 1123735048 /nfs/dbraw/zinc/73/50/48/1123735048.db2.gz GGDOVMQMOUCHPF-ZACQAIPSSA-N 0 3 290.366 3.842 20 30 CHEDHN C=C(Br)CN1CCCC[C@H]1[C@@H](C)CC ZINC000740423358 1123751004 /nfs/dbraw/zinc/75/10/04/1123751004.db2.gz HSEDCUHSVHYIRS-JQWIXIFHSA-N 0 3 260.219 3.796 20 30 CHEDHN C=CCN(Cc1cc(C)c(Br)cn1)C(C)C ZINC000862223503 1123792708 /nfs/dbraw/zinc/79/27/08/1123792708.db2.gz HWSCNDLXCNRRGM-UHFFFAOYSA-N 0 3 283.213 3.549 20 30 CHEDHN C#C[C@H](N[C@@H](C)C1CC(F)(F)C1)c1ccc(F)cc1 ZINC000862373570 1123804562 /nfs/dbraw/zinc/80/45/62/1123804562.db2.gz GJSOHHZTUJKRHW-HZMBPMFUSA-N 0 3 267.294 3.523 20 30 CHEDHN Cc1c(F)nccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000862396346 1123807573 /nfs/dbraw/zinc/80/75/73/1123807573.db2.gz MKEPECUYJFKAEK-QGZVFWFLSA-N 0 3 295.361 3.568 20 30 CHEDHN C#CC[C@H]1CCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000862446765 1123811172 /nfs/dbraw/zinc/81/11/72/1123811172.db2.gz DFPMFCBVNQGUPC-ZDUSSCGKSA-N 0 3 284.790 3.733 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCCC[C@@H]1c1cccn1C ZINC000186247930 1123818925 /nfs/dbraw/zinc/81/89/25/1123818925.db2.gz XNAYLWHEYPDERL-LJQANCHMSA-N 0 3 293.414 3.932 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccn1C ZINC000186262056 1123821181 /nfs/dbraw/zinc/82/11/81/1123821181.db2.gz REOURZMVNHNUTE-GOSISDBHSA-N 0 3 279.387 3.542 20 30 CHEDHN CCCCCCCN1CCCN(CC(F)(F)F)CC1 ZINC000119028617 1123824683 /nfs/dbraw/zinc/82/46/83/1123824683.db2.gz NSLKGGNUSMCIMP-UHFFFAOYSA-N 0 3 280.378 3.527 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2sccc2Br)C1 ZINC000192977916 1123868033 /nfs/dbraw/zinc/86/80/33/1123868033.db2.gz GVHYKWOJUUYZDC-VHSXEESVSA-N 0 3 299.237 3.683 20 30 CHEDHN C#Cc1cccc(CNCc2csc(C)c2C)c1 ZINC000865592928 1123997265 /nfs/dbraw/zinc/99/72/65/1123997265.db2.gz DZHLTZUILNDXBO-UHFFFAOYSA-N 0 3 255.386 3.636 20 30 CHEDHN CC(C)[C@@H](NCCOCCC#N)c1ccccc1Cl ZINC000339073865 1124016481 /nfs/dbraw/zinc/01/64/81/1124016481.db2.gz NKVINXJNDHQVMM-OAHLLOKOSA-N 0 3 280.799 3.557 20 30 CHEDHN C[C@@H]1CN(Cc2cccc(F)c2C#N)[C@@H]2CCCC[C@@H]21 ZINC000428363229 1124017170 /nfs/dbraw/zinc/01/71/70/1124017170.db2.gz PZURCCCFCLMDNY-SUYBPPKGSA-N 0 3 272.367 3.708 20 30 CHEDHN C#CCOc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000093315844 1124022204 /nfs/dbraw/zinc/02/22/04/1124022204.db2.gz QFPGRNOQVBKPGC-HNNXBMFYSA-N 0 3 295.382 3.597 20 30 CHEDHN CC1(C)CCCC[C@H]1NCc1cccc(F)c1C#N ZINC000428436545 1124110823 /nfs/dbraw/zinc/11/08/23/1124110823.db2.gz QPGNLCDOVJSWPM-OAHLLOKOSA-N 0 3 260.356 3.756 20 30 CHEDHN CCc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1C#N ZINC001238774728 1131244043 /nfs/dbraw/zinc/24/40/43/1131244043.db2.gz KPZXJBSTNKMFLD-UHFFFAOYSA-N 0 3 289.382 3.624 20 30 CHEDHN N#CC[C@H]1CCCN([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170934245 1131258486 /nfs/dbraw/zinc/25/84/86/1131258486.db2.gz LUVMEHWFPVPZAT-HIFRSBDPSA-N 0 3 288.822 3.823 20 30 CHEDHN N#Cc1c(F)cccc1CN1CCC[C@H]1Cc1ccccc1 ZINC000428476835 1124458271 /nfs/dbraw/zinc/45/82/71/1124458271.db2.gz YMUVYJWQQUPWRY-KRWDZBQOSA-N 0 3 294.373 3.904 20 30 CHEDHN CCCCN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000448196474 1124570087 /nfs/dbraw/zinc/57/00/87/1124570087.db2.gz KTYITIQMKSUZKH-UHFFFAOYSA-N 0 3 285.309 3.669 20 30 CHEDHN N#CCc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000528655989 1124732711 /nfs/dbraw/zinc/73/27/11/1124732711.db2.gz DORRPTCANGYXDF-IBGZPJMESA-N 0 3 291.398 3.779 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000528656746 1124733719 /nfs/dbraw/zinc/73/37/19/1124733719.db2.gz HDKXBEDMYBAPRG-IBGZPJMESA-N 0 3 291.398 3.893 20 30 CHEDHN C#C[C@H](C)N(C)Cc1ccc(-c2scnc2C)cc1 ZINC000825710330 1124814014 /nfs/dbraw/zinc/81/40/14/1124814014.db2.gz MCTYONHZNJKMJN-LBPRGKRZSA-N 0 3 270.401 3.572 20 30 CHEDHN CCCCCCCOC(=O)Nc1cccc2c1CNC2 ZINC001239312621 1131314295 /nfs/dbraw/zinc/31/42/95/1131314295.db2.gz VATCOJFHWYNOPK-UHFFFAOYSA-N 0 3 276.380 3.809 20 30 CHEDHN CC1CCC(C)(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123478134 1131315470 /nfs/dbraw/zinc/31/54/70/1131315470.db2.gz ZKYAZBZOCKPVET-YZKWQOGNSA-N 0 3 292.329 3.752 20 30 CHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1CCC(C)C ZINC000876630385 1124966553 /nfs/dbraw/zinc/96/65/53/1124966553.db2.gz YAWWWPYTVARMMH-CQSZACIVSA-N 0 3 294.826 3.684 20 30 CHEDHN C#CCCCCCCNC(C)(C)c1ncc(C)s1 ZINC000877080601 1125006640 /nfs/dbraw/zinc/00/66/40/1125006640.db2.gz FQGIRQIGWWCJNY-UHFFFAOYSA-N 0 3 264.438 3.860 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1cncc2ccccc21 ZINC000877366513 1125023354 /nfs/dbraw/zinc/02/33/54/1125023354.db2.gz WCGPWHFJTAZTNJ-YOEHRIQHSA-N 0 3 281.403 3.838 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1CCC[C@H](C)[C@H]1C)c1ccccc1 ZINC000878129519 1125122664 /nfs/dbraw/zinc/12/26/64/1125122664.db2.gz KJUDRQHIKMUKLO-FRQCXROJSA-N 0 3 298.430 3.547 20 30 CHEDHN C#CCCCCCN[C@@](C)(CC)c1nccs1 ZINC000878253408 1125135146 /nfs/dbraw/zinc/13/51/46/1125135146.db2.gz BTALKGPUSNRJCU-AWEZNQCLSA-N 0 3 250.411 3.552 20 30 CHEDHN C[C@H](c1ccccc1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000880248703 1125260102 /nfs/dbraw/zinc/26/01/02/1125260102.db2.gz XNVGYAVIEFQROT-QGZVFWFLSA-N 0 3 299.462 3.695 20 30 CHEDHN Cc1cccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)c1 ZINC000191230620 1125347278 /nfs/dbraw/zinc/34/72/78/1125347278.db2.gz KZRMYHVLIWJHNI-GOSISDBHSA-N 0 3 279.387 3.542 20 30 CHEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC1CCCCC1 ZINC000532586923 1125416102 /nfs/dbraw/zinc/41/61/02/1125416102.db2.gz ZRTIBNUSLLRTPJ-OAHLLOKOSA-N 0 3 280.456 3.502 20 30 CHEDHN CN(C[C@H](C#N)CCC#N)CC12CC3CC(CC(C3)C1)C2 ZINC000028922735 1125416234 /nfs/dbraw/zinc/41/62/34/1125416234.db2.gz DNRVYEFLVQZCLJ-NUVRTYOOSA-N 0 3 285.435 3.578 20 30 CHEDHN C=CCCCCCC[C@H](O)CN[C@H](C)c1ccoc1 ZINC001253251720 1125424872 /nfs/dbraw/zinc/42/48/72/1125424872.db2.gz NJVUAFPMJKWKPN-ZBFHGGJFSA-N 0 3 265.397 3.818 20 30 CHEDHN Cc1cccc2c1CN([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000429557897 1125433409 /nfs/dbraw/zinc/43/34/09/1125433409.db2.gz CWKGIUVSSPTICK-OAHLLOKOSA-N 0 3 276.383 3.986 20 30 CHEDHN C#Cc1ccc(CN[C@@H]2CCCc3c(F)cccc32)cc1 ZINC001202602429 1125440033 /nfs/dbraw/zinc/44/00/33/1125440033.db2.gz BHJIQZFBHUWKEO-LJQANCHMSA-N 0 3 279.358 3.974 20 30 CHEDHN CCC[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1[O-] ZINC000092705060 1129405066 /nfs/dbraw/zinc/40/50/66/1129405066.db2.gz HLBLAPSRCWHMTD-UHFFFAOYSA-N 0 3 286.400 3.738 20 30 CHEDHN CCC[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1[O-] ZINC000092705060 1129405068 /nfs/dbraw/zinc/40/50/68/1129405068.db2.gz HLBLAPSRCWHMTD-UHFFFAOYSA-N 0 3 286.400 3.738 20 30 CHEDHN COc1ccc(CN[C@@H]2CCc3c2cccc3C)cc1C#N ZINC000742370537 1129474936 /nfs/dbraw/zinc/47/49/36/1129474936.db2.gz ZWBWBZKWJWFWLT-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN CCCCC[C@H](CCC)NC(=N)c1ccc(F)cn1 ZINC001258665193 1129478317 /nfs/dbraw/zinc/47/83/17/1129478317.db2.gz VYKBCXHEISIAPO-ZDUSSCGKSA-N 0 3 265.376 3.675 20 30 CHEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1C ZINC000743495374 1129528660 /nfs/dbraw/zinc/52/86/60/1129528660.db2.gz DQGHQHCBMCRWOE-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN C=C(Br)CN1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000743854334 1129540310 /nfs/dbraw/zinc/54/03/10/1129540310.db2.gz UHFDEICOENITMP-WOPDTQHZSA-N 0 3 258.203 3.548 20 30 CHEDHN C[C@@H](N(C)Cn1ccc(-c2ccc(C#N)cc2)n1)C(C)(C)C ZINC000744129142 1129554127 /nfs/dbraw/zinc/55/41/27/1129554127.db2.gz BTPVAOHIYXKUBJ-CQSZACIVSA-N 0 3 296.418 3.746 20 30 CHEDHN Cc1cccc([C@H](C)NCc2ccc(F)c(C#N)c2)c1 ZINC000227349349 1129651108 /nfs/dbraw/zinc/65/11/08/1129651108.db2.gz QEYFGUHNEHTFGE-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN C=CCOCCNCc1ccccc1OCc1ccccc1 ZINC000385430511 1129651830 /nfs/dbraw/zinc/65/18/30/1129651830.db2.gz NEOJDCOURNQIKJ-UHFFFAOYSA-N 0 3 297.398 3.558 20 30 CHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000766350411 1129656638 /nfs/dbraw/zinc/65/66/38/1129656638.db2.gz KZYNCKCHWCSPKM-ZIAGYGMSSA-N 0 3 292.382 3.905 20 30 CHEDHN CC(C)(C)CN(CCC#N)CC[C@@H]1CC1(Cl)Cl ZINC000822635284 1131393136 /nfs/dbraw/zinc/39/31/36/1131393136.db2.gz VAZWIZMPIWJFDU-LLVKDONJSA-N 0 3 277.239 3.832 20 30 CHEDHN C#C[C@@](C)(CC)Nc1cccc(CN(CC)CC)c1F ZINC001169700294 1129748897 /nfs/dbraw/zinc/74/88/97/1129748897.db2.gz MENHELMAFVNETO-KRWDZBQOSA-N 0 3 276.399 3.881 20 30 CHEDHN C=CCOc1cccc(CN2CCC3(CC3(F)F)CC2)c1 ZINC000651953514 1129752823 /nfs/dbraw/zinc/75/28/23/1129752823.db2.gz KCNDHTAABKMZHT-UHFFFAOYSA-N 0 3 293.357 3.873 20 30 CHEDHN C=CCCCN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652194626 1129758887 /nfs/dbraw/zinc/75/88/87/1129758887.db2.gz VZOJEQXYVRJHAH-GOSISDBHSA-N 0 3 282.387 3.735 20 30 CHEDHN C#CCCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000766924920 1129769744 /nfs/dbraw/zinc/76/97/44/1129769744.db2.gz UOZUOXQSXMIQEH-MRXNPFEDSA-N 0 3 263.331 3.905 20 30 CHEDHN CC(C)N(Cc1ccco1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768250588 1129847328 /nfs/dbraw/zinc/84/73/28/1129847328.db2.gz WBDJHBMBNLLZPT-OAHLLOKOSA-N 0 3 298.386 3.981 20 30 CHEDHN C=C1CCC(CN[C@@H](C)c2csc(C)n2)CC1 ZINC000724487996 1129852490 /nfs/dbraw/zinc/85/24/90/1129852490.db2.gz FSFIURHRPPTRAI-NSHDSACASA-N 0 3 250.411 3.849 20 30 CHEDHN C=CCN(Cc1ccc(OC)cc1OC(F)F)C(C)C ZINC000768548268 1129863856 /nfs/dbraw/zinc/86/38/56/1129863856.db2.gz ZNQFWZMTZPVXRZ-UHFFFAOYSA-N 0 3 285.334 3.693 20 30 CHEDHN SC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137714491 1131407008 /nfs/dbraw/zinc/40/70/08/1131407008.db2.gz PWTUQTPDASKZCF-UHFFFAOYSA-N 0 3 280.824 3.716 20 30 CHEDHN C#C[C@@H](C)N(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000769963002 1129932907 /nfs/dbraw/zinc/93/29/07/1129932907.db2.gz OEMNPMBQGMHIRA-OAHLLOKOSA-N 0 3 274.367 3.679 20 30 CHEDHN C#CCCN[C@@H](CC(F)(F)F)c1ccccc1C ZINC000769988828 1129934857 /nfs/dbraw/zinc/93/48/57/1129934857.db2.gz FUBPTFMMOQYUTP-ZDUSSCGKSA-N 0 3 255.283 3.601 20 30 CHEDHN CN(Cc1cc(C#N)cs1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000770349962 1129945548 /nfs/dbraw/zinc/94/55/48/1129945548.db2.gz OQHRVYGYCFDZPY-HZPDHXFCSA-N 0 3 268.385 3.608 20 30 CHEDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2CCO[C@H](C)C#N)o1 ZINC000801925424 1129959963 /nfs/dbraw/zinc/95/99/63/1129959963.db2.gz LXYCPECQFVZJEB-LZWOXQAQSA-N 0 3 290.407 3.544 20 30 CHEDHN CCCCCCCC[C@@H](C)CC(=O)N[C@H]1CCCN(C)C1 ZINC001136709802 1131423712 /nfs/dbraw/zinc/42/37/12/1131423712.db2.gz YJJAWRUPXJBICH-SJORKVTESA-N 0 3 296.499 3.974 20 30 CHEDHN CNc1ccc(C)cc1CN[C@H](C)c1cccc(C#N)c1 ZINC000902289913 1129997427 /nfs/dbraw/zinc/99/74/27/1129997427.db2.gz GVNMAPZAFBXWJH-CQSZACIVSA-N 0 3 279.387 3.759 20 30 CHEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cnc1Cl ZINC000785617101 1130045416 /nfs/dbraw/zinc/04/54/16/1130045416.db2.gz JVMLXPNYMOTFMX-INIZCTEOSA-N 0 3 297.789 3.692 20 30 CHEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C ZINC000785617135 1130045728 /nfs/dbraw/zinc/04/57/28/1130045728.db2.gz ZRGRFQGVMUAGHL-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN CC[C@@H](NCc1ccccc1COC)c1cccc(C#N)c1 ZINC000902733170 1130047762 /nfs/dbraw/zinc/04/77/62/1130047762.db2.gz OBIFBUZFHJLNRP-LJQANCHMSA-N 0 3 294.398 3.946 20 30 CHEDHN CC[C@@H](N[C@H](CCO)c1ccccc1)c1cccc(C#N)c1 ZINC000902814697 1130061790 /nfs/dbraw/zinc/06/17/90/1130061790.db2.gz FVLVDBZEUKCFHE-RTBURBONSA-N 0 3 294.398 3.723 20 30 CHEDHN C=CCN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000785967667 1130070151 /nfs/dbraw/zinc/07/01/51/1130070151.db2.gz DGTVXZJPLHCELE-UHFFFAOYSA-N 0 3 293.410 3.823 20 30 CHEDHN CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1cc(C#N)ccn1 ZINC000902966696 1130092716 /nfs/dbraw/zinc/09/27/16/1130092716.db2.gz HKOYGHZQVZDKPW-ZWNOBZJWSA-N 0 3 285.313 3.581 20 30 CHEDHN CSC1(C(=O)C(C#N)c2nc(C(C)C)cs2)CCC1 ZINC000786442142 1130093517 /nfs/dbraw/zinc/09/35/17/1130093517.db2.gz KHRBYHISEPGNAT-SNVBAGLBSA-N 0 3 294.445 3.728 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1cnn(CC)c1)c1cccc(C#N)c1 ZINC000903011413 1130100453 /nfs/dbraw/zinc/10/04/53/1130100453.db2.gz DZSSNXVROXFRBT-SUMWQHHRSA-N 0 3 282.391 3.577 20 30 CHEDHN CC[C@@H](NCc1cc(C)nc(C)c1)c1cccc(C#N)c1 ZINC000903022347 1130102158 /nfs/dbraw/zinc/10/21/58/1130102158.db2.gz ICZSRJQCVSHPQF-GOSISDBHSA-N 0 3 279.387 3.811 20 30 CHEDHN CC[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cccc(C#N)c1 ZINC000903049756 1130104678 /nfs/dbraw/zinc/10/46/78/1130104678.db2.gz FVILKGBQKGJHCV-OTWHNJEPSA-N 0 3 292.382 3.777 20 30 CHEDHN C=CC[C@H](NCc1cc2ccccc2[nH]1)c1ccncc1 ZINC000788517037 1130192834 /nfs/dbraw/zinc/19/28/34/1130192834.db2.gz YVLIQTKPLVRYNY-KRWDZBQOSA-N 0 3 277.371 3.970 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H](C)[C@H]1CC ZINC001462124065 1130199746 /nfs/dbraw/zinc/19/97/46/1130199746.db2.gz COLAVNIPNCBIRN-CZUORRHYSA-N 0 3 291.822 3.972 20 30 CHEDHN CC(C)CN(CCC#N)CC[C@H](C)OCc1ccccc1 ZINC000789325873 1130243595 /nfs/dbraw/zinc/24/35/95/1130243595.db2.gz JJLUTAVOBTWNJE-KRWDZBQOSA-N 0 3 288.435 3.853 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@H]2CCC[C@H](CC)C2)n1 ZINC000789759202 1130275140 /nfs/dbraw/zinc/27/51/40/1130275140.db2.gz PZWOVEUSJVJDCE-IRXDYDNUSA-N 0 3 287.451 3.555 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@H]2CCCC(C)(C)C2)n1 ZINC000789762022 1130275505 /nfs/dbraw/zinc/27/55/05/1130275505.db2.gz QNWIIFJYMJVHIL-INIZCTEOSA-N 0 3 287.451 3.555 20 30 CHEDHN CC(C)(C/N=C/c1cc(Cl)ccc1[O-])C[NH+]1CCCC1 ZINC000790098318 1130290817 /nfs/dbraw/zinc/29/08/17/1130290817.db2.gz GVHKKVSQMQMRAA-VCHYOVAHSA-N 0 3 294.826 3.587 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN2CCC3(CC3)CC2)cc1 ZINC000677717247 1130323642 /nfs/dbraw/zinc/32/36/42/1130323642.db2.gz DELSLITYPVTWLV-UHFFFAOYSA-N 0 3 293.332 3.933 20 30 CHEDHN C=CCCCNc1ccc(F)c(CN2CCCC2)c1 ZINC001170301707 1130477197 /nfs/dbraw/zinc/47/71/97/1130477197.db2.gz BLQXRCAXTHQVNT-UHFFFAOYSA-N 0 3 262.372 3.800 20 30 CHEDHN CCCC[C@H](CC)COCCCN[C@@H](CC)CC#N ZINC001255155087 1130493153 /nfs/dbraw/zinc/49/31/53/1130493153.db2.gz LGTIXBQDJIAAQB-HOTGVXAUSA-N 0 3 268.445 3.891 20 30 CHEDHN C=C(C)COCCNCc1c(Cl)ccc2cccnc21 ZINC000679720212 1130553358 /nfs/dbraw/zinc/55/33/58/1130553358.db2.gz RZWBHKXSUZPYRJ-UHFFFAOYSA-N 0 3 290.794 3.571 20 30 CHEDHN C#CCN(CC)C/C(C)=C/c1ccccc1OC(F)F ZINC000811457365 1130610004 /nfs/dbraw/zinc/61/00/04/1130610004.db2.gz BABHQBJJSZODMR-ACCUITESSA-N 0 3 279.330 3.646 20 30 CHEDHN C=CC[C@H](C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811479777 1130614153 /nfs/dbraw/zinc/61/41/53/1130614153.db2.gz LNZKCKRKCXDRAI-QMMMGPOBSA-N 0 3 289.162 3.956 20 30 CHEDHN C#C[C@H](N[C@H](C)CC1(OC)CCC1)c1ccc(Cl)cc1 ZINC000811516696 1130615496 /nfs/dbraw/zinc/61/54/96/1130615496.db2.gz TWNZZYOGHXGXFX-CJNGLKHVSA-N 0 3 291.822 3.952 20 30 CHEDHN C#C[C@H](N[C@@H](C)Cc1cccs1)c1ccc(F)cc1 ZINC000812793494 1130716785 /nfs/dbraw/zinc/71/67/85/1130716785.db2.gz WLDIJJPMPWYGPY-LRDDRELGSA-N 0 3 273.376 3.782 20 30 CHEDHN C#C[C@H](NC[C@@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000812793845 1130719056 /nfs/dbraw/zinc/71/90/56/1130719056.db2.gz HIPPLZAZAPHOGS-UHOSZYNNSA-N 0 3 279.358 3.893 20 30 CHEDHN COc1cccc2cc(CN3CCC(CC#N)CC3)oc21 ZINC000781928326 1130750158 /nfs/dbraw/zinc/75/01/58/1130750158.db2.gz XXEHZTZHGFUROX-UHFFFAOYSA-N 0 3 284.359 3.567 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(Cl)nc1N ZINC001235663095 1130762652 /nfs/dbraw/zinc/76/26/52/1130762652.db2.gz QLRDTBJUBNRIOU-UHFFFAOYSA-N 0 3 269.820 3.719 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1cccc(F)c1 ZINC000783262895 1130808158 /nfs/dbraw/zinc/80/81/58/1130808158.db2.gz SCFDRNAVYUBCCW-QGZVFWFLSA-N 0 3 298.361 3.947 20 30 CHEDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(C#N)c1 ZINC000783516273 1130833183 /nfs/dbraw/zinc/83/31/83/1130833183.db2.gz GJYFKLDQFAWNRL-OLZOCXBDSA-N 0 3 266.344 3.676 20 30 CHEDHN C[C@@H](C=Nn1cnnc1-c1ccccc1)Cc1ccccc1 ZINC000783820385 1130856361 /nfs/dbraw/zinc/85/63/61/1130856361.db2.gz DHDUWOGYADCCEY-OAHLLOKOSA-N 0 3 290.370 3.658 20 30 CHEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)ccc1N(C)C ZINC000815009205 1130949891 /nfs/dbraw/zinc/94/98/91/1130949891.db2.gz ALCPFIQIJYEGAF-UHFFFAOYSA-N 0 3 293.414 3.565 20 30 CHEDHN C=CC[C@@H](NCc1ccsc1C)c1ccncc1 ZINC000815124576 1130959930 /nfs/dbraw/zinc/95/99/30/1130959930.db2.gz CYCKGCQBRFJPHM-OAHLLOKOSA-N 0 3 258.390 3.859 20 30 CHEDHN C#C[C@H](N[C@@H](C)c1ccc(F)c2ccccc21)[C@@H]1CCCO1 ZINC000815617565 1131009477 /nfs/dbraw/zinc/00/94/77/1131009477.db2.gz QAUMWNBUXLYMRT-AGRHKRQWSA-N 0 3 297.373 3.810 20 30 CHEDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC001237049444 1131040931 /nfs/dbraw/zinc/04/09/31/1131040931.db2.gz PBDDGMBOHDJPEE-AWEZNQCLSA-N 0 3 272.392 3.641 20 30 CHEDHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC001237049444 1131040941 /nfs/dbraw/zinc/04/09/41/1131040941.db2.gz PBDDGMBOHDJPEE-AWEZNQCLSA-N 0 3 272.392 3.641 20 30 CHEDHN C[C@H]1CC[C@H](N(C)Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237532096 1131110301 /nfs/dbraw/zinc/11/03/01/1131110301.db2.gz TZQFKSGOHPILAM-YEORSEQZSA-N 0 3 278.346 3.847 20 30 CHEDHN CCCCCCCN(CC)Cc1cncn1CC ZINC001237590703 1131117816 /nfs/dbraw/zinc/11/78/16/1131117816.db2.gz NIVUGYMAIBIKEL-UHFFFAOYSA-N 0 3 251.418 3.695 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]3C2)c(Cl)c1 ZINC001238082832 1131167907 /nfs/dbraw/zinc/16/79/07/1131167907.db2.gz NWFRWBJFVOTTMB-KGLIPLIRSA-N 0 3 274.795 3.834 20 30 CHEDHN COC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC001238086102 1131169341 /nfs/dbraw/zinc/16/93/41/1131169341.db2.gz UCJOHEPVVKYXFJ-HNNXBMFYSA-N 0 3 292.810 3.601 20 30 CHEDHN CC(C)N(CCCCCO)Cc1ccc(C#N)cc1Cl ZINC001238084983 1131169654 /nfs/dbraw/zinc/16/96/54/1131169654.db2.gz SGOGSQWNPCBUGK-UHFFFAOYSA-N 0 3 294.826 3.585 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238510714 1131210463 /nfs/dbraw/zinc/21/04/63/1131210463.db2.gz FOWHZRAMJJWYAK-ZDUSSCGKSA-N 0 3 257.352 3.548 20 30 CHEDHN Cc1c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1-c1ccccc1 ZINC000818357181 1131211417 /nfs/dbraw/zinc/21/14/17/1131211417.db2.gz WEGPRYFHTITWLN-CWRNSKLLSA-N 0 3 294.402 3.524 20 30 CHEDHN C#CC[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000829773378 1131432653 /nfs/dbraw/zinc/43/26/53/1131432653.db2.gz DOWPIEPKLFAJTF-LSDHHAIUSA-N 0 3 295.386 3.533 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2ccccc2OC(F)F)C1 ZINC000829774822 1131432664 /nfs/dbraw/zinc/43/26/64/1131432664.db2.gz UOZSRHCRXSOASN-ZDUSSCGKSA-N 0 3 279.330 3.523 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(CCC)cc2)c1 ZINC001202813526 1131442035 /nfs/dbraw/zinc/44/20/35/1131442035.db2.gz VSMINKVQDUDYOM-UHFFFAOYSA-N 0 3 263.384 3.910 20 30 CHEDHN C#CC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000830326314 1131452916 /nfs/dbraw/zinc/45/29/16/1131452916.db2.gz JWNYQSWTJTVAKM-UHFFFAOYSA-N 0 3 292.382 3.719 20 30 CHEDHN Cc1c(CN2CCC[C@@H](C#N)CC2)[nH]c2ccc(F)cc12 ZINC001138413477 1131501608 /nfs/dbraw/zinc/50/16/08/1131501608.db2.gz UFYOFGDZOLZUKE-CYBMUJFWSA-N 0 3 285.366 3.741 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)nc1 ZINC000789519355 1131508749 /nfs/dbraw/zinc/50/87/49/1131508749.db2.gz ZWXQHWGJOKUXTJ-LBPRGKRZSA-N 0 3 285.778 3.652 20 30 CHEDHN C=CCc1cccc(C[NH+]2CCC3(CC(F)C3)CC2)c1[O-] ZINC001138625930 1131528183 /nfs/dbraw/zinc/52/81/83/1131528183.db2.gz XCNQGLBUQAIGPP-UHFFFAOYSA-N 0 3 289.394 3.835 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)CCc2ccc(F)cc2)c1[O-] ZINC001138627771 1131528699 /nfs/dbraw/zinc/52/86/99/1131528699.db2.gz FSGBXJGBIZIFAO-UHFFFAOYSA-N 0 3 299.389 3.934 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)CCc2ccc(F)cc2)c1[O-] ZINC001138627771 1131528702 /nfs/dbraw/zinc/52/87/02/1131528702.db2.gz FSGBXJGBIZIFAO-UHFFFAOYSA-N 0 3 299.389 3.934 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]2C(C)(C)OC)c1[O-] ZINC001138628397 1131529577 /nfs/dbraw/zinc/52/95/77/1131529577.db2.gz UDOZEKXZBCAKKU-MRXNPFEDSA-N 0 3 289.419 3.510 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c1[O-] ZINC001138628397 1131529581 /nfs/dbraw/zinc/52/95/81/1131529581.db2.gz UDOZEKXZBCAKKU-MRXNPFEDSA-N 0 3 289.419 3.510 20 30 CHEDHN C=CCCCC[N@@H+](C)Cc1cccc(CC=C)c1[O-] ZINC001138630397 1131530236 /nfs/dbraw/zinc/53/02/36/1131530236.db2.gz VZZBCWMDRBRGKT-UHFFFAOYSA-N 0 3 259.393 3.909 20 30 CHEDHN C=CCCCC[N@H+](C)Cc1cccc(CC=C)c1[O-] ZINC001138630397 1131530243 /nfs/dbraw/zinc/53/02/43/1131530243.db2.gz VZZBCWMDRBRGKT-UHFFFAOYSA-N 0 3 259.393 3.909 20 30 CHEDHN C=CCc1cccc(C[NH+]2CCC(C)(C)CC2)c1[O-] ZINC001138629328 1131530318 /nfs/dbraw/zinc/53/03/18/1131530318.db2.gz UWIZOWNEMFASQL-UHFFFAOYSA-N 0 3 259.393 3.743 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000844441685 1131566038 /nfs/dbraw/zinc/56/60/38/1131566038.db2.gz QXDLDNAYKYTCEC-IUODEOHRSA-N 0 3 276.330 3.740 20 30 CHEDHN CC(C)Oc1cccc(CN2CCC[C@H](C#N)CC2)c1 ZINC001138986849 1131568454 /nfs/dbraw/zinc/56/84/54/1131568454.db2.gz ZKGAZXYHFDQGNB-HNNXBMFYSA-N 0 3 272.392 3.599 20 30 CHEDHN C=CCOc1ccccc1CN1CC2CCC(CC2)C1 ZINC001139030362 1131574949 /nfs/dbraw/zinc/57/49/49/1131574949.db2.gz KUBCHHNWUSEUAQ-UHFFFAOYSA-N 0 3 271.404 3.873 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc(C#N)cn1 ZINC001144160729 1131593543 /nfs/dbraw/zinc/59/35/43/1131593543.db2.gz SWPBDQVMEZZFDJ-UHFFFAOYSA-N 0 3 259.397 3.746 20 30 CHEDHN CCCCCCCCN(C)Cc1cnc(N)s1 ZINC001139228989 1131599221 /nfs/dbraw/zinc/59/92/21/1131599221.db2.gz SCZNGBISUIZWQJ-UHFFFAOYSA-N 0 3 255.431 3.518 20 30 CHEDHN CCCCCCCC[N@H+](C)Cc1ccc([O-])cn1 ZINC001144259710 1131606376 /nfs/dbraw/zinc/60/63/76/1131606376.db2.gz VODRHPSSMIXKDN-UHFFFAOYSA-N 0 3 250.386 3.580 20 30 CHEDHN CCCCCCCC[N@@H+](C)Cc1ccc([O-])cn1 ZINC001144259710 1131606379 /nfs/dbraw/zinc/60/63/79/1131606379.db2.gz VODRHPSSMIXKDN-UHFFFAOYSA-N 0 3 250.386 3.580 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(OC)c(C(C)C)c1 ZINC001139621122 1131623845 /nfs/dbraw/zinc/62/38/45/1131623845.db2.gz HCIBDSYDRMLIAT-UHFFFAOYSA-N 0 3 259.393 3.993 20 30 CHEDHN CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1CC ZINC001139624165 1131624256 /nfs/dbraw/zinc/62/42/56/1131624256.db2.gz SKLMBGNFESNOOW-OAHLLOKOSA-N 0 3 286.419 3.773 20 30 CHEDHN N#Cc1cccc2c(CN3CCC[C@@H](C(F)F)C3)c[nH]c21 ZINC001139703386 1131630068 /nfs/dbraw/zinc/63/00/68/1131630068.db2.gz PMQKXBVAGDJWMW-GFCCVEGCSA-N 0 3 289.329 3.517 20 30 CHEDHN CN(Cc1c[nH]c2c1cccc2C#N)Cc1cccc(F)c1 ZINC001139701642 1131630352 /nfs/dbraw/zinc/63/03/52/1131630352.db2.gz NGAIMJSORVPKHJ-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN Cc1ccc(CN2CCC3(CC(F)(F)C3)CC2)cc1C#N ZINC001139722863 1131631924 /nfs/dbraw/zinc/63/19/24/1131631924.db2.gz JQTRGBXKPADENM-UHFFFAOYSA-N 0 3 290.357 3.878 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2cnn(C)c2c1 ZINC001139907317 1131649954 /nfs/dbraw/zinc/64/99/54/1131649954.db2.gz FQDFVAGLRBZIHV-UHFFFAOYSA-N 0 3 291.398 3.762 20 30 CHEDHN Cc1cccc2c1CN([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171203655 1131673284 /nfs/dbraw/zinc/67/32/84/1131673284.db2.gz OITVQLIZSMOFMY-HNNXBMFYSA-N 0 3 276.383 3.814 20 30 CHEDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(C#N)c1 ZINC000834612468 1131687569 /nfs/dbraw/zinc/68/75/69/1131687569.db2.gz TYJMRSKRHUPJDN-MLGOLLRUSA-N 0 3 278.355 3.602 20 30 CHEDHN C#CC[C@@H](N[C@@H](CC)c1ccncc1)c1ccccc1 ZINC000834692476 1131694045 /nfs/dbraw/zinc/69/40/45/1131694045.db2.gz CBTOANHEYUQARY-ZWKOTPCHSA-N 0 3 264.372 3.887 20 30 CHEDHN C=CCN(CC=C)Cc1cccc(-c2nccs2)c1 ZINC001140337356 1131702617 /nfs/dbraw/zinc/70/26/17/1131702617.db2.gz LEQTYQJSTBDOAQ-UHFFFAOYSA-N 0 3 270.401 3.984 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834787007 1131705563 /nfs/dbraw/zinc/70/55/63/1131705563.db2.gz GBPFJEZJTSOPJY-IRXDYDNUSA-N 0 3 290.366 3.528 20 30 CHEDHN CCCCCCCCC/C=C/C(=O)N[C@H]1CCCN(C)C1 ZINC001144808428 1131709922 /nfs/dbraw/zinc/70/99/22/1131709922.db2.gz VOTIQHQJEVILJF-WKOYGUFESA-N 0 3 294.483 3.894 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000834901629 1131725594 /nfs/dbraw/zinc/72/55/94/1131725594.db2.gz AQIYUVBIULDACV-CQSZACIVSA-N 0 3 295.382 3.536 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccccc2-c2nccs2)C1 ZINC001140453858 1131744419 /nfs/dbraw/zinc/74/44/19/1131744419.db2.gz OAACNUZBBGLNRU-CQSZACIVSA-N 0 3 297.427 3.936 20 30 CHEDHN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3o2)CC=CCC1 ZINC000835076342 1131768032 /nfs/dbraw/zinc/76/80/32/1131768032.db2.gz HQQMJCFJRWUHKV-YVEFUNNKSA-N 0 3 280.327 3.750 20 30 CHEDHN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077688 1131769101 /nfs/dbraw/zinc/76/91/01/1131769101.db2.gz VSWICFMOZHRSAQ-UPJWGTAASA-N 0 3 282.343 3.830 20 30 CHEDHN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077500 1131769974 /nfs/dbraw/zinc/76/99/74/1131769974.db2.gz UPCQZOGXNREYKR-UPJWGTAASA-N 0 3 282.343 3.686 20 30 CHEDHN CC(C)N(Cc1cc(C#N)ccc1Cl)CC1CC1 ZINC001140601381 1131823711 /nfs/dbraw/zinc/82/37/11/1131823711.db2.gz PZQYCYLZYMVXJY-UHFFFAOYSA-N 0 3 262.784 3.832 20 30 CHEDHN CC(C)[C@@H]1CCCN1Cc1cc(C#N)ccc1Cl ZINC001140603977 1131824603 /nfs/dbraw/zinc/82/46/03/1131824603.db2.gz LPNXLXHGHFOTGM-HNNXBMFYSA-N 0 3 262.784 3.832 20 30 CHEDHN CC(C)[C@H]1CCCN1Cc1cc(C#N)ccc1Cl ZINC001140603978 1131824679 /nfs/dbraw/zinc/82/46/79/1131824679.db2.gz LPNXLXHGHFOTGM-OAHLLOKOSA-N 0 3 262.784 3.832 20 30 CHEDHN C#CC1CCN(Cc2c(Cl)ncc3ccccc32)CC1 ZINC001140723780 1131896727 /nfs/dbraw/zinc/89/67/27/1131896727.db2.gz IMFDPNVCVWYXEI-UHFFFAOYSA-N 0 3 284.790 3.733 20 30 CHEDHN CN(CCc1cccs1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754429 1131907898 /nfs/dbraw/zinc/90/78/98/1131907898.db2.gz ZJPVNOANBJAAJS-UHFFFAOYSA-N 0 3 292.354 3.572 20 30 CHEDHN CN1CC[C@H](Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228560904 1131910890 /nfs/dbraw/zinc/91/08/90/1131910890.db2.gz FBBREUAWOANGCE-KRWDZBQOSA-N 0 3 280.371 3.520 20 30 CHEDHN N#Cc1cccc(CN2CCCCCCC2)c1Cl ZINC001140809714 1131931867 /nfs/dbraw/zinc/93/18/67/1131931867.db2.gz DKBNNESLBQGFDI-UHFFFAOYSA-N 0 3 262.784 3.978 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000773060004 1131932152 /nfs/dbraw/zinc/93/21/52/1131932152.db2.gz OUZWHZIKABDJRJ-SOUVJXGZSA-N 0 3 284.407 3.519 20 30 CHEDHN C=CCCCCN(C)Cc1cnccc1C(F)(F)F ZINC001140919801 1131963539 /nfs/dbraw/zinc/96/35/39/1131963539.db2.gz DQPBMECQUUAKJN-UHFFFAOYSA-N 0 3 272.314 3.889 20 30 CHEDHN Cc1cccc2c1CC[C@H](NCC1(C#N)CCCC1)C2 ZINC001171549078 1132051160 /nfs/dbraw/zinc/05/11/60/1132051160.db2.gz JDCNZJVSFLHGMA-INIZCTEOSA-N 0 3 268.404 3.526 20 30 CHEDHN Cc1cc(CN2CCC(S)CC2)ccc1Cl ZINC001141236673 1132054614 /nfs/dbraw/zinc/05/46/14/1132054614.db2.gz XUUUTAWBPIIOGG-UHFFFAOYSA-N 0 3 255.814 3.543 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC001171841755 1132106868 /nfs/dbraw/zinc/10/68/68/1132106868.db2.gz SEKCJVDTCOSTPF-LBPRGKRZSA-N 0 3 251.320 3.753 20 30 CHEDHN C[C@@H](Oc1ccccc1CN(C)C)c1ccccc1C#N ZINC001229701970 1132107552 /nfs/dbraw/zinc/10/75/52/1132107552.db2.gz NCESOIHMTLMYEO-CQSZACIVSA-N 0 3 280.371 3.760 20 30 CHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@H]1c1nccs1 ZINC001172319261 1132158342 /nfs/dbraw/zinc/15/83/42/1132158342.db2.gz LWBXRPKLYWCHCC-CJNGLKHVSA-N 0 3 297.427 3.783 20 30 CHEDHN C[C@H](CCCC#N)NCc1cc(F)ccc1Br ZINC001172482249 1132229581 /nfs/dbraw/zinc/22/95/81/1132229581.db2.gz DBKLDANYPKZHGS-SNVBAGLBSA-N 0 3 299.187 3.760 20 30 CHEDHN COc1cccc(-c2nc(CN[C@H](C)CCCC#N)co2)c1 ZINC001172490595 1132246637 /nfs/dbraw/zinc/24/66/37/1132246637.db2.gz ILADEDPZRYHOJB-CYBMUJFWSA-N 0 3 299.374 3.522 20 30 CHEDHN C[C@H](CCCC#N)N1CCSC[C@H]1c1ccc(F)cc1 ZINC001172499558 1132249804 /nfs/dbraw/zinc/24/98/04/1132249804.db2.gz DUGWOELMOUCIRR-CJNGLKHVSA-N 0 3 292.423 3.998 20 30 CHEDHN CCCCCCC[C@@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172501665 1132251809 /nfs/dbraw/zinc/25/18/09/1132251809.db2.gz JGRWZORHOHYBON-HZPDHXFCSA-N 0 3 295.471 3.617 20 30 CHEDHN CN1CCC[C@@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231200010 1132271067 /nfs/dbraw/zinc/27/10/67/1132271067.db2.gz IZTYKIAVELXKIY-YFQSIASUSA-N 0 3 294.398 3.910 20 30 CHEDHN C=CCN(Cc1cc(Br)c[nH]1)C(C)(C)C ZINC001231580932 1132317020 /nfs/dbraw/zinc/31/70/20/1132317020.db2.gz VHGKOIWTFGFRPE-UHFFFAOYSA-N 0 3 271.202 3.564 20 30 CHEDHN N#C[C@@H]1CCN(C2CCC(Cc3ccccc3)CC2)C1 ZINC001172824560 1132322148 /nfs/dbraw/zinc/32/21/48/1132322148.db2.gz BLQXKWGUSZJLES-ADKAHSJRSA-N 0 3 268.404 3.633 20 30 CHEDHN C#Cc1cccc(CN2CCc3ccc(C)cc3C2)c1 ZINC001231655714 1132336701 /nfs/dbraw/zinc/33/67/01/1132336701.db2.gz BIOXGLXIRMFHES-UHFFFAOYSA-N 0 3 261.368 3.535 20 30 CHEDHN C#Cc1cccc(CN2CCC(F)(F)C(C)(C)C2)c1 ZINC001231656225 1132336790 /nfs/dbraw/zinc/33/67/90/1132336790.db2.gz GULNETOKIAYWTR-UHFFFAOYSA-N 0 3 263.331 3.535 20 30 CHEDHN C=CCN(C)Cc1ccc(OC(C)C)c(Br)c1 ZINC001231725928 1132345868 /nfs/dbraw/zinc/34/58/68/1132345868.db2.gz QDLRMMLTUMUSSY-UHFFFAOYSA-N 0 3 298.224 3.854 20 30 CHEDHN CCCCCCCN(CC)Cc1cnc(Cl)nc1NC ZINC001142488535 1132401333 /nfs/dbraw/zinc/40/13/33/1132401333.db2.gz MEVQZFCROBUCTH-UHFFFAOYSA-N 0 3 298.862 3.964 20 30 CHEDHN SC1CCN(Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001231981022 1132405352 /nfs/dbraw/zinc/40/53/52/1132405352.db2.gz IEBKTIPTSFPCDD-UHFFFAOYSA-N 0 3 292.835 3.782 20 30 CHEDHN C=CCN(CC=C)Cc1ccnc2c(F)cccc12 ZINC001232211811 1132436436 /nfs/dbraw/zinc/43/64/36/1132436436.db2.gz KQLHQUQZMPDLHU-UHFFFAOYSA-N 0 3 256.324 3.548 20 30 CHEDHN CCCCCCCC[C@H](CCC)n1cc(CN)cnc1=N ZINC001173308902 1132449582 /nfs/dbraw/zinc/44/95/82/1132449582.db2.gz DJIOQJNSGUZNBF-INIZCTEOSA-N 0 3 292.471 3.913 20 30 CHEDHN C=C(C)CCNCc1cc(Br)cnc1Cl ZINC000842708952 1132453155 /nfs/dbraw/zinc/45/31/55/1132453155.db2.gz RDSSRRISAXVXRI-UHFFFAOYSA-N 0 3 289.604 3.553 20 30 CHEDHN N#CCC1CCC(N2CCOC[C@@H]2c2ccccc2)CC1 ZINC001173332303 1132465146 /nfs/dbraw/zinc/46/51/46/1132465146.db2.gz ZBUMFPAIFROXSJ-VMWRSERWSA-N 0 3 284.403 3.532 20 30 CHEDHN N#CCC1CCC(N2CCC[C@@H]2c2nccs2)CC1 ZINC001173337213 1132465883 /nfs/dbraw/zinc/46/58/83/1132465883.db2.gz BMLLCTGOGBZOAO-JXQTWKCFSA-N 0 3 275.421 3.752 20 30 CHEDHN C=CCOC1CCC(N2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001173320170 1132478482 /nfs/dbraw/zinc/47/84/82/1132478482.db2.gz CDBBSETWJAOPSU-RUXDESIVSA-N 0 3 291.357 3.569 20 30 CHEDHN N#Cc1ccc2c(CN3CC[C@@H]3c3ccccc3)c[nH]c2c1 ZINC001142922797 1132479085 /nfs/dbraw/zinc/47/90/85/1132479085.db2.gz WGNJEPKEKDDEAH-LJQANCHMSA-N 0 3 287.366 3.987 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc(C2CC2)cs1)c1ccco1 ZINC000842940532 1132481077 /nfs/dbraw/zinc/48/10/77/1132481077.db2.gz GBYWXSSASSTVQC-ONGXEEELSA-N 0 3 286.356 3.593 20 30 CHEDHN CC1(C#N)CCC(NCc2c(F)ccc(F)c2F)CC1 ZINC001173584988 1132495849 /nfs/dbraw/zinc/49/58/49/1132495849.db2.gz UZZFPFOJUPPWNB-UHFFFAOYSA-N 0 3 282.309 3.666 20 30 CHEDHN Cc1cc(C#N)cc(Nc2ccccc2CN(C)C)c1 ZINC001173930829 1132644479 /nfs/dbraw/zinc/64/44/79/1132644479.db2.gz AKDZCWHRRUPGDU-UHFFFAOYSA-N 0 3 265.360 3.672 20 30 CHEDHN Cc1cc(Nc2sc3ccccc3c2C#N)ccn1 ZINC001174653093 1132950782 /nfs/dbraw/zinc/95/07/82/1132950782.db2.gz LIQFKXCJDRYTEA-UHFFFAOYSA-N 0 3 265.341 3.642 20 30 CHEDHN C=CCN1CCC[C@@H]1c1ccc(NC(C)=CC(C)=O)cc1 ZINC001163742461 1133170166 /nfs/dbraw/zinc/17/01/66/1133170166.db2.gz IEWZXPQCZLWKTO-SWNWVQGVSA-N 0 3 284.403 3.914 20 30 CHEDHN C#CCC1(NCc2ccn(-c3ccccc3)n2)CCCCC1 ZINC001203810632 1133372181 /nfs/dbraw/zinc/37/21/81/1133372181.db2.gz VSKPRNJXQSLBFS-UHFFFAOYSA-N 0 3 293.414 3.688 20 30 CHEDHN COc1cccc([C@H]2CCN(Cc3ccccc3C#N)C2)c1 ZINC001204372447 1133441805 /nfs/dbraw/zinc/44/18/05/1133441805.db2.gz DZCDJFFRLAWEBI-SFHVURJKSA-N 0 3 292.382 3.556 20 30 CHEDHN CC[C@H]1CCC[C@@H]1CNCc1cccc(F)c1C#N ZINC001205858970 1133623531 /nfs/dbraw/zinc/62/35/31/1133623531.db2.gz FZSRHRBKONNKRF-QWHCGFSZSA-N 0 3 260.356 3.613 20 30 CHEDHN C#C[C@H](NCc1cn(CC)nc1-c1ccccc1)C(C)(C)C ZINC001206077612 1133653936 /nfs/dbraw/zinc/65/39/36/1133653936.db2.gz LODZVPIAOCTOLO-KRWDZBQOSA-N 0 3 295.430 3.708 20 30 CHEDHN C=C(CN1CCCC1)c1nc(-c2cccc3occc32)no1 ZINC001206100694 1133657752 /nfs/dbraw/zinc/65/77/52/1133657752.db2.gz SCTXFEZSMKLZBT-UHFFFAOYSA-N 0 3 295.342 3.592 20 30 CHEDHN CCCCCCCC[C@H](C)OCCCN1CCN(C)CC1 ZINC001206591200 1133723678 /nfs/dbraw/zinc/72/36/78/1133723678.db2.gz QUGDBOXTAVDVQF-SFHVURJKSA-N 0 3 298.515 3.780 20 30 CHEDHN Cn1cc(CN2CC[C@H](c3ccccc3Cl)C2)cc1C#N ZINC001207105998 1133766971 /nfs/dbraw/zinc/76/69/71/1133766971.db2.gz CGFWYVQUIJEKIC-AWEZNQCLSA-N 0 3 299.805 3.540 20 30 CHEDHN FC(F)c1cccc(CN2CCC(S)CC2)c1 ZINC001207133639 1133770615 /nfs/dbraw/zinc/77/06/15/1133770615.db2.gz SMIBVFFOEQOBFK-UHFFFAOYSA-N 0 3 257.349 3.518 20 30 CHEDHN Cc1ccc(Cl)cc1CNCc1ccc(C#N)c(F)c1 ZINC001207728757 1133842953 /nfs/dbraw/zinc/84/29/53/1133842953.db2.gz KMGZYPYPDXBJCA-UHFFFAOYSA-N 0 3 288.753 3.949 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](CO)c1cc(F)ccc1F ZINC001207793189 1133847199 /nfs/dbraw/zinc/84/71/99/1133847199.db2.gz DGOUPTPNJMTDCS-LRDDRELGSA-N 0 3 283.362 3.723 20 30 CHEDHN C=CCCCCCCCCCN1CC[C@@](F)(CO)C1 ZINC001207897028 1133857857 /nfs/dbraw/zinc/85/78/57/1133857857.db2.gz ZDFXBHTWOWGZIM-INIZCTEOSA-N 0 3 271.420 3.700 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(CCCC1CCCC1)C2 ZINC001208087272 1133875139 /nfs/dbraw/zinc/87/51/39/1133875139.db2.gz FBHDCMXHLYKJSN-UHFFFAOYSA-N 0 3 268.404 3.887 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN(C)Cc2ccncc2)CC1 ZINC001208171448 1133897505 /nfs/dbraw/zinc/89/75/05/1133897505.db2.gz UAYJAJWNRCGHSQ-QGZVFWFLSA-N 0 3 256.393 3.816 20 30 CHEDHN CN1CC=C(Nc2ccccc2-c2ccc(C#N)cc2)CC1 ZINC001208930783 1133962789 /nfs/dbraw/zinc/96/27/89/1133962789.db2.gz UPINCJMIECVPKT-UHFFFAOYSA-N 0 3 289.382 3.857 20 30 CHEDHN CCN(CCc1ccc(C#N)cc1)Cc1ccccc1F ZINC001208928057 1133964048 /nfs/dbraw/zinc/96/40/48/1133964048.db2.gz SDNADVJJPRZKPP-UHFFFAOYSA-N 0 3 282.362 3.762 20 30 CHEDHN C=CCCCN1CCSC[C@@H]1c1ccc(F)cc1 ZINC001209160268 1133982602 /nfs/dbraw/zinc/98/26/02/1133982602.db2.gz MKHXPZMPMZHASV-OAHLLOKOSA-N 0 3 265.397 3.882 20 30 CHEDHN C=CCCCCN1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001209208663 1133989188 /nfs/dbraw/zinc/98/91/88/1133989188.db2.gz WWNNDVTWJLEZMC-INIZCTEOSA-N 0 3 290.426 3.861 20 30 CHEDHN C#C[C@@H]1CCCN(CCc2ccccc2C(F)(F)F)C1 ZINC001209284528 1134001934 /nfs/dbraw/zinc/00/19/34/1134001934.db2.gz UZXGKJJZZFGXMC-CYBMUJFWSA-N 0 3 281.321 3.593 20 30 CHEDHN C=CCCCCCN1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001209433412 1134019199 /nfs/dbraw/zinc/01/91/99/1134019199.db2.gz VUMRQIYFBUHGLI-KRWDZBQOSA-N 0 3 286.419 3.836 20 30 CHEDHN C=CCCCCCCN1CCN(c2cccc(O)c2)CC1 ZINC001209440856 1134021768 /nfs/dbraw/zinc/02/17/68/1134021768.db2.gz QDRTVYHODWERTO-UHFFFAOYSA-N 0 3 288.435 3.651 20 30 CHEDHN Cc1nc2ccc(Nc3cc(F)c(C)cc3C#N)cc2[nH]1 ZINC001213077136 1134422411 /nfs/dbraw/zinc/42/24/11/1134422411.db2.gz HPVWIYMLCYQELV-UHFFFAOYSA-N 0 3 280.306 3.934 20 30 CHEDHN C=C(CO[C@@H]1CNCc2ccccc21)c1ccccc1 ZINC001217942138 1135028748 /nfs/dbraw/zinc/02/87/48/1135028748.db2.gz WEPHMINLQQTHGF-GOSISDBHSA-N 0 3 265.356 3.561 20 30 CHEDHN C=C(C)Cc1ccc(C(=O)Nc2cccc3c2CNC3)cc1 ZINC001218994050 1135124936 /nfs/dbraw/zinc/12/49/36/1135124936.db2.gz YIXJCQVXJAPYBT-UHFFFAOYSA-N 0 3 292.382 3.661 20 30 CHEDHN C=CCCCCCCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224359839 1135442738 /nfs/dbraw/zinc/44/27/38/1135442738.db2.gz GQFGQNSXRVIUAL-IYARVYRRSA-N 0 3 295.467 3.783 20 30 CHEDHN CN(Cc1ccc(F)cc1C#N)C1CCC(F)(F)CC1 ZINC000347613201 529988102 /nfs/dbraw/zinc/98/81/02/529988102.db2.gz GVLJOVKCKBGRSR-UHFFFAOYSA-N 0 3 282.309 3.707 20 30 CHEDHN C[C@@H](CCc1ccc(Cl)s1)NCC1(C#N)CC1 ZINC000574133404 334994693 /nfs/dbraw/zinc/99/46/93/334994693.db2.gz XAALREUJEJXGNE-JTQLQIEISA-N 0 3 268.813 3.616 20 30 CHEDHN CC(C)CC[C@H](NCc1nc(C#N)cs1)C(C)(C)C ZINC000574202663 335000410 /nfs/dbraw/zinc/00/04/10/335000410.db2.gz HPCCFKXWNCUSQW-ZDUSSCGKSA-N 0 3 279.453 3.955 20 30 CHEDHN CCCN(Cc1ccc(C)cc1)Cc1ccc(C#N)cn1 ZINC000574530275 335027536 /nfs/dbraw/zinc/02/75/36/335027536.db2.gz WERUTCRHJPTBLI-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000334831884 533110970 /nfs/dbraw/zinc/11/09/70/533110970.db2.gz IGKHVWVHAWQOCS-SUMWQHHRSA-N 0 3 278.355 3.663 20 30 CHEDHN C=CCN(CCc1scnc1C)CCc1ccccc1 ZINC000172530439 260015306 /nfs/dbraw/zinc/01/53/06/260015306.db2.gz NRFZUGRATFSAJN-UHFFFAOYSA-N 0 3 286.444 3.725 20 30 CHEDHN C=CCN(CCc1cccc(C)n1)Cc1ccccc1 ZINC000575056025 335059978 /nfs/dbraw/zinc/05/99/78/335059978.db2.gz PUHFNCVPQITFPT-UHFFFAOYSA-N 0 3 266.388 3.621 20 30 CHEDHN C=C(C)[C@@H](NCC1CCOCC1)c1ccc(F)c(F)c1 ZINC000187371746 260033329 /nfs/dbraw/zinc/03/33/29/260033329.db2.gz ZQZVXTLUZAJVTH-MRXNPFEDSA-N 0 3 281.346 3.598 20 30 CHEDHN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1cccc(C#N)c1 ZINC000344340157 533537694 /nfs/dbraw/zinc/53/76/94/533537694.db2.gz XUTSNPZURRYRBD-ACJLOTCBSA-N 0 3 277.371 3.755 20 30 CHEDHN C=C(CC)CN[C@@H]1CCOc2c(Br)cccc21 ZINC000337372365 262448401 /nfs/dbraw/zinc/44/84/01/262448401.db2.gz PFARHTXYQFUDQT-CYBMUJFWSA-N 0 3 296.208 3.829 20 30 CHEDHN C[C@@H](NCc1cccs1)c1ccc(OCC#N)cc1 ZINC000037231931 173050806 /nfs/dbraw/zinc/05/08/06/173050806.db2.gz YYFMWJVQVYWGKL-GFCCVEGCSA-N 0 3 272.373 3.501 20 30 CHEDHN COCc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000038010751 173977863 /nfs/dbraw/zinc/97/78/63/173977863.db2.gz CIRJTTKCADLZLR-CQSZACIVSA-N 0 3 280.371 3.555 20 30 CHEDHN C=CCOCCN[C@@H](CC(F)(F)F)c1ccccc1C ZINC000339128862 262600757 /nfs/dbraw/zinc/60/07/57/262600757.db2.gz BNFRBLYKTRGCNG-AWEZNQCLSA-N 0 3 287.325 3.781 20 30 CHEDHN C[C@H](NCCCC1CCOCC1)c1ccc(C#N)cc1F ZINC000347473705 226176449 /nfs/dbraw/zinc/17/64/49/226176449.db2.gz UGBNPDYEVSIYAL-ZDUSSCGKSA-N 0 3 290.382 3.555 20 30 CHEDHN N#Cc1ccc(CN(C2CC2)[C@H]2C=CCCC2)cc1 ZINC000171735258 335076587 /nfs/dbraw/zinc/07/65/87/335076587.db2.gz OQXYSVFTEIDJLW-INIZCTEOSA-N 0 3 252.361 3.631 20 30 CHEDHN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccc(C#N)cc1F ZINC000353988361 227082965 /nfs/dbraw/zinc/08/29/65/227082965.db2.gz VCMJGEVBXSKSGB-SECBINFHSA-N 0 3 286.272 3.690 20 30 CHEDHN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CCCSCC#N ZINC000354827165 227144120 /nfs/dbraw/zinc/14/41/20/227144120.db2.gz GNLNBFZSUDDDFZ-QWHCGFSZSA-N 0 3 292.423 3.780 20 30 CHEDHN N#Cc1ccc(CNCCc2ccco2)c(C(F)(F)F)c1 ZINC000352856508 227340987 /nfs/dbraw/zinc/34/09/87/227340987.db2.gz XGIZMZGOVNSGHZ-UHFFFAOYSA-N 0 3 294.276 3.502 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3occc31)CC2 ZINC000353429142 228100491 /nfs/dbraw/zinc/10/04/91/228100491.db2.gz SGZISUHIPPELQW-SJORKVTESA-N 0 3 278.355 3.806 20 30 CHEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000336183006 228208278 /nfs/dbraw/zinc/20/82/78/228208278.db2.gz QQABXEANIGYDSB-FZMZJTMJSA-N 0 3 276.767 3.553 20 30 CHEDHN N#C[C@H]1CC[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000336170633 228202827 /nfs/dbraw/zinc/20/28/27/228202827.db2.gz TYWFHMLYJAXFKC-WWPFFMJXSA-N 0 3 292.785 3.949 20 30 CHEDHN C=C(C)[C@@H](NCCCCOC)c1ccc(F)c(F)c1 ZINC000187777269 260056149 /nfs/dbraw/zinc/05/61/49/260056149.db2.gz MNJAAJZTFSHCDO-OAHLLOKOSA-N 0 3 269.335 3.598 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000037284502 260079568 /nfs/dbraw/zinc/07/95/68/260079568.db2.gz IHFGCHCUKCDRQJ-KGLIPLIRSA-N 0 3 275.355 3.842 20 30 CHEDHN N#Cc1ccc(CNCCSc2ccccc2)c(F)c1 ZINC000037856621 260118689 /nfs/dbraw/zinc/11/86/89/260118689.db2.gz ZUSACJUTLQKGEU-UHFFFAOYSA-N 0 3 286.375 3.579 20 30 CHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000078973134 260172527 /nfs/dbraw/zinc/17/25/27/260172527.db2.gz RWCSLLYRDNBCQS-STQMWFEESA-N 0 3 294.354 3.699 20 30 CHEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccc(C#N)c(F)c2)C1 ZINC000404258348 260177471 /nfs/dbraw/zinc/17/74/71/260177471.db2.gz NHXJMQLZFGMHMY-UPJWGTAASA-N 0 3 260.356 3.564 20 30 CHEDHN Cc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000072659750 260277470 /nfs/dbraw/zinc/27/74/70/260277470.db2.gz MRTKWAAWORMHFS-UHFFFAOYSA-N 0 3 293.414 3.635 20 30 CHEDHN CN(Cc1cccc(C#N)c1F)CC1CCCCC1 ZINC000223516270 260304772 /nfs/dbraw/zinc/30/47/72/260304772.db2.gz KMJKMDSDXNGUTQ-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000090451124 260359799 /nfs/dbraw/zinc/35/97/99/260359799.db2.gz FHSSOGOKQNUVFU-LBPRGKRZSA-N 0 3 285.334 3.531 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC1CCOCC1 ZINC000409447417 260410531 /nfs/dbraw/zinc/41/05/31/260410531.db2.gz QAHLZBTZKRNWED-MOPGFXCFSA-N 0 3 298.430 3.575 20 30 CHEDHN C[C@@H]1CCC[C@@H](NCc2cccc(F)c2C#N)[C@@H]1C ZINC000428426876 260579902 /nfs/dbraw/zinc/57/99/02/260579902.db2.gz PTYPCHJRVVBSGT-XHBSWPGZSA-N 0 3 260.356 3.612 20 30 CHEDHN C=CCC[C@@H](CCC)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427979836 260896151 /nfs/dbraw/zinc/89/61/51/260896151.db2.gz QKLNRJIFVPHIAW-MRXNPFEDSA-N 0 3 286.419 3.882 20 30 CHEDHN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000154334296 261090625 /nfs/dbraw/zinc/09/06/25/261090625.db2.gz GMOFOIBXYXWJOQ-UGSOOPFHSA-N 0 3 292.382 3.905 20 30 CHEDHN N#Cc1ccc(CNCC2(c3ccc(Cl)cc3)CC2)o1 ZINC000174341587 261568128 /nfs/dbraw/zinc/56/81/28/261568128.db2.gz ZMPYCANJAUNJSY-UHFFFAOYSA-N 0 3 286.762 3.626 20 30 CHEDHN C=CCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000117871012 262060052 /nfs/dbraw/zinc/06/00/52/262060052.db2.gz KTEAMZCSTCQRFP-QGZVFWFLSA-N 0 3 252.361 3.727 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(OC3CCCC3)c2)C1 ZINC000185777278 262069818 /nfs/dbraw/zinc/06/98/18/262069818.db2.gz XRHZMBMBUGLKDY-ZBFHGGJFSA-N 0 3 299.418 3.575 20 30 CHEDHN N#CCSCCCN1CCC(c2ccsc2)CC1 ZINC000186926651 262116768 /nfs/dbraw/zinc/11/67/68/262116768.db2.gz FCQQHSUVVRNRJX-UHFFFAOYSA-N 0 3 280.462 3.574 20 30 CHEDHN C=CCN(Cc1cccc(OC)n1)CC1CCCCC1 ZINC000497453535 262163275 /nfs/dbraw/zinc/16/32/75/262163275.db2.gz HFSWANIRBUMFQU-UHFFFAOYSA-N 0 3 274.408 3.659 20 30 CHEDHN CSCc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000193327560 262220594 /nfs/dbraw/zinc/22/05/94/262220594.db2.gz AGGXLCFMYBDCNV-CJNGLKHVSA-N 0 3 274.433 3.722 20 30 CHEDHN COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000194255022 262235257 /nfs/dbraw/zinc/23/52/57/262235257.db2.gz MPYOABQGSQPGLO-RCBQFDQVSA-N 0 3 292.810 3.699 20 30 CHEDHN C=CC[C@@H](C)NCc1cccc(Br)c1OC ZINC000187248036 262393431 /nfs/dbraw/zinc/39/34/31/262393431.db2.gz QNCKKKLDILFSBB-SNVBAGLBSA-N 0 3 284.197 3.512 20 30 CHEDHN CC1(c2ccccc2)CCN(Cc2ccc(C#N)o2)CC1 ZINC000093133759 262785331 /nfs/dbraw/zinc/78/53/31/262785331.db2.gz AQCVPYRNGMUXGZ-UHFFFAOYSA-N 0 3 280.371 3.705 20 30 CHEDHN C[C@@H](NC[C@@H](C)CC(F)(F)F)c1ccc(C#N)cc1F ZINC000414278032 262834735 /nfs/dbraw/zinc/83/47/35/262834735.db2.gz HMFAXVBBJILBBX-VHSXEESVSA-N 0 3 288.288 3.936 20 30 CHEDHN CCc1c(C)nc2ccccc2c1N1CCC(C#N)CC1 ZINC000272249026 263002847 /nfs/dbraw/zinc/00/28/47/263002847.db2.gz SHRCQJGRDDUIBQ-UHFFFAOYSA-N 0 3 279.387 3.846 20 30 CHEDHN C[C@H](CCc1cccc(F)c1)N1CCC(C)(C#N)CC1 ZINC000272816406 263009052 /nfs/dbraw/zinc/00/90/52/263009052.db2.gz BPUBDMRINRFRLQ-CQSZACIVSA-N 0 3 274.383 3.772 20 30 CHEDHN C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1[O-] ZINC000272926774 263010163 /nfs/dbraw/zinc/01/01/63/263010163.db2.gz YYNZJQHWSGLVEW-CYBMUJFWSA-N 0 3 278.355 3.604 20 30 CHEDHN C[C@H](NCCCC#N)c1cc(Cl)c(N)c(Cl)c1 ZINC000273275774 263014597 /nfs/dbraw/zinc/01/45/97/263014597.db2.gz PHRYSMKBNNCSSP-QMMMGPOBSA-N 0 3 272.179 3.530 20 30 CHEDHN CC1(C#N)CCN(CCCCCOc2ccccc2)CC1 ZINC000276222857 263035289 /nfs/dbraw/zinc/03/52/89/263035289.db2.gz MEXXXAOXJHPHFV-UHFFFAOYSA-N 0 3 286.419 3.861 20 30 CHEDHN COc1cc(CN(C)[C@@H](C)CCC#N)ccc1SC ZINC000276272221 263035651 /nfs/dbraw/zinc/03/56/51/263035651.db2.gz DCUHMLZKCOASFO-LBPRGKRZSA-N 0 3 278.421 3.541 20 30 CHEDHN CN(Cc1ccc(OC(F)(F)F)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278701799 263049788 /nfs/dbraw/zinc/04/97/88/263049788.db2.gz SZUMINKAPCOPNS-OLZOCXBDSA-N 0 3 298.308 3.709 20 30 CHEDHN CN(Cc1ccc(OC(F)(F)F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000278701807 263049891 /nfs/dbraw/zinc/04/98/91/263049891.db2.gz SZUMINKAPCOPNS-STQMWFEESA-N 0 3 298.308 3.709 20 30 CHEDHN Cc1cc(Cl)cc(C[NH2+]CC2CCC(C#N)CC2)c1[O-] ZINC000282288868 263075675 /nfs/dbraw/zinc/07/56/75/263075675.db2.gz LOQMXBCRNDSIPN-UHFFFAOYSA-N 0 3 292.810 3.774 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1cc2ccccc2o1 ZINC000282335171 263075907 /nfs/dbraw/zinc/07/59/07/263075907.db2.gz OKPWAGVGGRQWBK-BZPMIXESSA-N 0 3 254.333 3.776 20 30 CHEDHN CC[C@@H](NCCC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000285371625 263092419 /nfs/dbraw/zinc/09/24/19/263092419.db2.gz FYMBFXPHWYJRRA-CQSZACIVSA-N 0 3 290.407 3.684 20 30 CHEDHN Cc1noc(C)c1C(C)(C)NCCCCC(C)(C)C#N ZINC000285486008 263093326 /nfs/dbraw/zinc/09/33/26/263093326.db2.gz BTRVSJKISSMLON-UHFFFAOYSA-N 0 3 277.412 3.836 20 30 CHEDHN Cc1cc2cc(CN[C@H]3CCC[C@@H](C#N)C3)ccc2[nH]1 ZINC000285544548 263094023 /nfs/dbraw/zinc/09/40/23/263094023.db2.gz DMFCSCKJAVVYAW-CJNGLKHVSA-N 0 3 267.376 3.648 20 30 CHEDHN C=CCC[C@@H](N[C@H]1CCCSC1)c1ccco1 ZINC000353519938 263111073 /nfs/dbraw/zinc/11/10/73/263111073.db2.gz NYHYWLGXLCCJJU-QWHCGFSZSA-N 0 3 251.395 3.772 20 30 CHEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1cccs1 ZINC000293668380 263146485 /nfs/dbraw/zinc/14/64/85/263146485.db2.gz UPUQHJCZYYBVHH-YRGRVCCFSA-N 0 3 260.406 3.823 20 30 CHEDHN CC(F)(F)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000293841698 263150975 /nfs/dbraw/zinc/15/09/75/263150975.db2.gz XUHXRUJMCWRMLB-UKRRQHHQSA-N 0 3 278.346 3.970 20 30 CHEDHN Cc1nn(C)cc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340450559 263155066 /nfs/dbraw/zinc/15/50/66/263155066.db2.gz NIXGNQPHIMGUNW-KBXCAEBGSA-N 0 3 296.418 3.814 20 30 CHEDHN COc1cccc(C2CCN([C@H](C)CCC#N)CC2)c1 ZINC000297728768 263208819 /nfs/dbraw/zinc/20/88/19/263208819.db2.gz BWHBUEOVDDLGJG-CQSZACIVSA-N 0 3 272.392 3.567 20 30 CHEDHN C=CCC[C@H](CO)N[C@H](C)c1ccccc1SCC ZINC000453335551 263240421 /nfs/dbraw/zinc/24/04/21/263240421.db2.gz AHNREVQPZKUTRB-ZIAGYGMSSA-N 0 3 279.449 3.776 20 30 CHEDHN C[C@H](CCC#N)N[C@H](C)c1ccccc1OC(F)F ZINC000299696316 263251970 /nfs/dbraw/zinc/25/19/70/263251970.db2.gz OKRPTLPPHHLCRM-GHMZBOCLSA-N 0 3 268.307 3.631 20 30 CHEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(Br)cc1 ZINC000299712768 263252981 /nfs/dbraw/zinc/25/29/81/263252981.db2.gz QSVUDTJPTKMRNN-GHMZBOCLSA-N 0 3 281.197 3.792 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000341448752 263336106 /nfs/dbraw/zinc/33/61/06/263336106.db2.gz DCEOIPIPXHTSPD-ZDUSSCGKSA-N 0 3 287.407 3.587 20 30 CHEDHN C=CCC[C@H](NCCOC)c1ccc(C(F)(F)F)cc1 ZINC000342188140 263397233 /nfs/dbraw/zinc/39/72/33/263397233.db2.gz CPLITNKXVWIDEM-AWEZNQCLSA-N 0 3 287.325 3.949 20 30 CHEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000342765566 263493692 /nfs/dbraw/zinc/49/36/92/263493692.db2.gz PMXUBTAHGVKESY-NVXWUHKLSA-N 0 3 288.435 3.540 20 30 CHEDHN CC1(C)CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000330681208 264003078 /nfs/dbraw/zinc/00/30/78/264003078.db2.gz GGSVTXNPXHKXAV-INIZCTEOSA-N 0 3 298.430 3.844 20 30 CHEDHN C[C@@H]1CCC[C@H](C)[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331358632 264207975 /nfs/dbraw/zinc/20/79/75/264207975.db2.gz VLEWTHWOFZVEAZ-GUYJKWIASA-N 0 3 285.391 3.549 20 30 CHEDHN C=CCC[C@@H](NCc1ccn(C)c1)c1ccccc1 ZINC000160037269 264223253 /nfs/dbraw/zinc/22/32/53/264223253.db2.gz FMLLDTCQIUGZOO-QGZVFWFLSA-N 0 3 254.377 3.822 20 30 CHEDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000189482721 264302650 /nfs/dbraw/zinc/30/26/50/264302650.db2.gz PMAYGJBIQUPHMR-JKSUJKDBSA-N 0 3 292.423 3.851 20 30 CHEDHN C#CCOc1ccc([C@H](C)N[C@H](CC)c2ccncc2)cc1 ZINC000163680446 264360791 /nfs/dbraw/zinc/36/07/91/264360791.db2.gz RVOARVSFMUEFKB-HNAYVOBHSA-N 0 3 294.398 3.896 20 30 CHEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCCC1 ZINC000424995177 265000055 /nfs/dbraw/zinc/00/00/55/265000055.db2.gz KCVCHSDXTKUQBN-QAPCUYQASA-N 0 3 298.430 3.844 20 30 CHEDHN CCC(CC)N(Cc1ccc(F)cc1C#N)C1CC1 ZINC000519194667 265362956 /nfs/dbraw/zinc/36/29/56/265362956.db2.gz HIHKPZPBURMWTA-UHFFFAOYSA-N 0 3 260.356 3.850 20 30 CHEDHN C[C@@H]1CN(c2cccc(Cl)c2)CCN1CCCCC#N ZINC000519742058 265582206 /nfs/dbraw/zinc/58/22/06/265582206.db2.gz QCJDAQSTRVNKRO-CQSZACIVSA-N 0 3 291.826 3.544 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1cccnc1)C1CC1)CC2 ZINC000353260631 266036539 /nfs/dbraw/zinc/03/65/39/266036539.db2.gz FUIVSIABHBQDGQ-RBUKOAKNSA-N 0 3 289.382 3.681 20 30 CHEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)cc(C)c1O ZINC000356446194 266116316 /nfs/dbraw/zinc/11/63/16/266116316.db2.gz LHXSNSUNQGDDRO-UHFFFAOYSA-N 0 3 280.371 3.513 20 30 CHEDHN COC(C)(C)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358570643 266478446 /nfs/dbraw/zinc/47/84/46/266478446.db2.gz NLQWAXXJIFMRPL-VXGBXAGGSA-N 0 3 278.371 3.552 20 30 CHEDHN N#CCCCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000368359464 267165784 /nfs/dbraw/zinc/16/57/84/267165784.db2.gz CWCPGWRYSRIWEV-ZDUSSCGKSA-N 0 3 282.309 3.798 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCOCC2(CCCC2)C1 ZINC000369962842 267279615 /nfs/dbraw/zinc/27/96/15/267279615.db2.gz ACARQHRCNJKTMU-HNNXBMFYSA-N 0 3 284.403 3.512 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000119345684 267323900 /nfs/dbraw/zinc/32/39/00/267323900.db2.gz BVTMJGDUEABZRN-QWRGUYRKSA-N 0 3 273.405 3.739 20 30 CHEDHN N#CCC1(CN[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000370668281 267336671 /nfs/dbraw/zinc/33/66/71/267336671.db2.gz UZBIQIASMVEFPH-AWEZNQCLSA-N 0 3 290.794 3.837 20 30 CHEDHN C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC1(C#N)CCC1 ZINC000418143527 267365000 /nfs/dbraw/zinc/36/50/00/267365000.db2.gz PZVGSJFVQSOSKZ-LBPRGKRZSA-N 0 3 296.336 3.920 20 30 CHEDHN CCc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418137766 267371677 /nfs/dbraw/zinc/37/16/77/267371677.db2.gz CEVBBSDKAOSEED-IBGZPJMESA-N 0 3 291.398 3.683 20 30 CHEDHN COc1ccc(Cl)cc1[C@H](C)NCCCCC#N ZINC000178648664 327795295 /nfs/dbraw/zinc/79/52/95/327795295.db2.gz GYEYLBZZDYXQNA-NSHDSACASA-N 0 3 266.772 3.693 20 30 CHEDHN Cc1c2ccccc2n(C)c1CNCc1ccc(C#N)cc1 ZINC000318585872 327823356 /nfs/dbraw/zinc/82/33/56/327823356.db2.gz DZZJXLAOVSOKDO-UHFFFAOYSA-N 0 3 289.382 3.648 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000185757264 327844706 /nfs/dbraw/zinc/84/47/06/327844706.db2.gz QCMWYVBHDXIUOQ-SMDDNHRTSA-N 0 3 282.309 3.877 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2OCC2CC2)C1 ZINC000185837184 327847113 /nfs/dbraw/zinc/84/71/13/327847113.db2.gz GRSSGHBXEKXXSD-NVXWUHKLSA-N 0 3 284.403 3.647 20 30 CHEDHN N#CCCC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000563069865 327875548 /nfs/dbraw/zinc/87/55/48/327875548.db2.gz ZOYBRLGHAOGURN-KRWDZBQOSA-N 0 3 272.367 3.829 20 30 CHEDHN Cc1cccc2c1CC[C@H]2NCc1cc(C#N)cs1 ZINC000531356120 327901038 /nfs/dbraw/zinc/90/10/38/327901038.db2.gz RSWBYFCEVXLURL-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1CC(C)(C)OC1(C)C ZINC000531714473 328028075 /nfs/dbraw/zinc/02/80/75/328028075.db2.gz WOLRUKUIDRRFQB-MRXNPFEDSA-N 0 3 289.419 3.687 20 30 CHEDHN C=CCN(Cc1cccs1)Cc1ccc2nc[nH]c2c1 ZINC000534334668 328048811 /nfs/dbraw/zinc/04/88/11/328048811.db2.gz GLOKGMSEFYWCCS-UHFFFAOYSA-N 0 3 283.400 3.813 20 30 CHEDHN CC[C@H](CC#N)NC1CCC(C#N)(c2ccccc2)CC1 ZINC000273888125 328207242 /nfs/dbraw/zinc/20/72/42/328207242.db2.gz SMWTVNPFCLWHBX-WWDZGPRUSA-N 0 3 281.403 3.672 20 30 CHEDHN C[C@H](C#N)CN(C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437596527 328209287 /nfs/dbraw/zinc/20/92/87/328209287.db2.gz YXQUSVHONXGTNS-DJIMGWMZSA-N 0 3 256.393 3.588 20 30 CHEDHN C[C@H](CCC#N)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000276355279 328217823 /nfs/dbraw/zinc/21/78/23/328217823.db2.gz XHLSLKVDJYIOKX-LLVKDONJSA-N 0 3 286.297 3.709 20 30 CHEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCC1(F)F ZINC000289949309 328257025 /nfs/dbraw/zinc/25/70/25/328257025.db2.gz VWXRHSWIYONVQD-ZDUSSCGKSA-N 0 3 292.373 3.965 20 30 CHEDHN N#CCC[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000295787724 328287157 /nfs/dbraw/zinc/28/71/57/328287157.db2.gz RWHARSZXQGULAC-DLBZAZTESA-N 0 3 284.403 3.723 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1cccc(F)c1F ZINC000295847824 328287337 /nfs/dbraw/zinc/28/73/37/328287337.db2.gz AUSLMMNXEJQBBZ-WOPDTQHZSA-N 0 3 264.319 3.698 20 30 CHEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000297940133 328295095 /nfs/dbraw/zinc/29/50/95/328295095.db2.gz AIBHGWYNBZTOFC-MNOVXSKESA-N 0 3 286.297 3.928 20 30 CHEDHN C=CCCOCCNCc1ccc(-c2ccc(C)cc2)o1 ZINC000534511406 328305033 /nfs/dbraw/zinc/30/50/33/328305033.db2.gz XXAHWPXKQQNMLO-UHFFFAOYSA-N 0 3 285.387 3.937 20 30 CHEDHN C[C@@H](c1cccs1)N(C)CCOc1ccccc1C#N ZINC000048554223 328312233 /nfs/dbraw/zinc/31/22/33/328312233.db2.gz OFQNAZQMWCZVSM-ZDUSSCGKSA-N 0 3 286.400 3.692 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCN(C)c1ccccc1 ZINC000303720926 328357917 /nfs/dbraw/zinc/35/79/17/328357917.db2.gz RRXHIOJKXRMIQN-INIZCTEOSA-N 0 3 293.414 3.687 20 30 CHEDHN C=CCCCCCN(C)C(=O)Nc1ccccc1CNC ZINC000415915066 328431342 /nfs/dbraw/zinc/43/13/42/328431342.db2.gz XXTWJCYPXLZHRZ-UHFFFAOYSA-N 0 3 289.423 3.616 20 30 CHEDHN C=CCC[C@H](NCCc1ccc2c(c1)OCO2)c1ccco1 ZINC000530558607 326870919 /nfs/dbraw/zinc/87/09/19/326870919.db2.gz VREDFKNXEUIKGV-HNNXBMFYSA-N 0 3 299.370 3.848 20 30 CHEDHN C=CCOc1ccc(CNCCOC(C)(C)CC)cc1 ZINC000308747297 332771890 /nfs/dbraw/zinc/77/18/90/332771890.db2.gz RWAYDRZSLWFOAM-UHFFFAOYSA-N 0 3 277.408 3.546 20 30 CHEDHN C=CCC[C@@H](C)NCc1c(F)cccc1N1CCCC1 ZINC000556911379 326982266 /nfs/dbraw/zinc/98/22/66/326982266.db2.gz CYZXGHWMLJDWKJ-CQSZACIVSA-N 0 3 276.399 3.870 20 30 CHEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCCCC12CCCC2 ZINC000564868667 327038671 /nfs/dbraw/zinc/03/86/71/327038671.db2.gz HSIHFWGQQIIEJU-LSDHHAIUSA-N 0 3 259.397 3.523 20 30 CHEDHN CC(C)CC1(CNCc2ccc(C#N)cc2F)CC1 ZINC000344634545 327047442 /nfs/dbraw/zinc/04/74/42/327047442.db2.gz YOWIEHQMHBNOFP-UHFFFAOYSA-N 0 3 260.356 3.613 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCCOC1CCCCCC1)CC2 ZINC000558492658 327098245 /nfs/dbraw/zinc/09/82/45/327098245.db2.gz FSYZRONQSVARAG-LJQANCHMSA-N 0 3 298.430 3.875 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000558503777 327099439 /nfs/dbraw/zinc/09/94/39/327099439.db2.gz CFMFZGKENOTLSV-ZMYBRWDISA-N 0 3 298.430 3.730 20 30 CHEDHN Cc1cccc(C2(CNC[C@H](C#N)CCC#N)CCCC2)c1 ZINC000558506872 327099729 /nfs/dbraw/zinc/09/97/29/327099729.db2.gz RUTAKCIDIDELMH-KRWDZBQOSA-N 0 3 295.430 3.840 20 30 CHEDHN N#CC1(c2ccccn2)CCN(CCC2CCCCC2)CC1 ZINC000558621459 327109069 /nfs/dbraw/zinc/10/90/69/327109069.db2.gz RFVCKMWHJVCMGE-UHFFFAOYSA-N 0 3 297.446 3.909 20 30 CHEDHN CC[C@H]1c2ccsc2CCN1CCCSCC#N ZINC000074981773 327122618 /nfs/dbraw/zinc/12/26/18/327122618.db2.gz NSWRQEIFAIBTBF-ZDUSSCGKSA-N 0 3 280.462 3.704 20 30 CHEDHN C=C(CC)CNCc1c(C)nn(-c2ccccc2)c1C ZINC000313478817 327133208 /nfs/dbraw/zinc/13/32/08/327133208.db2.gz FXYOHSRARONIAX-UHFFFAOYSA-N 0 3 269.392 3.545 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(C)cc1-c1ccnn1C ZINC000559061811 327139592 /nfs/dbraw/zinc/13/95/92/327139592.db2.gz WAJVOBHBYHMWCN-UHFFFAOYSA-N 0 3 281.403 3.570 20 30 CHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000566183939 327158904 /nfs/dbraw/zinc/15/89/04/327158904.db2.gz FTGFWLMCVBWZBB-UHFFFAOYSA-N 0 3 269.310 3.787 20 30 CHEDHN CC(C)(C#N)CCCN1CCc2cc(F)ccc2C1 ZINC000091896274 327186993 /nfs/dbraw/zinc/18/69/93/327186993.db2.gz JZCFGOWVAYWHGD-UHFFFAOYSA-N 0 3 260.356 3.514 20 30 CHEDHN C[C@H](c1cc(F)ccc1F)N(C)CCCCC#N ZINC000102397593 327226870 /nfs/dbraw/zinc/22/68/70/327226870.db2.gz SMEUQBAZOCJXFM-LLVKDONJSA-N 0 3 252.308 3.651 20 30 CHEDHN N#Cc1cccc(C2(NCCOC3CCCCCC3)CC2)c1 ZINC000560175475 327288167 /nfs/dbraw/zinc/28/81/67/327288167.db2.gz RQDWZDXJFNCVOH-UHFFFAOYSA-N 0 3 298.430 3.876 20 30 CHEDHN C=CCCCCCN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000560170530 327288464 /nfs/dbraw/zinc/28/84/64/327288464.db2.gz NZVVSZBDMROLBA-LJQANCHMSA-N 0 3 286.463 3.592 20 30 CHEDHN C=C(C)COCCNCc1cc(Cl)cc2cccnc21 ZINC000119935000 327296065 /nfs/dbraw/zinc/29/60/65/327296065.db2.gz MGMGUNSTOPNFRO-UHFFFAOYSA-N 0 3 290.794 3.571 20 30 CHEDHN C=CCC[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ccco1 ZINC000560544873 327322434 /nfs/dbraw/zinc/32/24/34/327322434.db2.gz KAKHCJUMCHAETD-JKSUJKDBSA-N 0 3 283.371 3.880 20 30 CHEDHN C/C=C/COc1ccc(CC[C@@H](C)NCC2(C#N)CC2)cc1 ZINC000583418196 327354253 /nfs/dbraw/zinc/35/42/53/327354253.db2.gz VAZYCWUXCKKBON-QDLOVBKTSA-N 0 3 298.430 3.856 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c3c2CCC3)n1 ZINC000583423305 327355974 /nfs/dbraw/zinc/35/59/74/327355974.db2.gz AWSYHXDNRFEDIU-OAHLLOKOSA-N 0 3 296.395 3.739 20 30 CHEDHN C=CCCCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000579198389 327358581 /nfs/dbraw/zinc/35/85/81/327358581.db2.gz VUSBPIKBDHQWRG-UHFFFAOYSA-N 0 3 257.377 3.596 20 30 CHEDHN CC(C)c1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000561018017 327358928 /nfs/dbraw/zinc/35/89/28/327358928.db2.gz QGTCDRPLHXKEHJ-RDJZCZTQSA-N 0 3 256.393 3.934 20 30 CHEDHN C=CCCCCN[C@H](C)c1cc(F)ccc1OC ZINC000562303319 327466285 /nfs/dbraw/zinc/46/62/85/327466285.db2.gz XGQOKNJEMYJPOL-GFCCVEGCSA-N 0 3 251.345 3.841 20 30 CHEDHN C=CCCCCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000570344372 327584272 /nfs/dbraw/zinc/58/42/72/327584272.db2.gz RSFGOFVLJHHIDM-QGZVFWFLSA-N 0 3 288.435 3.542 20 30 CHEDHN COc1cc(CN[C@@H]2CCCc3ccccc32)ccc1C#N ZINC000281703105 327606160 /nfs/dbraw/zinc/60/61/60/327606160.db2.gz NWOKSDINEOJNCW-GOSISDBHSA-N 0 3 292.382 3.734 20 30 CHEDHN N#CCC[C@H](C#N)CNCC1(Cc2ccccc2)CCCC1 ZINC000582199562 328628890 /nfs/dbraw/zinc/62/88/90/328628890.db2.gz GXNVEKMMDFBHLX-GOSISDBHSA-N 0 3 295.430 3.823 20 30 CHEDHN C[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000582578169 329110069 /nfs/dbraw/zinc/11/00/69/329110069.db2.gz RNPVWBFDNAALQG-GHMZBOCLSA-N 0 3 282.309 3.807 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180931762 329224138 /nfs/dbraw/zinc/22/41/38/329224138.db2.gz ZJMZMXAQLBWAAJ-CQSZACIVSA-N 0 3 252.361 3.975 20 30 CHEDHN CC(C)c1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000397230029 329345361 /nfs/dbraw/zinc/34/53/61/329345361.db2.gz PYIPIVIBPPNLIN-UHFFFAOYSA-N 0 3 256.393 3.936 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000583185644 329349994 /nfs/dbraw/zinc/34/99/94/329349994.db2.gz GQIAEAVDNGZORD-VQISRLSMSA-N 0 3 283.774 3.863 20 30 CHEDHN N#CCCN(CCCCc1ccccc1)CC1CC1 ZINC000187113837 329353378 /nfs/dbraw/zinc/35/33/78/329353378.db2.gz LHVAGQCANKUFQN-UHFFFAOYSA-N 0 3 256.393 3.635 20 30 CHEDHN CC(C)N(Cc1ccc(Cl)cc1C#N)C(C)C ZINC000187396526 329357136 /nfs/dbraw/zinc/35/71/36/329357136.db2.gz XXOUDOSXKCCZOK-UHFFFAOYSA-N 0 3 250.773 3.830 20 30 CHEDHN N#CCC[C@H](C#N)CN1CCCC2(CCCCC2)CC1 ZINC000190318706 329394735 /nfs/dbraw/zinc/39/47/35/329394735.db2.gz ITCCMEYXHRVYSW-MRXNPFEDSA-N 0 3 273.424 3.866 20 30 CHEDHN C=C(C)[C@@H](NCCCCF)c1ccc(F)c(F)c1 ZINC000509133952 332859843 /nfs/dbraw/zinc/85/98/43/332859843.db2.gz CGYOJETWEGBBDN-CQSZACIVSA-N 0 3 257.299 3.921 20 30 CHEDHN C[C@@H](C#N)CNCC(c1ccccc1)c1ccccc1 ZINC000220115094 329506614 /nfs/dbraw/zinc/50/66/14/329506614.db2.gz MEYPMLOSDHPRAJ-HNNXBMFYSA-N 0 3 264.372 3.568 20 30 CHEDHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccc(C#N)c(F)c1 ZINC000429425325 329720645 /nfs/dbraw/zinc/72/06/45/329720645.db2.gz KXULVWDOLFZTBD-IAQYHMDHSA-N 0 3 258.340 3.681 20 30 CHEDHN CCO[C@@H](CNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421382970 329818232 /nfs/dbraw/zinc/81/82/32/329818232.db2.gz JGVJVLWEJZWCEG-SFHVURJKSA-N 0 3 298.361 3.565 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCc3sccc32)C1 ZINC000248830496 329900165 /nfs/dbraw/zinc/90/01/65/329900165.db2.gz HIZNBTUJCKCVQQ-MBNYWOFBSA-N 0 3 260.406 3.797 20 30 CHEDHN C#CC[C@@H](NCc1ccc(C)s1)c1ccccc1 ZINC000270195133 330073425 /nfs/dbraw/zinc/07/34/25/330073425.db2.gz LNCHSFVYRBEOMH-MRXNPFEDSA-N 0 3 255.386 3.911 20 30 CHEDHN C#CCCCN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000270987089 330077383 /nfs/dbraw/zinc/07/73/83/330077383.db2.gz DHPPADZKSPQWAJ-LBPRGKRZSA-N 0 3 258.390 3.703 20 30 CHEDHN COc1cc(Cl)ccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000421852499 330087978 /nfs/dbraw/zinc/08/79/78/330087978.db2.gz IJZAUFHSUHJBMC-LLVKDONJSA-N 0 3 278.783 3.693 20 30 CHEDHN C=CCC[C@H](C)N[C@@H](CCOC)c1ccc(C)o1 ZINC000273215026 330090356 /nfs/dbraw/zinc/09/03/56/330090356.db2.gz AAHNRDIZQWCLJJ-JSGCOSHPSA-N 0 3 251.370 3.610 20 30 CHEDHN C=C(Cl)CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000272816495 330094752 /nfs/dbraw/zinc/09/47/52/330094752.db2.gz FZSYFQKWPACRAL-UHFFFAOYSA-N 0 3 299.245 3.647 20 30 CHEDHN C=CCCN(C)Cc1ccccc1OCc1ccccn1 ZINC000276176026 330112295 /nfs/dbraw/zinc/11/22/95/330112295.db2.gz UFQWBIQITFSJNH-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN C=CCC[C@@H](NCC(C)(C)C[C@@H](C)O)c1ccco1 ZINC000276443523 330113326 /nfs/dbraw/zinc/11/33/26/330113326.db2.gz KONAXIYZVDZNIO-ZIAGYGMSSA-N 0 3 265.397 3.674 20 30 CHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(F)cc2)n1 ZINC000080450885 330131030 /nfs/dbraw/zinc/13/10/30/330131030.db2.gz HRXNRHBGWAJCPC-LBPRGKRZSA-N 0 3 288.347 3.896 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCN(CCC(C)(C)C)CC1 ZINC000527191021 330232532 /nfs/dbraw/zinc/23/25/32/330232532.db2.gz KFDFTPSCQNWEKE-MRXNPFEDSA-N 0 3 299.462 3.673 20 30 CHEDHN C[C@@H](NC[C@H](C)C#N)[C@H](C)c1ccc(Cl)cc1 ZINC000527235484 330239763 /nfs/dbraw/zinc/23/97/63/330239763.db2.gz SPIWEBRISOEBPD-GRYCIOLGSA-N 0 3 250.773 3.581 20 30 CHEDHN CC[C@@H](CCc1ccccc1)NCc1nc(C#N)cs1 ZINC000527763862 330281529 /nfs/dbraw/zinc/28/15/29/330281529.db2.gz MSANTKIFEGBMSM-AWEZNQCLSA-N 0 3 285.416 3.516 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527908962 330290482 /nfs/dbraw/zinc/29/04/82/330290482.db2.gz GUSNCQHJEWTOJW-ISOBSLSZSA-N 0 3 278.758 3.748 20 30 CHEDHN COCCC1CCN([C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000527938053 330293792 /nfs/dbraw/zinc/29/37/92/330293792.db2.gz YAZMIXQGBKLJGF-ZDUSSCGKSA-N 0 3 290.382 3.507 20 30 CHEDHN C=C1CCN(CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000532959747 330323025 /nfs/dbraw/zinc/32/30/25/330323025.db2.gz NBXGGQQSXVWLEP-UHFFFAOYSA-N 0 3 294.398 3.820 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cnc(-c3cccs3)s2)C1 ZINC000424193125 330324127 /nfs/dbraw/zinc/32/41/27/330324127.db2.gz JRWJZWAKMDQINZ-MNOVXSKESA-N 0 3 289.429 3.653 20 30 CHEDHN CC(C)C[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000533005069 330324990 /nfs/dbraw/zinc/32/49/90/330324990.db2.gz VXVGDTQBTUGXJQ-QGZVFWFLSA-N 0 3 259.368 3.688 20 30 CHEDHN C=C(C)CN1CCC(NC(=O)CCC2CCCCC2)CC1 ZINC000106039312 330331297 /nfs/dbraw/zinc/33/12/97/330331297.db2.gz VRASCOMAHHGOHQ-UHFFFAOYSA-N 0 3 292.467 3.504 20 30 CHEDHN COc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1SC ZINC000424319062 330339935 /nfs/dbraw/zinc/33/99/35/330339935.db2.gz DKEJWDHFDPPTEX-MBNYWOFBSA-N 0 3 290.432 3.760 20 30 CHEDHN CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000424325462 330341121 /nfs/dbraw/zinc/34/11/21/330341121.db2.gz KXMQNCMRHHUYLU-BJJXKVORSA-N 0 3 287.363 3.718 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OC(F)(F)F ZINC000424325974 330341356 /nfs/dbraw/zinc/34/13/56/330341356.db2.gz LLJBXLZDRHKYET-GRYCIOLGSA-N 0 3 298.308 3.928 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000424327562 330341714 /nfs/dbraw/zinc/34/17/14/330341714.db2.gz MVUSMACNLLMPKI-SKDZVZGDSA-N 0 3 296.414 3.671 20 30 CHEDHN C[C@@H]1CCC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000533322768 330357477 /nfs/dbraw/zinc/35/74/77/330357477.db2.gz HQBATLHIHRXORG-PBHICJAKSA-N 0 3 259.368 3.688 20 30 CHEDHN C=CCCN1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000084131774 330361110 /nfs/dbraw/zinc/36/11/10/330361110.db2.gz RULNDOCFPQFORI-MRXNPFEDSA-N 0 3 269.392 3.769 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1cccc(Br)c1 ZINC000119362360 330373648 /nfs/dbraw/zinc/37/36/48/330373648.db2.gz UMGMZPBFEZDYGS-UWVGGRQHSA-N 0 3 254.171 3.674 20 30 CHEDHN C=CCCOCCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000090884070 330396630 /nfs/dbraw/zinc/39/66/30/330396630.db2.gz DTNPFGMKAOWFFG-INIZCTEOSA-N 0 3 287.403 3.615 20 30 CHEDHN C=CC[C@H](C)NCc1cc(F)ccc1Br ZINC000121601755 330403654 /nfs/dbraw/zinc/40/36/54/330403654.db2.gz UWEOZDFJJUGQNY-VIFPVBQESA-N 0 3 272.161 3.642 20 30 CHEDHN CC(C)C1CCC(CNCc2ccc(C#N)o2)CC1 ZINC000537320457 330432679 /nfs/dbraw/zinc/43/26/79/330432679.db2.gz JZBQUKYGGBGDOO-UHFFFAOYSA-N 0 3 260.381 3.703 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c(C)c1 ZINC000537405250 330434744 /nfs/dbraw/zinc/43/47/44/330434744.db2.gz ABJUNNSQQGATGV-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN C[C@@H](CC(C)(C)c1ccccc1)NC[C@H](C#N)CCC#N ZINC000516452855 330493323 /nfs/dbraw/zinc/49/33/23/330493323.db2.gz BOECJUYRORNONM-HOTGVXAUSA-N 0 3 283.419 3.776 20 30 CHEDHN N#CCC1(CNCc2ccc3ccccc3c2)CC1 ZINC000430005436 330557186 /nfs/dbraw/zinc/55/71/86/330557186.db2.gz MZKLXZFRXYOUQI-UHFFFAOYSA-N 0 3 250.345 3.623 20 30 CHEDHN C=CC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000438107122 330716543 /nfs/dbraw/zinc/71/65/43/330716543.db2.gz BNILZVDILLBJOZ-UHFFFAOYSA-N 0 3 273.405 3.536 20 30 CHEDHN CC[C@H](C)Oc1cc(C)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442787261 330783441 /nfs/dbraw/zinc/78/34/41/330783441.db2.gz VKISLUYEFRRASD-YQQAZPJKSA-N 0 3 286.419 3.954 20 30 CHEDHN CO[C@H](c1ccccc1Cl)[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000442870933 330789138 /nfs/dbraw/zinc/78/91/38/330789138.db2.gz LBHQVYLKOICXIB-ZWUHOBOKSA-N 0 3 292.810 3.698 20 30 CHEDHN Cc1cc(CNCc2cnc3ccccc3c2)ccc1C#N ZINC000443985827 330808469 /nfs/dbraw/zinc/80/84/69/330808469.db2.gz ZUEOPABVGNDJSN-UHFFFAOYSA-N 0 3 287.366 3.705 20 30 CHEDHN Cc1cc(CN[C@H]2c3ccccc3C[C@H]2C)ccc1C#N ZINC000443992022 330808681 /nfs/dbraw/zinc/80/86/81/330808681.db2.gz VTYNRKSITYKLGC-AUUYWEPGSA-N 0 3 276.383 3.890 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000447317236 330864596 /nfs/dbraw/zinc/86/45/96/330864596.db2.gz CESSWPAAJFJASX-CMPLNLGQSA-N 0 3 288.218 3.971 20 30 CHEDHN CSCc1cc(F)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000447589361 330872041 /nfs/dbraw/zinc/87/20/41/330872041.db2.gz XRAAUQOOAMQVKG-WBMJQRKESA-N 0 3 292.423 3.861 20 30 CHEDHN C=CCOc1ccc(CN[C@H]2CCOC2(C)C)cc1Cl ZINC000449415826 330924049 /nfs/dbraw/zinc/92/40/49/330924049.db2.gz QGURGTCFDUWQQC-HNNXBMFYSA-N 0 3 295.810 3.562 20 30 CHEDHN C=C(C)CCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000449473248 330928570 /nfs/dbraw/zinc/92/85/70/330928570.db2.gz HFGMYSVYCRSULI-UHFFFAOYSA-N 0 3 297.324 3.648 20 30 CHEDHN C=CCC1(CNCc2csc(C)n2)CCCC1 ZINC000449607746 330939192 /nfs/dbraw/zinc/93/91/92/330939192.db2.gz ZAURVQUCROYIEO-UHFFFAOYSA-N 0 3 250.411 3.678 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(C2CCCC2)s1 ZINC000449546809 330935382 /nfs/dbraw/zinc/93/53/82/330935382.db2.gz DWXRRZFVYBGCSF-CABCVRRESA-N 0 3 292.448 3.624 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@H]2c2ccc(F)cc2)CCC1 ZINC000450737795 330996992 /nfs/dbraw/zinc/99/69/92/330996992.db2.gz KTVGNRWIZXELOI-HOTGVXAUSA-N 0 3 272.367 3.745 20 30 CHEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000452057536 331052417 /nfs/dbraw/zinc/05/24/17/331052417.db2.gz VYUMTGQKIJFOEL-HZPDHXFCSA-N 0 3 292.810 3.649 20 30 CHEDHN C=CC[C@@H](C)N[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453132688 331092531 /nfs/dbraw/zinc/09/25/31/331092531.db2.gz ACFGGWRRSQNKOJ-ZIAGYGMSSA-N 0 3 269.392 3.702 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453132685 331092565 /nfs/dbraw/zinc/09/25/65/331092565.db2.gz ACFGGWRRSQNKOJ-KBPBESRZSA-N 0 3 269.392 3.702 20 30 CHEDHN C=CCC[C@@H](NC[C@](C)(CC)OC)c1ccco1 ZINC000453291877 331111906 /nfs/dbraw/zinc/11/19/06/331111906.db2.gz BZJWRSVNTORHEI-HIFRSBDPSA-N 0 3 251.370 3.692 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000453314812 331115335 /nfs/dbraw/zinc/11/53/35/331115335.db2.gz IWBXMTZHNPNDKP-AWEZNQCLSA-N 0 3 284.407 3.501 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(Cl)ccc1OC ZINC000453354249 331121419 /nfs/dbraw/zinc/12/14/19/331121419.db2.gz NFAIPRXDSJMZJI-GLQYFDAESA-N 0 3 295.810 3.733 20 30 CHEDHN CC[C@H](NCc1cnc(C)cc1C)c1ccc(C#N)cc1 ZINC000453364830 331123199 /nfs/dbraw/zinc/12/31/99/331123199.db2.gz ORKDCIANSVFMDF-SFHVURJKSA-N 0 3 279.387 3.811 20 30 CHEDHN C[C@@H]1CCCC[C@@]1(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000457311910 331218739 /nfs/dbraw/zinc/21/87/39/331218739.db2.gz ZEFOGUAFJZBROD-SZVBFZGTSA-N 0 3 298.430 3.844 20 30 CHEDHN C=CC[C@H]1N(Cc2cnc(C3CC3)nc2)CCCC1(C)C ZINC000459511695 331285537 /nfs/dbraw/zinc/28/55/37/331285537.db2.gz JDCPYBSNNWNDKH-MRXNPFEDSA-N 0 3 285.435 3.921 20 30 CHEDHN C=CCC[C@@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000459628117 331291033 /nfs/dbraw/zinc/29/10/33/331291033.db2.gz CORNVZJOLUSNGI-MNOVXSKESA-N 0 3 250.411 3.637 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000459665237 331293011 /nfs/dbraw/zinc/29/30/11/331293011.db2.gz KFAQZGWWFCNTAH-FBKDDSFISA-N 0 3 278.758 3.617 20 30 CHEDHN CC(C)(CC#N)CNCc1csc2ccccc12 ZINC000459694858 331294823 /nfs/dbraw/zinc/29/48/23/331294823.db2.gz NZTCSBBYXADMMY-UHFFFAOYSA-N 0 3 258.390 3.931 20 30 CHEDHN N#Cc1cc(F)ccc1CNC1(C2CCC2)CCC1 ZINC000459753221 331298443 /nfs/dbraw/zinc/29/84/43/331298443.db2.gz BZAFAKWPDASDKN-UHFFFAOYSA-N 0 3 258.340 3.510 20 30 CHEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000459774162 331300136 /nfs/dbraw/zinc/30/01/36/331300136.db2.gz VUANYKDTOVRYKL-KBPBESRZSA-N 0 3 292.448 3.692 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000166146521 331306715 /nfs/dbraw/zinc/30/67/15/331306715.db2.gz CTIJKBUCCSEUID-PBHICJAKSA-N 0 3 252.361 3.725 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000461877628 331315014 /nfs/dbraw/zinc/31/50/14/331315014.db2.gz NOAUULWNFXDWMM-WBMJQRKESA-N 0 3 298.773 3.705 20 30 CHEDHN CC(C)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464812288 331369352 /nfs/dbraw/zinc/36/93/52/331369352.db2.gz KCXMOFOFYSLFEF-IRXDYDNUSA-N 0 3 256.393 3.804 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000464899713 331373008 /nfs/dbraw/zinc/37/30/08/331373008.db2.gz UAVHWTXUWJHLDI-UHFFFAOYSA-N 0 3 293.382 3.791 20 30 CHEDHN N#Cc1cccc(CCNCc2c(F)cccc2Cl)c1 ZINC000466418103 331396033 /nfs/dbraw/zinc/39/60/33/331396033.db2.gz VPHAZRCQWLSSGS-UHFFFAOYSA-N 0 3 288.753 3.683 20 30 CHEDHN N#Cc1cccc(CCNCc2cc3ccccc3o2)c1 ZINC000466424364 331396519 /nfs/dbraw/zinc/39/65/19/331396519.db2.gz HRAKZSPNIYTNAN-UHFFFAOYSA-N 0 3 276.339 3.637 20 30 CHEDHN C=CCC[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000468047521 331427703 /nfs/dbraw/zinc/42/77/03/331427703.db2.gz HULYCQXYGQRWKI-JTQLQIEISA-N 0 3 268.744 3.693 20 30 CHEDHN C[C@@H]1CC(CCN2CCC(F)(C#N)CC2)C[C@@H](C)C1 ZINC000510950194 332921613 /nfs/dbraw/zinc/92/16/13/332921613.db2.gz UALDDQCRDKKVMB-KBPBESRZSA-N 0 3 266.404 3.776 20 30 CHEDHN Cc1cc(CN[C@H](C)c2ccccc2)ccc1C#N ZINC000488129839 331991301 /nfs/dbraw/zinc/99/13/01/331991301.db2.gz OMHSTKDNDQBPDY-CQSZACIVSA-N 0 3 250.345 3.718 20 30 CHEDHN C=CC1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000489236720 332044139 /nfs/dbraw/zinc/04/41/39/332044139.db2.gz YDHCCDRHTBJYFC-ZDUSSCGKSA-N 0 3 274.364 3.862 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cc(F)cc2cccnc21 ZINC000489490754 332055990 /nfs/dbraw/zinc/05/59/90/332055990.db2.gz OARDKVPWHBGOFN-MRXNPFEDSA-N 0 3 270.351 3.914 20 30 CHEDHN N#Cc1cc(F)ccc1CN1CCC[C@H]1Cc1ccccc1 ZINC000489564287 332059524 /nfs/dbraw/zinc/05/95/24/332059524.db2.gz FWXCOXMPXKLYBR-IBGZPJMESA-N 0 3 294.373 3.904 20 30 CHEDHN C=CCCCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490039582 332078235 /nfs/dbraw/zinc/07/82/35/332078235.db2.gz CMPKVPGHWDTWDD-OAHLLOKOSA-N 0 3 267.800 3.926 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490054878 332079009 /nfs/dbraw/zinc/07/90/09/332079009.db2.gz BJKGRUSFBAAPOA-UHFFFAOYSA-N 0 3 292.379 3.782 20 30 CHEDHN C=C(CC)CN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490073192 332079738 /nfs/dbraw/zinc/07/97/38/332079738.db2.gz QKWCGEFCTGMZTO-OAHLLOKOSA-N 0 3 267.800 3.926 20 30 CHEDHN N#Cc1cccc(CNCc2ccc3c(c2)CCCC3)c1 ZINC000490592207 332093780 /nfs/dbraw/zinc/09/37/80/332093780.db2.gz IZKGFWNGTYDXNL-UHFFFAOYSA-N 0 3 276.383 3.727 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1cccc(F)c1 ZINC000491354262 332196108 /nfs/dbraw/zinc/19/61/08/332196108.db2.gz AUXXFKRARINRKQ-UHFFFAOYSA-N 0 3 259.324 3.649 20 30 CHEDHN C#C[C@@H](NC1CCC(OC)CC1)c1ccc(Cl)cc1 ZINC000491428340 332210083 /nfs/dbraw/zinc/21/00/83/332210083.db2.gz OHKJPOBOMIGSLD-UYSNPLJNSA-N 0 3 277.795 3.562 20 30 CHEDHN C#C[C@@H](N[C@H](C)CCC(F)(F)F)c1ccc(F)cc1 ZINC000491663398 332272522 /nfs/dbraw/zinc/27/25/22/332272522.db2.gz MSLQCZNVEUDQHT-ZWNOBZJWSA-N 0 3 273.273 3.821 20 30 CHEDHN C#C[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1 ZINC000491734473 332315313 /nfs/dbraw/zinc/31/53/13/332315313.db2.gz BPVSBFYBGLHANQ-HOTGVXAUSA-N 0 3 289.806 3.706 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(C(F)F)cc1 ZINC000580531802 335106945 /nfs/dbraw/zinc/10/69/45/335106945.db2.gz ZZUXWTJYTLPTGE-UHFFFAOYSA-N 0 3 252.308 3.654 20 30 CHEDHN C=C(CC)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494493258 332475741 /nfs/dbraw/zinc/47/57/41/332475741.db2.gz IMBLCVNHFGXOIH-GJZGRUSLSA-N 0 3 265.784 3.726 20 30 CHEDHN C=C(C)COCCNC/C(C)=C\c1ccc(Cl)cc1 ZINC000513494516 332584199 /nfs/dbraw/zinc/58/41/99/332584199.db2.gz IHAJXTWUJLKEBP-UVTDQMKNSA-N 0 3 279.811 3.926 20 30 CHEDHN C[C@@H]([C@H](C)NC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000248557011 334305792 /nfs/dbraw/zinc/30/57/92/334305792.db2.gz IJXCDKKUCISYMX-SOUVJXGZSA-N 0 3 261.413 3.624 20 30 CHEDHN CC[C@H]1C[C@]1(NCc1cc(C#N)n(C)c1)c1cccc(C)c1 ZINC000500480966 332610801 /nfs/dbraw/zinc/61/08/01/332610801.db2.gz IAVLFYRQLOFUEV-QFBILLFUSA-N 0 3 293.414 3.620 20 30 CHEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000503586152 332693599 /nfs/dbraw/zinc/69/35/99/332693599.db2.gz IEGQQNNSLMUFFG-LBPRGKRZSA-N 0 3 286.325 3.730 20 30 CHEDHN C=CCOc1ccc(CN2CCCCCC2)cc1OC ZINC000505461791 332741269 /nfs/dbraw/zinc/74/12/69/332741269.db2.gz MMGXFADPKCAJDG-UHFFFAOYSA-N 0 3 275.392 3.636 20 30 CHEDHN Cc1ccccc1[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000513061567 333002095 /nfs/dbraw/zinc/00/20/95/333002095.db2.gz BNYSWOFVPJBWHI-AWEZNQCLSA-N 0 3 282.412 3.918 20 30 CHEDHN C=CCC[C@@H](CCC)NCc1cn2cc(C)ccc2n1 ZINC000517448231 333099764 /nfs/dbraw/zinc/09/97/64/333099764.db2.gz GZARAQNLFXPOQA-OAHLLOKOSA-N 0 3 271.408 3.867 20 30 CHEDHN C=CCN(CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521220919 333115357 /nfs/dbraw/zinc/11/53/57/333115357.db2.gz WFLILHUWMNPLHZ-LBPRGKRZSA-N 0 3 287.325 3.901 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](C)c1oc2ccccc2c1C ZINC000183629137 333121428 /nfs/dbraw/zinc/12/14/28/333121428.db2.gz CWPWVRZACNZXOC-UONOGXRCSA-N 0 3 273.376 3.719 20 30 CHEDHN C=CCC[C@@H](O)CN[C@H](C)c1oc2ccccc2c1C ZINC000183629122 333121548 /nfs/dbraw/zinc/12/15/48/333121548.db2.gz CWPWVRZACNZXOC-ZIAGYGMSSA-N 0 3 273.376 3.719 20 30 CHEDHN CCOc1cc(Cl)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185866029 333150603 /nfs/dbraw/zinc/15/06/03/333150603.db2.gz JOVRUYQFTANSRT-WFASDCNBSA-N 0 3 292.810 3.911 20 30 CHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000521715501 333184671 /nfs/dbraw/zinc/18/46/71/333184671.db2.gz WEQAJZUAXIUXHZ-UHFFFAOYSA-N 0 3 274.364 3.773 20 30 CHEDHN CCC(C)(C)c1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000191467150 333220241 /nfs/dbraw/zinc/22/02/41/333220241.db2.gz GEUYVLXOTLTJTE-UHFFFAOYSA-N 0 3 295.430 3.874 20 30 CHEDHN CN(CCCOc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191895185 333226925 /nfs/dbraw/zinc/22/69/25/333226925.db2.gz LWGIDVVVHORCCZ-UHFFFAOYSA-N 0 3 298.361 3.598 20 30 CHEDHN CCS[C@H]1CC[C@@H](N(C)CC#Cc2ccccc2)C1 ZINC000192049142 333228638 /nfs/dbraw/zinc/22/86/38/333228638.db2.gz IMEUOYUWSWALDT-SJORKVTESA-N 0 3 273.445 3.644 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccccc1C#N ZINC000522468423 333287578 /nfs/dbraw/zinc/28/75/78/333287578.db2.gz CKQKQAYNAVXWNU-DNVCBOLYSA-N 0 3 276.383 3.936 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccccc1C#N ZINC000522468424 333287764 /nfs/dbraw/zinc/28/77/64/333287764.db2.gz CKQKQAYNAVXWNU-HNAYVOBHSA-N 0 3 276.383 3.936 20 30 CHEDHN C=CCCCCCN(C)CC(=O)NC1CCCCCC1 ZINC000523552884 333332828 /nfs/dbraw/zinc/33/28/28/333332828.db2.gz AXVCQVZORNMLFC-UHFFFAOYSA-N 0 3 280.456 3.504 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000232528304 333338334 /nfs/dbraw/zinc/33/83/34/333338334.db2.gz LWKYSWOTBVNUQZ-GFCCVEGCSA-N 0 3 276.346 3.981 20 30 CHEDHN CCC1(C)CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000232895135 333344918 /nfs/dbraw/zinc/34/49/18/333344918.db2.gz NLQKFWQPDTUPLC-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN COc1cc(CN(C)Cc2cccc(C)c2)ccc1C#N ZINC000234928674 333363110 /nfs/dbraw/zinc/36/31/10/333363110.db2.gz KDHTWGHORWIRAR-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000235344920 333368193 /nfs/dbraw/zinc/36/81/93/333368193.db2.gz SGVOBUZEZHKZJY-FRRDWIJNSA-N 0 3 260.356 3.564 20 30 CHEDHN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000315615004 333382794 /nfs/dbraw/zinc/38/27/94/333382794.db2.gz VNJZTMOZPPERLV-CHWSQXEVSA-N 0 3 295.342 3.878 20 30 CHEDHN CN(CCOC1CCCCCC1)Cc1ccc(C#N)cc1 ZINC000524905223 333393016 /nfs/dbraw/zinc/39/30/16/333393016.db2.gz BANTUDRZSYCXSK-UHFFFAOYSA-N 0 3 286.419 3.729 20 30 CHEDHN C=C(C)CN(C)CC1(c2ccc(Br)cc2)CC1 ZINC000524991376 333394993 /nfs/dbraw/zinc/39/49/93/333394993.db2.gz VZCGWLIBKBSGGE-UHFFFAOYSA-N 0 3 294.236 3.989 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000125620110 333568406 /nfs/dbraw/zinc/56/84/06/333568406.db2.gz MIKUCLKMJMNCGC-LLVKDONJSA-N 0 3 271.763 3.722 20 30 CHEDHN C[C@@H](NC[C@H](C)Oc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000174264636 335151646 /nfs/dbraw/zinc/15/16/46/335151646.db2.gz SRPZUDPBDGMTBT-UONOGXRCSA-N 0 3 298.361 3.815 20 30 CHEDHN C[C@]1(NCc2cccc(C#N)c2)CCCc2ccccc21 ZINC000539798557 333691190 /nfs/dbraw/zinc/69/11/90/333691190.db2.gz ZRLCLYSTHFNONU-IBGZPJMESA-N 0 3 276.383 3.900 20 30 CHEDHN C[C@@H](NC/C=C/c1ccccc1)c1cccc(C#N)c1 ZINC000174431657 335154554 /nfs/dbraw/zinc/15/45/54/335154554.db2.gz YWNCCHLHWULXPH-WCLQSUPFSA-N 0 3 262.356 3.922 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)o1)C(C)(C)c1ccccc1 ZINC000174438718 335154860 /nfs/dbraw/zinc/15/48/60/335154860.db2.gz TVMSOONLNPGLHS-KRWDZBQOSA-N 0 3 282.387 3.997 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(OCCC)c(OC)c1 ZINC000540352393 333726911 /nfs/dbraw/zinc/72/69/11/333726911.db2.gz ZSOMPZWZFKNMIH-CYBMUJFWSA-N 0 3 263.381 3.711 20 30 CHEDHN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(CC#N)cc1 ZINC000576107203 335155108 /nfs/dbraw/zinc/15/51/08/335155108.db2.gz CVPLOMCZPXLJID-IFXJQAMLSA-N 0 3 276.383 3.776 20 30 CHEDHN N#Cc1ccc(CNCCc2c[nH]c3ccc(Cl)cc23)o1 ZINC000174592779 335159755 /nfs/dbraw/zinc/15/97/55/335159755.db2.gz QWLGUVDHSQNEAS-UHFFFAOYSA-N 0 3 299.761 3.618 20 30 CHEDHN COc1ccc(C2(NCc3ccc(CC#N)cc3)CC2)cc1 ZINC000542259015 333819100 /nfs/dbraw/zinc/81/91/00/333819100.db2.gz JZYVCEJGQSNMBZ-UHFFFAOYSA-N 0 3 292.382 3.540 20 30 CHEDHN C[C@@H](C#N)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000542695810 333836794 /nfs/dbraw/zinc/83/67/94/333836794.db2.gz FEVJPSXPYAPGEY-LRDDRELGSA-N 0 3 258.340 3.511 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000545271736 333974804 /nfs/dbraw/zinc/97/48/04/333974804.db2.gz YDGCXIVYRLWQHH-RNCFNFMXSA-N 0 3 274.191 3.581 20 30 CHEDHN CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1 ZINC000545458534 333982863 /nfs/dbraw/zinc/98/28/63/333982863.db2.gz XXGXPXBSJUIPTI-MFKMUULPSA-N 0 3 270.298 3.940 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000545948489 334008359 /nfs/dbraw/zinc/00/83/59/334008359.db2.gz UQRYILSSBDCUEU-OIISXLGYSA-N 0 3 256.393 3.537 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000545948488 334008484 /nfs/dbraw/zinc/00/84/84/334008484.db2.gz UQRYILSSBDCUEU-HYVNUMGLSA-N 0 3 256.393 3.537 20 30 CHEDHN CCSc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000546035332 334013778 /nfs/dbraw/zinc/01/37/78/334013778.db2.gz UZCMMYFTGCQTLJ-UHFFFAOYSA-N 0 3 274.433 3.924 20 30 CHEDHN C=C[C@H](C)N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133258092 334031126 /nfs/dbraw/zinc/03/11/26/334031126.db2.gz GKIIRPFXSWDICI-ZANVPECISA-N 0 3 270.298 3.642 20 30 CHEDHN CC(C)[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCS1 ZINC000076063701 334069411 /nfs/dbraw/zinc/06/94/11/334069411.db2.gz AGWBZVYHRXXYQV-BBRMVZONSA-N 0 3 274.433 3.693 20 30 CHEDHN C=C(C)COCCNCc1ccc(-c2ccccc2)o1 ZINC000134509603 334092906 /nfs/dbraw/zinc/09/29/06/334092906.db2.gz LWQHYAPMNANECP-UHFFFAOYSA-N 0 3 271.360 3.629 20 30 CHEDHN Cc1cc(C(=O)C(C#N)c2ccccn2)ccc1Cl ZINC000135027321 334112565 /nfs/dbraw/zinc/11/25/65/334112565.db2.gz CEDIWJXFRXIFEN-GFCCVEGCSA-N 0 3 270.719 3.534 20 30 CHEDHN C[C@@H]1[C@H](C)SCCN1Cc1ccccc1C(C)(C)C#N ZINC000135239457 334121371 /nfs/dbraw/zinc/12/13/71/334121371.db2.gz ZDNUWOGATWEWFE-KGLIPLIRSA-N 0 3 288.460 3.814 20 30 CHEDHN CCc1nc2ccccc2c(NCCCCC#N)c1C ZINC000548774027 334173527 /nfs/dbraw/zinc/17/35/27/334173527.db2.gz VPZYNNBRVUZOTL-UHFFFAOYSA-N 0 3 267.376 3.633 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549171776 334186870 /nfs/dbraw/zinc/18/68/70/334186870.db2.gz PJKFILJIULMCQL-GFCCVEGCSA-N 0 3 288.357 3.981 20 30 CHEDHN C=CCOCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000549366959 334191292 /nfs/dbraw/zinc/19/12/92/334191292.db2.gz DHOWGFBJSPWPFK-LBPRGKRZSA-N 0 3 253.773 3.535 20 30 CHEDHN N#CCc1ccc(CN2CC[C@H](c3ccccc3F)C2)cc1 ZINC000550210605 334215933 /nfs/dbraw/zinc/21/59/33/334215933.db2.gz IHPRIPRJHHPFAI-KRWDZBQOSA-N 0 3 294.373 3.881 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1ccn(Cc2ccccc2)n1 ZINC000551814193 334263140 /nfs/dbraw/zinc/26/31/40/334263140.db2.gz VSXVFLDOSPILAZ-JKSUJKDBSA-N 0 3 283.419 3.622 20 30 CHEDHN C=CCC[C@H](NC[C@@](C)(O)[C@@H](C)CC)c1ccco1 ZINC000552043765 334280506 /nfs/dbraw/zinc/28/05/06/334280506.db2.gz BDSDASUEANMPTP-OFQRWUPVSA-N 0 3 265.397 3.674 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3c2cccc3Cl)C1 ZINC000248998804 334324449 /nfs/dbraw/zinc/32/44/49/334324449.db2.gz PWJSQSYDRLSJRB-XHBSWPGZSA-N 0 3 274.795 3.999 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](C)c1nccs1 ZINC000249280059 334331110 /nfs/dbraw/zinc/33/11/10/334331110.db2.gz NGKNKJAEMMRMRV-QWHCGFSZSA-N 0 3 285.416 3.811 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249968579 334342322 /nfs/dbraw/zinc/34/23/22/334342322.db2.gz XHWKLLKMHUDTFI-BBWFWOEESA-N 0 3 256.393 3.680 20 30 CHEDHN CCN(CCNCc1ccc(C#N)s1)c1ccccc1C ZINC000553651575 334394489 /nfs/dbraw/zinc/39/44/89/334394489.db2.gz YOMCADUDXZZHQR-UHFFFAOYSA-N 0 3 299.443 3.544 20 30 CHEDHN N#CCc1ccc(CN(Cc2cccs2)C2CC2)cc1 ZINC000342692709 335185681 /nfs/dbraw/zinc/18/56/81/335185681.db2.gz KYBNBQZOKHDODW-UHFFFAOYSA-N 0 3 282.412 3.979 20 30 CHEDHN Cc1c([C@@H](C)NCc2ccc(CC#N)cc2)cnn1C(C)C ZINC000576345922 335192443 /nfs/dbraw/zinc/19/24/43/335192443.db2.gz VRJSMUHCMAAVTP-CQSZACIVSA-N 0 3 296.418 3.689 20 30 CHEDHN C=CCC[C@@H](N[C@H](CO)Cc1cccc(C)c1)c1ccco1 ZINC000577382876 335345889 /nfs/dbraw/zinc/34/58/89/335345889.db2.gz QRWRKNIRUBUXQK-ZWKOTPCHSA-N 0 3 299.414 3.789 20 30 CHEDHN C[C@@H](NCC1(C#N)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000577458179 335354182 /nfs/dbraw/zinc/35/41/82/335354182.db2.gz WBSQJELFTFVCSI-NWDGAFQWSA-N 0 3 262.784 3.725 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCOCC1CCC1 ZINC000577572166 335370756 /nfs/dbraw/zinc/37/07/56/335370756.db2.gz KSXLNGKVTYKTCB-LJQANCHMSA-N 0 3 298.430 3.732 20 30 CHEDHN CC(C)Oc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177684306 335378850 /nfs/dbraw/zinc/37/88/50/335378850.db2.gz QIXYCJUKGWTXCW-UHFFFAOYSA-N 0 3 286.400 3.697 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000177692098 335379188 /nfs/dbraw/zinc/37/91/88/335379188.db2.gz ANZVVNAQQVTORM-OAHLLOKOSA-N 0 3 272.348 3.536 20 30 CHEDHN CCOc1cccc([C@H](C)NCc2cc(C#N)cs2)c1 ZINC000177692783 335379400 /nfs/dbraw/zinc/37/94/00/335379400.db2.gz IOKPPFIMXAMKMU-LBPRGKRZSA-N 0 3 286.400 3.869 20 30 CHEDHN C[C@@H](Cc1ccccc1F)NCc1ccc(C#N)cc1F ZINC000178784201 335450810 /nfs/dbraw/zinc/45/08/10/335450810.db2.gz ZLKMLHFSYAJTOF-LBPRGKRZSA-N 0 3 286.325 3.557 20 30 CHEDHN C=CCC[C@@H](O)CN[C@H](CC)c1ccccc1OC(F)F ZINC000179721925 335511315 /nfs/dbraw/zinc/51/13/15/335511315.db2.gz PXXJPBCBAJHOSS-TZMCWYRMSA-N 0 3 299.361 3.656 20 30 CHEDHN Cc1cccc(C)c1OCCN1CCC(CCC#N)CC1 ZINC000579105765 335709302 /nfs/dbraw/zinc/70/93/02/335709302.db2.gz HYNCDVXAKPXHPQ-UHFFFAOYSA-N 0 3 286.419 3.698 20 30 CHEDHN CC(C)C1CCC(CNCc2nc(C#N)cs2)CC1 ZINC000579291042 335731586 /nfs/dbraw/zinc/73/15/86/335731586.db2.gz YLRLJQWABFZPKZ-UHFFFAOYSA-N 0 3 277.437 3.567 20 30 CHEDHN C[C@H](CN[C@H](C)c1cccc(C#N)c1)Oc1ccccc1 ZINC000181965574 335792692 /nfs/dbraw/zinc/79/26/92/335792692.db2.gz GEFIIWAOKPOCME-HUUCEWRRSA-N 0 3 280.371 3.676 20 30 CHEDHN N#Cc1ccc(CNC2(Cc3ccccc3)CCCC2)o1 ZINC000184205335 335920654 /nfs/dbraw/zinc/92/06/54/335920654.db2.gz YVBSAZTYVITCHQ-UHFFFAOYSA-N 0 3 280.371 3.796 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)C1CCCCC1)c1ccco1 ZINC000581256731 336033053 /nfs/dbraw/zinc/03/30/53/336033053.db2.gz ISIPAFQPBGLHSD-HZPDHXFCSA-N 0 3 277.408 3.818 20 30 CHEDHN C=C(C)CNCc1ccccc1OCc1ccccc1 ZINC000380924249 336039728 /nfs/dbraw/zinc/03/97/28/336039728.db2.gz BHWWUADLYABFQA-UHFFFAOYSA-N 0 3 267.372 3.931 20 30 CHEDHN COc1cc(CN(C)[C@@H](C)c2ccccc2)ccc1C#N ZINC000383687034 336116548 /nfs/dbraw/zinc/11/65/48/336116548.db2.gz BQJYDYHJPVWDNK-AWEZNQCLSA-N 0 3 280.371 3.760 20 30 CHEDHN C=C(C)CCNCc1nc2ccccc2n1CCC ZINC000386870295 336181083 /nfs/dbraw/zinc/18/10/83/336181083.db2.gz KRRIQUXEGIVOOX-UHFFFAOYSA-N 0 3 257.381 3.502 20 30 CHEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NCC1(C#N)CCC1)CC3 ZINC000333642097 534369610 /nfs/dbraw/zinc/36/96/10/534369610.db2.gz UMIFHCHMJYCFHW-CQSZACIVSA-N 0 3 293.414 3.617 20 30 CHEDHN CCOc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000037678718 521374005 /nfs/dbraw/zinc/37/40/05/521374005.db2.gz HRZMTUBMNFFLJI-CQSZACIVSA-N 0 3 280.371 3.808 20 30 CHEDHN CCc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000084200260 521842937 /nfs/dbraw/zinc/84/29/37/521842937.db2.gz GZGPGTSLZRLPGT-AWEZNQCLSA-N 0 3 264.372 3.971 20 30 CHEDHN COc1cc(CN(C)[C@H](C)c2cccs2)ccc1C#N ZINC000234937324 522359219 /nfs/dbraw/zinc/35/92/19/522359219.db2.gz LTULHAIJBTXGQV-GFCCVEGCSA-N 0 3 286.400 3.821 20 30 CHEDHN CC[C@H](NCc1ccsc1)c1ccc(C#N)cc1 ZINC000278276870 522660573 /nfs/dbraw/zinc/66/05/73/522660573.db2.gz PQOXANOUAUWQRQ-HNNXBMFYSA-N 0 3 256.374 3.861 20 30 CHEDHN CC[C@H](NCc1cnc(C)s1)c1ccc(C#N)cc1 ZINC000278860656 522663196 /nfs/dbraw/zinc/66/31/96/522663196.db2.gz WFKROVQJQFZMCE-HNNXBMFYSA-N 0 3 271.389 3.564 20 30 CHEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)s1 ZINC000276958092 522869113 /nfs/dbraw/zinc/86/91/13/522869113.db2.gz LLIHUEIICCKIRK-GFCCVEGCSA-N 0 3 293.823 3.853 20 30 CHEDHN CC[C@@H](NCc1ccc(Cl)nc1)c1ccc(C#N)cc1 ZINC000278188445 522874599 /nfs/dbraw/zinc/87/45/99/522874599.db2.gz FEMOGJZYTZWLTQ-OAHLLOKOSA-N 0 3 285.778 3.848 20 30 CHEDHN CC[C@@H](N[C@H](COC)c1ccccc1)c1ccc(C#N)cc1 ZINC000278665364 522944980 /nfs/dbraw/zinc/94/49/80/522944980.db2.gz IZHYIOWZIZBXMP-RTBURBONSA-N 0 3 294.398 3.987 20 30 CHEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1 ZINC000130159192 522965839 /nfs/dbraw/zinc/96/58/39/522965839.db2.gz PQNRREJKICJRDN-QGZVFWFLSA-N 0 3 265.360 3.536 20 30 CHEDHN Cc1ncc(CN[C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000336083238 534744355 /nfs/dbraw/zinc/74/43/55/534744355.db2.gz FPBREARRUDFPRY-KRWDZBQOSA-N 0 3 297.427 3.881 20 30 CHEDHN C[C@@H]1CCCC[C@H]1N(C)Cc1cc(C#N)ccc1F ZINC000055386717 524163337 /nfs/dbraw/zinc/16/33/37/524163337.db2.gz SDZLAQDAAGDSGS-MLGOLLRUSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1cc(CNCc2cccc(C#N)c2)c(C)s1 ZINC000049686737 524762082 /nfs/dbraw/zinc/76/20/82/524762082.db2.gz AHQQXXZKEBRURL-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN C[C@H](NC[C@H](c1cccs1)N(C)C)c1cccc(C#N)c1 ZINC000037234636 525410606 /nfs/dbraw/zinc/41/06/06/525410606.db2.gz NIEKJWUCMVKVHT-XJKSGUPXSA-N 0 3 299.443 3.573 20 30 CHEDHN Cc1cc([C@H](NCc2cc(C#N)n(C)c2)C2CC2)ccc1F ZINC000276586244 525538191 /nfs/dbraw/zinc/53/81/91/525538191.db2.gz CPASKAKJNMGLGG-GOSISDBHSA-N 0 3 297.377 3.585 20 30 CHEDHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)c(F)c1 ZINC000272706370 525549476 /nfs/dbraw/zinc/54/94/76/525549476.db2.gz ZTQUIJMFWBOVQB-XHDPSFHLSA-N 0 3 290.382 3.694 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@H](C)C1 ZINC000289369736 526068487 /nfs/dbraw/zinc/06/84/87/526068487.db2.gz BHBKDMNAPRYYMA-NEPJUHHUSA-N 0 3 264.319 3.596 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OC(C)(C)C)CC1 ZINC000275071998 526073756 /nfs/dbraw/zinc/07/37/56/526073756.db2.gz KQWLZQAGVCXSPN-CQSZACIVSA-N 0 3 286.419 3.899 20 30 CHEDHN C=CCN(CC[C@@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000347399972 526307188 /nfs/dbraw/zinc/30/71/88/526307188.db2.gz MYTUXSBBADEHSA-SFHVURJKSA-N 0 3 284.403 3.505 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000279760520 526627158 /nfs/dbraw/zinc/62/71/58/526627158.db2.gz ZSBDQOZTHXBXFJ-HIFRSBDPSA-N 0 3 284.334 3.716 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)o1 ZINC000293415166 526628219 /nfs/dbraw/zinc/62/82/19/526628219.db2.gz MSMGQWUQELFBPL-HAQNSBGRSA-N 0 3 286.762 3.840 20 30 CHEDHN C=C(C)COCCN[C@H]1CCCc2c(Cl)cccc21 ZINC000349531848 526657477 /nfs/dbraw/zinc/65/74/77/526657477.db2.gz ASWCCKIQKDLEBA-INIZCTEOSA-N 0 3 279.811 3.900 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000155485699 526709984 /nfs/dbraw/zinc/70/99/84/526709984.db2.gz BWRWHXNSXRPPAA-KRWDZBQOSA-N 0 3 278.355 3.562 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000347924880 526860611 /nfs/dbraw/zinc/86/06/11/526860611.db2.gz FVNKYXSBSIMEEO-JTQLQIEISA-N 0 3 289.345 3.679 20 30 CHEDHN C=CCOc1ccc(CN[C@H](CC)c2ccncc2)cc1 ZINC000344596261 526890364 /nfs/dbraw/zinc/89/03/64/526890364.db2.gz XBCOFGGWWSCVPO-GOSISDBHSA-N 0 3 282.387 3.887 20 30 CHEDHN CC(C)(CCC#N)CNCc1cccc(Cl)c1F ZINC000344634356 526998798 /nfs/dbraw/zinc/99/87/98/526998798.db2.gz STQODPJFRVUQIE-UHFFFAOYSA-N 0 3 268.763 3.899 20 30 CHEDHN C=C[C@@H](CO)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000353570135 527443955 /nfs/dbraw/zinc/44/39/55/527443955.db2.gz DGNDZZXFTRHKMU-GWCFXTLKSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CCC[C@H](NCCc1csc(C)n1)c1ccco1 ZINC000353456144 527484310 /nfs/dbraw/zinc/48/43/10/527484310.db2.gz UMEMNLJDMOTJIF-AWEZNQCLSA-N 0 3 276.405 3.884 20 30 CHEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)cs2)C1(CC)CC ZINC000344693286 527942440 /nfs/dbraw/zinc/94/24/40/527942440.db2.gz IRWHNIOZYILTKG-LSDHHAIUSA-N 0 3 292.448 3.693 20 30 CHEDHN COc1ccc([C@H]2CCN(Cc3ccc(C#N)s3)C2)cc1 ZINC000127291415 1125459859 /nfs/dbraw/zinc/45/98/59/1125459859.db2.gz LMTQXCOSBQNIHK-AWEZNQCLSA-N 0 3 298.411 3.618 20 30 CHEDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C#N)cc1)CCC2 ZINC000111311206 1125482137 /nfs/dbraw/zinc/48/21/37/1125482137.db2.gz JQAGMXJUMZWTBS-INIZCTEOSA-N 0 3 297.427 3.833 20 30 CHEDHN C=CCN(CC(=O)NCCC(C)(C)C)CC1CCCCC1 ZINC001167391987 1118444475 /nfs/dbraw/zinc/44/44/75/1118444475.db2.gz QSTPDJKNLJYLBO-UHFFFAOYSA-N 0 3 294.483 3.607 20 30 CHEDHN C=CC(C)(C)CCNCc1nc2cc(F)ccc2o1 ZINC000634986961 1119362997 /nfs/dbraw/zinc/36/29/97/1119362997.db2.gz IRAUPRLTYRTKHY-UHFFFAOYSA-N 0 3 262.328 3.659 20 30 CHEDHN COc1c(Cl)cccc1CN[C@H](C)CC(C)(C)C#N ZINC000897480258 1125507726 /nfs/dbraw/zinc/50/77/26/1125507726.db2.gz UWFOUUBRIBCSCF-LLVKDONJSA-N 0 3 280.799 3.767 20 30 CHEDHN N#CC1(CNCCc2ccc(Cl)cc2)CCCC1 ZINC000405156163 1122465891 /nfs/dbraw/zinc/46/58/91/1122465891.db2.gz KGMRRUDNVPRORR-UHFFFAOYSA-N 0 3 262.784 3.556 20 30 CHEDHN CCC#C[C@@H](C)N1CCC(OC2CCC(C)CC2)CC1 ZINC001190933131 1122561176 /nfs/dbraw/zinc/56/11/76/1122561176.db2.gz BRGVHVWJIIRTQJ-AQFXKWCLSA-N 0 3 277.452 3.848 20 30 CHEDHN N#CC1CCN(Cc2csc3ccccc23)CC1 ZINC000070217484 1123140972 /nfs/dbraw/zinc/14/09/72/1123140972.db2.gz PYSULAOKOPQPTA-UHFFFAOYSA-N 0 3 256.374 3.637 20 30 CHEDHN CCOc1cc(Cl)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442819079 1123341105 /nfs/dbraw/zinc/34/11/05/1123341105.db2.gz POTVZRDAAJGPDR-BXUZGUMPSA-N 0 3 278.783 3.521 20 30 CHEDHN Cc1cc(Cl)c2c(c1)[C@@H](NCCCC#N)CCCO2 ZINC000346804326 1123715034 /nfs/dbraw/zinc/71/50/34/1123715034.db2.gz HDYHVLOOVRXYME-AWEZNQCLSA-N 0 3 278.783 3.756 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040823 1124664406 /nfs/dbraw/zinc/66/44/06/1124664406.db2.gz CPGTXPBFKPNSCD-NXEZZACHSA-N 0 3 266.366 3.542 20 30 CHEDHN C#CC1CCN(Cc2cccc(C(F)(F)F)c2C)CC1 ZINC001143930410 1131557663 /nfs/dbraw/zinc/55/76/63/1131557663.db2.gz PTBHCCLZTPYHDX-UHFFFAOYSA-N 0 3 281.321 3.859 20 30 CHEDHN C=C(Cl)CN[C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000773005054 1131916394 /nfs/dbraw/zinc/91/63/94/1131916394.db2.gz NNXGWMRDTCXGOR-RYUDHWBXSA-N 0 3 253.773 3.529 20 30 CHEDHN CCCCCCC[C@H](CC)n1cnc2c1CNCC2 ZINC001172356031 1132185614 /nfs/dbraw/zinc/18/56/14/1132185614.db2.gz GFNNNZNQAWHTBH-AWEZNQCLSA-N 0 3 263.429 3.840 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2cnc(CC(C)C)s2)C1 ZINC000843424707 1132533372 /nfs/dbraw/zinc/53/33/72/1132533372.db2.gz ZRQMYKAZJASCOM-CQSZACIVSA-N 0 3 276.449 3.577 20 30 CHEDHN CC[C@@H]1CCC[C@@H]1CNCc1cccc(F)c1C#N ZINC001205858959 1133623290 /nfs/dbraw/zinc/62/32/90/1133623290.db2.gz FZSRHRBKONNKRF-CHWSQXEVSA-N 0 3 260.356 3.613 20 30 CHEDHN CCc1oc2ccccc2c1CN(C)CCCC#N ZINC000071124889 1125631979 /nfs/dbraw/zinc/63/19/79/1125631979.db2.gz CPGDEJGNVWVVRH-UHFFFAOYSA-N 0 3 256.349 3.731 20 30 CHEDHN C#CCSCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000219224524 1125672699 /nfs/dbraw/zinc/67/26/99/1125672699.db2.gz GXNXSLRUADJTRE-UHFFFAOYSA-N 0 3 289.375 3.542 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2ccsc2)cc1 ZINC000282969608 1125730572 /nfs/dbraw/zinc/73/05/72/1125730572.db2.gz LEUBVJRAOAFBJU-CYBMUJFWSA-N 0 3 271.385 3.611 20 30 CHEDHN C=CCCOCCN[C@@H]1CCSc2ccc(F)cc21 ZINC000090884015 1125746476 /nfs/dbraw/zinc/74/64/76/1125746476.db2.gz DPYHTDBJQYNJEK-CQSZACIVSA-N 0 3 281.396 3.545 20 30 CHEDHN CC(C)(CCC#N)CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000092437444 1125757692 /nfs/dbraw/zinc/75/76/92/1125757692.db2.gz NNQHJCBODJTXDF-MRXNPFEDSA-N 0 3 290.407 3.591 20 30 CHEDHN C=CC[C@H](CO)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000184283904 1129180658 /nfs/dbraw/zinc/18/06/58/1129180658.db2.gz BZHDYERYSTZMDV-CQSZACIVSA-N 0 3 291.778 3.627 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1cc(COC)cs1 ZINC000667947309 1126716342 /nfs/dbraw/zinc/71/63/42/1126716342.db2.gz MHAAZGNTKAQTPX-UHFFFAOYSA-N 0 3 291.416 3.718 20 30 CHEDHN CO[C@@H](CN1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000338303871 1126733076 /nfs/dbraw/zinc/73/30/76/1126733076.db2.gz OUCNSKDOYKIPQP-HNNXBMFYSA-N 0 3 292.810 3.653 20 30 CHEDHN CCc1nc(C)c([C@@H](C)NCc2cccc(C#N)c2)s1 ZINC000151369439 1126753183 /nfs/dbraw/zinc/75/31/83/1126753183.db2.gz KQZNBPGQZYLWMT-LLVKDONJSA-N 0 3 285.416 3.736 20 30 CHEDHN CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1F ZINC000174061915 1126765867 /nfs/dbraw/zinc/76/58/67/1126765867.db2.gz FUFFAFOFLWPWRR-CYBMUJFWSA-N 0 3 298.361 3.947 20 30 CHEDHN C=CCOc1ccc(CNCc2ccccc2NCC)cc1 ZINC000902558886 1126767067 /nfs/dbraw/zinc/76/70/67/1126767067.db2.gz RAKXIRQKMXWGDT-UHFFFAOYSA-N 0 3 296.414 3.973 20 30 CHEDHN C[C@H](NCC#Cc1ccccc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000483694041 1126797490 /nfs/dbraw/zinc/79/74/90/1126797490.db2.gz QNOOJADXJXWSCL-GUXCAODWSA-N 0 3 291.394 3.581 20 30 CHEDHN Cc1ccc2c(c1)CCN(Cc1ccc(CC#N)cc1)C2 ZINC000483995837 1126808224 /nfs/dbraw/zinc/80/82/24/1126808224.db2.gz SPMFAWFDDYMAKO-UHFFFAOYSA-N 0 3 276.383 3.619 20 30 CHEDHN CC[C@@H](NCCCC#N)c1ccccc1OC(F)F ZINC000179724606 1126833248 /nfs/dbraw/zinc/83/32/48/1126833248.db2.gz JAEWPZWUOHWMOD-GFCCVEGCSA-N 0 3 268.307 3.632 20 30 CHEDHN CCSCC[C@H](C)N(C)Cc1ccc(C#N)s1 ZINC000180248342 1126841933 /nfs/dbraw/zinc/84/19/33/1126841933.db2.gz RCIKBAIDDLRFBK-NSHDSACASA-N 0 3 268.451 3.583 20 30 CHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000185764570 1126903171 /nfs/dbraw/zinc/90/31/71/1126903171.db2.gz GDCCPFGAONQANF-GMXVVIOVSA-N 0 3 264.319 3.698 20 30 CHEDHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000613255190 1126994337 /nfs/dbraw/zinc/99/43/37/1126994337.db2.gz XNHKVDZPENSBBB-BHPKHCPMSA-N 0 3 258.365 3.575 20 30 CHEDHN Cc1cscc1CNCc1ccc(C#N)c(C)c1 ZINC000487175627 1127021496 /nfs/dbraw/zinc/02/14/96/1127021496.db2.gz SWFVTIRWSUZIEY-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000271619336 1127094686 /nfs/dbraw/zinc/09/46/86/1127094686.db2.gz CUXIYEQTSQTMFA-KRWDZBQOSA-N 0 3 280.371 3.808 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000924844853 1127096180 /nfs/dbraw/zinc/09/61/80/1127096180.db2.gz CAHVCQXXAGHBGR-DJIMGWMZSA-N 0 3 286.419 3.825 20 30 CHEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000912345526 1127096550 /nfs/dbraw/zinc/09/65/50/1127096550.db2.gz WFWCPFLYOCPACR-DOMZBBRYSA-N 0 3 294.826 3.543 20 30 CHEDHN CN(Cc1ccc(F)c(Cl)c1)[C@H]1CC[C@H](C#N)C1 ZINC000339127792 1127114907 /nfs/dbraw/zinc/11/49/07/1127114907.db2.gz XTRJPOZBQOLIBW-JQWIXIFHSA-N 0 3 266.747 3.603 20 30 CHEDHN C[C@@H](CSC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000151148353 1127122742 /nfs/dbraw/zinc/12/27/42/1127122742.db2.gz JSIAMIPMLQKULS-NSHDSACASA-N 0 3 280.412 3.707 20 30 CHEDHN C=C(Cl)CNC1CC(c2cccc(Cl)c2)C1 ZINC000164038402 1127150277 /nfs/dbraw/zinc/15/02/77/1127150277.db2.gz QWNMSIWJEASBJG-UHFFFAOYSA-N 0 3 256.176 3.928 20 30 CHEDHN COc1ccc([C@@H](C)N(C)Cc2cccc(C#N)c2)cc1 ZINC000349790263 1127161143 /nfs/dbraw/zinc/16/11/43/1127161143.db2.gz JSNVAURTYFQCHK-CQSZACIVSA-N 0 3 280.371 3.760 20 30 CHEDHN C[C@H](CCC#N)N1CCC(Oc2ccccc2Cl)CC1 ZINC000351490185 1127189869 /nfs/dbraw/zinc/18/98/69/1127189869.db2.gz DYUWTLJIGLXIQX-CYBMUJFWSA-N 0 3 292.810 3.875 20 30 CHEDHN C=C[C@H](COC)NCc1ccc(-c2ccccc2)s1 ZINC001321242637 1127191950 /nfs/dbraw/zinc/19/19/50/1127191950.db2.gz YFCRDMHYTCOOEF-CQSZACIVSA-N 0 3 273.401 3.706 20 30 CHEDHN CC[C@@H](CC#N)NCCc1ccc(C(C)(C)C)cc1 ZINC000572475335 1127201119 /nfs/dbraw/zinc/20/11/19/1127201119.db2.gz HJNCPLZGSWQVEH-INIZCTEOSA-N 0 3 258.409 3.808 20 30 CHEDHN CC(C)[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)CC1 ZINC000589317782 1127218390 /nfs/dbraw/zinc/21/83/90/1127218390.db2.gz FEEQRRAHRJUNTR-CHWSQXEVSA-N 0 3 277.437 3.709 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccc(F)cc31)CC2 ZINC000589342411 1127218860 /nfs/dbraw/zinc/21/88/60/1127218860.db2.gz QRVDRTKXKQHPPX-RBUKOAKNSA-N 0 3 292.357 3.962 20 30 CHEDHN N#CC1(F)CCN(Cc2cccc3ccccc32)CC1 ZINC000352450614 1127233812 /nfs/dbraw/zinc/23/38/12/1127233812.db2.gz SBZFNUYLJZUKJK-UHFFFAOYSA-N 0 3 268.335 3.667 20 30 CHEDHN N#CC1(F)CCN(CCCSCc2ccccc2)CC1 ZINC000352485501 1127236337 /nfs/dbraw/zinc/23/63/37/1127236337.db2.gz YWFBWURRGHEHSO-UHFFFAOYSA-N 0 3 292.423 3.638 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285738360 1127242414 /nfs/dbraw/zinc/24/24/14/1127242414.db2.gz RGECNRMPJLZKPW-DCAQKATOSA-N 0 3 254.324 3.611 20 30 CHEDHN N#Cc1c(F)cccc1CN(C1CC1)C1CCCCC1 ZINC000589983786 1127243499 /nfs/dbraw/zinc/24/34/99/1127243499.db2.gz QIBXRZRPTMUAEA-UHFFFAOYSA-N 0 3 272.367 3.994 20 30 CHEDHN Cc1ccnc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000590123260 1127248369 /nfs/dbraw/zinc/24/83/69/1127248369.db2.gz KGVAKCWYTDEZIT-SFHVURJKSA-N 0 3 279.387 3.915 20 30 CHEDHN Cc1sccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000590188347 1127250644 /nfs/dbraw/zinc/25/06/44/1127250644.db2.gz VGUDLUUQCHLLRC-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C2(CC2)C1 ZINC001238083763 1131169716 /nfs/dbraw/zinc/16/97/16/1131169716.db2.gz AANYPMSGIFRAPJ-LLVKDONJSA-N 0 3 260.768 3.586 20 30 CHEDHN C=C(Br)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000057753253 1127278218 /nfs/dbraw/zinc/27/82/18/1127278218.db2.gz DCIIZRQSFZYHHE-RYUDHWBXSA-N 0 3 258.203 3.550 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000591852983 1127324691 /nfs/dbraw/zinc/32/46/91/1127324691.db2.gz NWRSKAOKMSETAG-OAHLLOKOSA-N 0 3 289.382 3.931 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(Br)cc1 ZINC000058337441 1127336050 /nfs/dbraw/zinc/33/60/50/1127336050.db2.gz MZYDCBPMCCQQBJ-UHFFFAOYSA-N 0 3 266.182 3.623 20 30 CHEDHN CC1(C)CCC[C@@H]1[C@@H]1CCN(C[C@@H](C#N)CCC#N)C1 ZINC000592154705 1127337950 /nfs/dbraw/zinc/33/79/50/1127337950.db2.gz TUMGTNTZTJVIMF-BZUAXINKSA-N 0 3 273.424 3.578 20 30 CHEDHN N#CC[C@@]1(O)CCN(Cc2ccc(C3CCCCC3)cc2)C1 ZINC000592151388 1127338130 /nfs/dbraw/zinc/33/81/30/1127338130.db2.gz OAVMXIPLXKSGHZ-LJQANCHMSA-N 0 3 298.430 3.585 20 30 CHEDHN N#CCc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000592391585 1127346882 /nfs/dbraw/zinc/34/68/82/1127346882.db2.gz CSEDUTDRVAJRBR-GOSISDBHSA-N 0 3 280.346 3.669 20 30 CHEDHN Cc1ccc([C@H](C)NCc2ccc(CC#N)cc2)c(C)n1 ZINC000592391421 1127347042 /nfs/dbraw/zinc/34/70/42/1127347042.db2.gz GUSRJTJIHADDBM-AWEZNQCLSA-N 0 3 279.387 3.615 20 30 CHEDHN COc1cc(CNC2(c3ccccc3C)CC2)ccc1C#N ZINC000592372862 1127343850 /nfs/dbraw/zinc/34/38/50/1127343850.db2.gz YDYNTUPLHIVNTD-UHFFFAOYSA-N 0 3 292.382 3.654 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593040617 1127368851 /nfs/dbraw/zinc/36/88/51/1127368851.db2.gz KWEWGOUNDNFVOG-QGZVFWFLSA-N 0 3 274.383 3.729 20 30 CHEDHN N#CCCCNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593113012 1127374175 /nfs/dbraw/zinc/37/41/75/1127374175.db2.gz VVGLPVMTAICYSY-UHFFFAOYSA-N 0 3 268.282 3.588 20 30 CHEDHN C=CC[C@H]1N(Cc2cnc([C@H](C)O)s2)CCCC1(C)C ZINC000289850649 1127384670 /nfs/dbraw/zinc/38/46/70/1127384670.db2.gz VKTLJYCVBJKOLW-GXTWGEPZSA-N 0 3 294.464 3.763 20 30 CHEDHN C=C[C@@H](CO)N[C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000289866345 1127385954 /nfs/dbraw/zinc/38/59/54/1127385954.db2.gz RFWSQKOYCUPHBM-SMDDNHRTSA-N 0 3 299.386 3.515 20 30 CHEDHN C#Cc1ccc(CN(CC)[C@H](C)c2cccnc2)cc1 ZINC000290436466 1127390773 /nfs/dbraw/zinc/39/07/73/1127390773.db2.gz LOYGOFQDEGEFDJ-OAHLLOKOSA-N 0 3 264.372 3.646 20 30 CHEDHN Cc1ccc(C2CC(NCC3(C#N)CCCC3)C2)cc1 ZINC000593653099 1127393175 /nfs/dbraw/zinc/39/31/75/1127393175.db2.gz BFZZXXBFQFMHJE-UHFFFAOYSA-N 0 3 268.404 3.915 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@@H](NCC2(C#N)CCCC2)CS1 ZINC000593655017 1127393297 /nfs/dbraw/zinc/39/32/97/1127393297.db2.gz VHVJJSNIJPOKLD-OLZOCXBDSA-N 0 3 266.454 3.580 20 30 CHEDHN C[C@@H](CCc1ccc(F)cc1F)NCC1(C#N)CCCC1 ZINC000593654583 1127394073 /nfs/dbraw/zinc/39/40/73/1127394073.db2.gz JEGCSTUPJHSXEX-ZDUSSCGKSA-N 0 3 292.373 3.959 20 30 CHEDHN C=C(CC)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000358622079 1127429301 /nfs/dbraw/zinc/42/93/01/1127429301.db2.gz DTBLXJGAPMAVBI-AWEZNQCLSA-N 0 3 265.422 3.695 20 30 CHEDHN C=C1CCN(CCOc2cccc3ccccc32)CC1 ZINC000594733827 1127430289 /nfs/dbraw/zinc/43/02/89/1127430289.db2.gz ATQQIJLJTDLTQR-UHFFFAOYSA-N 0 3 267.372 3.871 20 30 CHEDHN COc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594918275 1127435013 /nfs/dbraw/zinc/43/50/13/1127435013.db2.gz MZRAPPRWPSZMHK-UHFFFAOYSA-N 0 3 292.382 3.540 20 30 CHEDHN C=CCCSCCNCc1ccsc1Cl ZINC000594960544 1127440014 /nfs/dbraw/zinc/44/00/14/1127440014.db2.gz SFMDMEAHBXUJRY-UHFFFAOYSA-N 0 3 261.843 3.800 20 30 CHEDHN C[C@@H](CSCCF)N[C@@H](CCC#N)c1ccccc1 ZINC000595021985 1127442618 /nfs/dbraw/zinc/44/26/18/1127442618.db2.gz IQFDTTKUUJRZPK-ZFWWWQNUSA-N 0 3 280.412 3.712 20 30 CHEDHN N#CC1(CNC[C@@H]2C[C@H]2c2ccccc2)CCCCC1 ZINC000594981422 1127442938 /nfs/dbraw/zinc/44/29/38/1127442938.db2.gz OZGCRFCMGQKBDM-IRXDYDNUSA-N 0 3 268.404 3.854 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(OC3CC3)c2F)C1 ZINC000595069676 1127448162 /nfs/dbraw/zinc/44/81/62/1127448162.db2.gz QFPXODAFTYGUIM-TZMCWYRMSA-N 0 3 288.366 3.539 20 30 CHEDHN Cc1ccc2oc(CN[C@H]3CCC[C@@H](C#N)C3)cc2c1 ZINC000595085244 1127453461 /nfs/dbraw/zinc/45/34/61/1127453461.db2.gz JQNIPVKWCRBBGB-HIFRSBDPSA-N 0 3 268.360 3.913 20 30 CHEDHN COc1cccc2c1CC[C@@H](NCC1(C#N)CCCCC1)C2 ZINC000595092207 1127454721 /nfs/dbraw/zinc/45/47/21/1127454721.db2.gz ZGNZXSNGHLGWCT-MRXNPFEDSA-N 0 3 298.430 3.616 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000595092348 1127455002 /nfs/dbraw/zinc/45/50/02/1127455002.db2.gz URMZVELNANHXHB-KZULUSFZSA-N 0 3 278.355 3.602 20 30 CHEDHN C[C@@H](c1ccccc1F)N(C)CCc1ccc(C#N)cc1 ZINC000595298186 1127458105 /nfs/dbraw/zinc/45/81/05/1127458105.db2.gz PZFNSOLJSNGDIZ-AWEZNQCLSA-N 0 3 282.362 3.933 20 30 CHEDHN N#Cc1ccc(CCN2CC[C@H]2c2cccc(F)c2)cc1 ZINC000595342201 1127458807 /nfs/dbraw/zinc/45/88/07/1127458807.db2.gz LPJSCKYYEOKGLE-SFHVURJKSA-N 0 3 280.346 3.687 20 30 CHEDHN CC[C@@H](OCCN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595622882 1127468364 /nfs/dbraw/zinc/46/83/64/1127468364.db2.gz FHXZHAREMSKOGT-SJLPKXTDSA-N 0 3 286.419 3.780 20 30 CHEDHN CO[C@@H](CN1CCC[C@@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000595622886 1127468678 /nfs/dbraw/zinc/46/86/78/1127468678.db2.gz FJIZICUHSOVFNK-BBRMVZONSA-N 0 3 292.810 3.653 20 30 CHEDHN CO[C@H](CN1CCC[C@@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000595622889 1127468736 /nfs/dbraw/zinc/46/87/36/1127468736.db2.gz FJIZICUHSOVFNK-XJKSGUPXSA-N 0 3 292.810 3.653 20 30 CHEDHN CCCc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000595615031 1127471367 /nfs/dbraw/zinc/47/13/67/1127471367.db2.gz OHAHESXGFSGVIV-MRXNPFEDSA-N 0 3 256.393 3.765 20 30 CHEDHN COc1ccc([C@H]2CCCN2CCC(C)(C)C#N)cc1F ZINC000595754199 1127475349 /nfs/dbraw/zinc/47/53/49/1127475349.db2.gz WQJCJBAJCAKMMS-OAHLLOKOSA-N 0 3 290.382 3.911 20 30 CHEDHN CC1(C#N)CCC(N[C@H](CF)c2ccc(F)cc2)CC1 ZINC000601318945 1127521313 /nfs/dbraw/zinc/52/13/13/1127521313.db2.gz VDSKRJDYNCUDBR-HWOWSKLDSA-N 0 3 278.346 3.898 20 30 CHEDHN N#CC1(c2ccc(CN3CCC[C@H]3c3ccc[nH]3)cc2)CC1 ZINC000596982970 1127523896 /nfs/dbraw/zinc/52/38/96/1127523896.db2.gz AKLICXGTGJEMKR-SFHVURJKSA-N 0 3 291.398 3.907 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](CC)Cc1ccc(Cl)cc1 ZINC000597086972 1127527966 /nfs/dbraw/zinc/52/79/66/1127527966.db2.gz QANIABFDMHAXMO-GJZGRUSLSA-N 0 3 264.800 3.943 20 30 CHEDHN CCn1ccc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000597112943 1127527999 /nfs/dbraw/zinc/52/79/99/1127527999.db2.gz IDBINHCGFCCMIP-UHFFFAOYSA-N 0 3 293.414 3.695 20 30 CHEDHN CC[C@H](CC#N)N[C@H](CC)Cc1ccc(Cl)cc1 ZINC000597086973 1127528450 /nfs/dbraw/zinc/52/84/50/1127528450.db2.gz QANIABFDMHAXMO-HUUCEWRRSA-N 0 3 264.800 3.943 20 30 CHEDHN C/C(=C\c1ccccc1)CN1CCC[C@H](CC#N)C1 ZINC000597173351 1127531698 /nfs/dbraw/zinc/53/16/98/1127531698.db2.gz JFAJXSVRNNQQOP-OKACTXMXSA-N 0 3 254.377 3.716 20 30 CHEDHN C[C@@]1(c2ccccc2)CC[C@@H](N2CC[C@](C)(C#N)C2)C1 ZINC000597229956 1127534594 /nfs/dbraw/zinc/53/45/94/1127534594.db2.gz CXQXNNJXXRJXAD-KZNAEPCWSA-N 0 3 268.404 3.732 20 30 CHEDHN CC(C)[C@@H](CN1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597231749 1127535876 /nfs/dbraw/zinc/53/58/76/1127535876.db2.gz ONVGGLHKZJLKAG-IAGOWNOFSA-N 0 3 256.393 3.662 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361190383 1127546201 /nfs/dbraw/zinc/54/62/01/1127546201.db2.gz PAQHJOJBNJFMIM-MJVIPROJSA-N 0 3 281.346 3.979 20 30 CHEDHN CC[C@H](CNCc1cccc(F)c1C#N)CC(F)(F)F ZINC000602020251 1127556609 /nfs/dbraw/zinc/55/66/09/1127556609.db2.gz OFOTVTASGKYHGK-JTQLQIEISA-N 0 3 288.288 3.766 20 30 CHEDHN C[C@@H](CCC#N)CN(Cc1ccc(F)cc1F)C1CC1 ZINC000602442098 1127579721 /nfs/dbraw/zinc/57/97/21/1127579721.db2.gz UREWNSBYMDNCDU-LBPRGKRZSA-N 0 3 278.346 3.869 20 30 CHEDHN C[C@@H](CCC#N)CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000602442325 1127580070 /nfs/dbraw/zinc/58/00/70/1127580070.db2.gz LYBQEQHESPEXAB-QFBILLFUSA-N 0 3 293.414 3.833 20 30 CHEDHN N#CC1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000602499578 1127587255 /nfs/dbraw/zinc/58/72/55/1127587255.db2.gz QGSXUWILIKHWLU-KVWWFHCMSA-N 0 3 291.398 3.843 20 30 CHEDHN N#Cc1ccc(CN2CCCC3(CCCC3)C2)cc1F ZINC000361848694 1127594050 /nfs/dbraw/zinc/59/40/50/1127594050.db2.gz BKKDNNPJKAPLPW-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1c[nH]c2ccccc12 ZINC000602609262 1127599323 /nfs/dbraw/zinc/59/93/23/1127599323.db2.gz AOPWMYVMYHRXJF-ZFWWWQNUSA-N 0 3 269.392 3.771 20 30 CHEDHN C[C@@H](CCC#N)CN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000602642002 1127599802 /nfs/dbraw/zinc/59/98/02/1127599802.db2.gz WXMPALQAMNOYAU-IUCAKERBSA-N 0 3 291.342 3.752 20 30 CHEDHN C[C@H](CCC#N)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000602681291 1127606358 /nfs/dbraw/zinc/60/63/58/1127606358.db2.gz NLZOQQKEAOFXQO-UKRRQHHQSA-N 0 3 258.365 3.746 20 30 CHEDHN COc1ccc([C@H](NC[C@H](C)CCC#N)c2ccco2)cc1 ZINC000602686349 1127604134 /nfs/dbraw/zinc/60/41/34/1127604134.db2.gz PLTHPBXZANLIQV-KDOFPFPSSA-N 0 3 298.386 3.907 20 30 CHEDHN C[C@H]1SCCN(CC2(CC#N)CC2)[C@H]1c1ccccc1 ZINC000602778516 1127613313 /nfs/dbraw/zinc/61/33/13/1127613313.db2.gz GYOLFRUVWYZLAQ-GDBMZVCRSA-N 0 3 286.444 3.859 20 30 CHEDHN Cc1cc(C)c(CN[C@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000602797990 1127614764 /nfs/dbraw/zinc/61/47/64/1127614764.db2.gz DXNFLYJKCOTGFN-CQSZACIVSA-N 0 3 279.387 3.729 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000602880961 1127619097 /nfs/dbraw/zinc/61/90/97/1127619097.db2.gz PCPJNBFVFDKTTN-KRWDZBQOSA-N 0 3 294.402 3.548 20 30 CHEDHN CC[C@](C)(NCc1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000602924222 1127622444 /nfs/dbraw/zinc/62/24/44/1127622444.db2.gz MKCKZPCJVGCVCW-KRWDZBQOSA-N 0 3 283.350 3.507 20 30 CHEDHN CC[C@H](CC#N)NCCCCc1cccc(Cl)c1 ZINC000598621234 1127628141 /nfs/dbraw/zinc/62/81/41/1127628141.db2.gz SQLJTIMJDMFKGE-OAHLLOKOSA-N 0 3 264.800 3.945 20 30 CHEDHN C=CC(C)(C)CCNCc1ncc(CSC)s1 ZINC000598985313 1127650153 /nfs/dbraw/zinc/65/01/53/1127650153.db2.gz NCLKQAOUZAGSTC-UHFFFAOYSA-N 0 3 270.467 3.698 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2csc(C(F)(F)F)c2)C1 ZINC000599087566 1127656404 /nfs/dbraw/zinc/65/64/04/1127656404.db2.gz KPAXJDSELTZHPV-ONGXEEELSA-N 0 3 288.338 3.939 20 30 CHEDHN Cc1ccc(CN2CCC(OC(C)(C)C)CC2)cc1C#N ZINC000599310791 1127666401 /nfs/dbraw/zinc/66/64/01/1127666401.db2.gz CQMTUMAOYNZPLP-UHFFFAOYSA-N 0 3 286.419 3.646 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C)c(C#N)c2)cc1F ZINC000599344331 1127668547 /nfs/dbraw/zinc/66/85/47/1127668547.db2.gz CDYFSRRDDYJNPJ-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN Cc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)cc1C#N ZINC000599364544 1127670117 /nfs/dbraw/zinc/67/01/17/1127670117.db2.gz LQUKWBVJSOZHLB-KUHUBIRLSA-N 0 3 291.398 3.845 20 30 CHEDHN Cc1ccc(CN2CCC(c3ccco3)CC2)cc1C#N ZINC000599470564 1127673065 /nfs/dbraw/zinc/67/30/65/1127673065.db2.gz SHGRDTGCZTVRAE-UHFFFAOYSA-N 0 3 280.371 3.839 20 30 CHEDHN N#C[C@H]1CC[C@H](N2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000599635515 1127683754 /nfs/dbraw/zinc/68/37/54/1127683754.db2.gz RIHPFLBTDIUWDC-NHYWBVRUSA-N 0 3 294.320 3.756 20 30 CHEDHN C[C@H](CN(C)C[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000599632752 1127684020 /nfs/dbraw/zinc/68/40/20/1127684020.db2.gz CJQLCVCHROCXEB-HUUCEWRRSA-N 0 3 261.413 3.578 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000599635514 1127684250 /nfs/dbraw/zinc/68/42/50/1127684250.db2.gz RIHPFLBTDIUWDC-IAQYHMDHSA-N 0 3 294.320 3.756 20 30 CHEDHN Cc1ccsc1CN(C)Cc1ccc(C#N)cc1 ZINC000061798642 1127718368 /nfs/dbraw/zinc/71/83/68/1127718368.db2.gz XRUNOTKOGKRRCU-UHFFFAOYSA-N 0 3 256.374 3.560 20 30 CHEDHN C#CCOc1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000172112896 1127747180 /nfs/dbraw/zinc/74/71/80/1127747180.db2.gz FHKOSNVCIDYXDI-UHFFFAOYSA-N 0 3 291.803 3.703 20 30 CHEDHN C=CCN1CCC(NC(=O)[C@@H](CC)CCCCCC)CC1 ZINC000172291559 1127752701 /nfs/dbraw/zinc/75/27/01/1127752701.db2.gz UJTBJLKGPMUFMJ-INIZCTEOSA-N 0 3 294.483 3.750 20 30 CHEDHN N#Cc1ccc2c(c1)CN(C[C@H]1CCc3ccccc3C1)C2 ZINC000594028856 1127770788 /nfs/dbraw/zinc/77/07/88/1127770788.db2.gz ZWNPHASYFBADKV-INIZCTEOSA-N 0 3 288.394 3.679 20 30 CHEDHN CN(CCC1(C#N)CCCCC1)[C@@H](CO)c1ccccc1 ZINC000411228620 1127849163 /nfs/dbraw/zinc/84/91/63/1127849163.db2.gz SLRLUZATIDUWMF-KRWDZBQOSA-N 0 3 286.419 3.516 20 30 CHEDHN C[C@@H]1CCC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000174014608 1127866589 /nfs/dbraw/zinc/86/65/89/1127866589.db2.gz QJUSMPXEIAFHEY-JHJVBQTASA-N 0 3 282.343 3.830 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000412018073 1127890479 /nfs/dbraw/zinc/89/04/79/1127890479.db2.gz ZIIBRBMTQPFIEC-BPQIPLTHSA-N 0 3 296.414 3.532 20 30 CHEDHN C[C@@H](CN(C)Cc1ccccc1C#N)c1ccccc1 ZINC000608976576 1127896783 /nfs/dbraw/zinc/89/67/83/1127896783.db2.gz AFRURIDCBNQVNK-HNNXBMFYSA-N 0 3 264.372 3.794 20 30 CHEDHN C=CCN(Cc1ccc(Br)cc1)C1CC1 ZINC000540059400 1127958964 /nfs/dbraw/zinc/95/89/64/1127958964.db2.gz KMNNYERVLBNTIW-UHFFFAOYSA-N 0 3 266.182 3.600 20 30 CHEDHN C=CCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000467291419 1127962649 /nfs/dbraw/zinc/96/26/49/1127962649.db2.gz NAHLOAUDCZOKOA-UHFFFAOYSA-N 0 3 267.294 3.565 20 30 CHEDHN C=CCCN(C)Cc1ccc(Br)cc1F ZINC000467300528 1127964190 /nfs/dbraw/zinc/96/41/90/1127964190.db2.gz FFNSHBMYQHNSEF-UHFFFAOYSA-N 0 3 272.161 3.596 20 30 CHEDHN C=CC[C@@H](CC)N[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000467412910 1127967995 /nfs/dbraw/zinc/96/79/95/1127967995.db2.gz KRIJSMXDFGKPTN-GOEBONIOSA-N 0 3 298.434 3.889 20 30 CHEDHN CC(C)[C@H](c1ccccc1)N(C)Cc1cncc(C#N)c1 ZINC000929632471 1127994468 /nfs/dbraw/zinc/99/44/68/1127994468.db2.gz XKEJTXULYIYORS-GOSISDBHSA-N 0 3 279.387 3.782 20 30 CHEDHN N#Cc1cc(CN2CC[C@H](c3ccc(F)cc3)C2)ccc1F ZINC000468285699 1128001523 /nfs/dbraw/zinc/00/15/23/1128001523.db2.gz KKIQQUZAMULGTA-HNNXBMFYSA-N 0 3 298.336 3.826 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000542209319 1128057322 /nfs/dbraw/zinc/05/73/22/1128057322.db2.gz CIBIQRGGXJGJPS-UHFFFAOYSA-N 0 3 276.383 3.941 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470944733 1128082165 /nfs/dbraw/zinc/08/21/65/1128082165.db2.gz JSUFXJDTHSMYPR-SUNKGSAMSA-N 0 3 282.309 3.892 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1cc2ccccc2o1 ZINC000924744387 1128111796 /nfs/dbraw/zinc/11/17/96/1128111796.db2.gz AIBFYKKJVJTLAF-GFCCVEGCSA-N 0 3 256.349 3.851 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccsc2)cc1 ZINC000800889745 1128127347 /nfs/dbraw/zinc/12/73/47/1128127347.db2.gz WNONSFDJKAXZTL-CHWSQXEVSA-N 0 3 286.400 3.890 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NC1(c2cccc(F)c2)CC1 ZINC000925878921 1128144672 /nfs/dbraw/zinc/14/46/72/1128144672.db2.gz OJXHERIKXBLQLR-LBPRGKRZSA-N 0 3 260.356 3.733 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCCOc2c(F)cccc21 ZINC000926112155 1128155322 /nfs/dbraw/zinc/15/53/22/1128155322.db2.gz NASMPSSENMXYNB-WFASDCNBSA-N 0 3 290.382 3.957 20 30 CHEDHN C=C(CC)CN[C@H]1CCCc2c(Cl)ccnc21 ZINC000926549260 1128180128 /nfs/dbraw/zinc/18/01/28/1128180128.db2.gz GRGGELHRRIERFW-ZDUSSCGKSA-N 0 3 250.773 3.668 20 30 CHEDHN C=CCN(C)Cc1cccc(OCc2ccccc2)c1 ZINC000494652465 1128184194 /nfs/dbraw/zinc/18/41/94/1128184194.db2.gz IKXOLSHEXBOPKS-UHFFFAOYSA-N 0 3 267.372 3.883 20 30 CHEDHN C[C@@H](Cc1cccc(F)c1)N1CCc2cc(C#N)ccc2C1 ZINC001168481891 1128250283 /nfs/dbraw/zinc/25/02/83/1128250283.db2.gz RQGOCOOBABWCPY-AWEZNQCLSA-N 0 3 294.373 3.687 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)c(C)n1 ZINC000926967643 1128206409 /nfs/dbraw/zinc/20/64/09/1128206409.db2.gz WEVKDLOPPQKUCU-CQSZACIVSA-N 0 3 279.387 3.729 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2ccccc2N(C)C)cc1C#N ZINC000926963826 1128206976 /nfs/dbraw/zinc/20/69/76/1128206976.db2.gz HILKQTMCUYTVSV-OAHLLOKOSA-N 0 3 293.414 3.784 20 30 CHEDHN CC[C@@H](NCc1cccc2c1OCC2)c1ccc(C#N)cc1 ZINC000927089886 1128216883 /nfs/dbraw/zinc/21/68/83/1128216883.db2.gz GVMQDWOJRLUPLT-GOSISDBHSA-N 0 3 292.382 3.734 20 30 CHEDHN C=CCN(C/C=C\c1ccncc1)Cc1ccc(OC)cc1 ZINC000495170334 1128240927 /nfs/dbraw/zinc/24/09/27/1128240927.db2.gz CPGVOPHFXZBAPG-PLNGDYQASA-N 0 3 294.398 3.792 20 30 CHEDHN CC(C)Cc1ccccc1CN1CCC(C#N)CC1 ZINC000929414746 1128273801 /nfs/dbraw/zinc/27/38/01/1128273801.db2.gz HZEBIEXASBSYIY-UHFFFAOYSA-N 0 3 256.393 3.621 20 30 CHEDHN CC(C)CN(CCC#N)CCCCC1(C#N)CCC1 ZINC000929688995 1128282093 /nfs/dbraw/zinc/28/20/93/1128282093.db2.gz YXYGYRBRFJXEOV-UHFFFAOYSA-N 0 3 261.413 3.722 20 30 CHEDHN Cc1cccc(C2(NCc3cncc(C#N)c3)CCCC2)c1 ZINC000929962401 1128295739 /nfs/dbraw/zinc/29/57/39/1128295739.db2.gz KMXVFEBPFYRPNZ-UHFFFAOYSA-N 0 3 291.398 3.821 20 30 CHEDHN COc1cccc(C2(N[C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000272310461 1128325582 /nfs/dbraw/zinc/32/55/82/1128325582.db2.gz TUCHCMIEUGXUDN-AWEZNQCLSA-N 0 3 292.382 3.907 20 30 CHEDHN N#CCC1CCN(CCc2ccccc2Cl)CC1 ZINC000561606728 1128341095 /nfs/dbraw/zinc/34/10/95/1128341095.db2.gz FXHNVAGRINUUIP-UHFFFAOYSA-N 0 3 262.784 3.508 20 30 CHEDHN CC[C@@H](NCc1cncc(C#N)c1)c1cc(C)ccc1C ZINC000931261556 1128354606 /nfs/dbraw/zinc/35/46/06/1128354606.db2.gz BLOGZQIOCGUFAX-GOSISDBHSA-N 0 3 279.387 3.811 20 30 CHEDHN CC1(C2CC2)CCN(Cc2ccc(C#N)s2)CC1 ZINC000562204544 1128385965 /nfs/dbraw/zinc/38/59/65/1128385965.db2.gz FHFCWEOUIOEGDK-UHFFFAOYSA-N 0 3 260.406 3.632 20 30 CHEDHN C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccncc1C#N ZINC000932274476 1128401958 /nfs/dbraw/zinc/40/19/58/1128401958.db2.gz HTIONDPHEFNCSG-DNVCBOLYSA-N 0 3 291.398 3.721 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)Cc2ccccc21 ZINC000916152743 1128410055 /nfs/dbraw/zinc/41/00/55/1128410055.db2.gz XRFPNRBOAKEXBR-AWEZNQCLSA-N 0 3 262.356 3.678 20 30 CHEDHN CC[C@H](N[C@@H](C)CCC#N)c1cc(F)ccc1OC ZINC000932475098 1128411981 /nfs/dbraw/zinc/41/19/81/1128411981.db2.gz RZVCBFCHOVFWNA-FZMZJTMJSA-N 0 3 264.344 3.567 20 30 CHEDHN Cc1ccnc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000933612429 1128438889 /nfs/dbraw/zinc/43/88/89/1128438889.db2.gz QXOFXWVHBRXFMY-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN Cc1ncsc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613093 1128439229 /nfs/dbraw/zinc/43/92/29/1128439229.db2.gz VKHUAWXRRFFTFK-UHFFFAOYSA-N 0 3 297.427 3.703 20 30 CHEDHN C[C@H](CCC#N)N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933658141 1128439759 /nfs/dbraw/zinc/43/97/59/1128439759.db2.gz WOLKEYRWNWSKCF-QAPCUYQASA-N 0 3 282.387 3.619 20 30 CHEDHN C#CCCCCCCN(C)Cc1cc(C#N)cs1 ZINC000933770255 1128442812 /nfs/dbraw/zinc/44/28/12/1128442812.db2.gz MFLKQLGZAIQYAB-UHFFFAOYSA-N 0 3 260.406 3.635 20 30 CHEDHN C=CC[C@H]1CCN1Cc1cc(F)cc2cccnc21 ZINC000934469874 1128460978 /nfs/dbraw/zinc/46/09/78/1128460978.db2.gz INMFOLOOCJTGDB-HNNXBMFYSA-N 0 3 256.324 3.524 20 30 CHEDHN N#Cc1cc(Cl)cc(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934697806 1128467239 /nfs/dbraw/zinc/46/72/39/1128467239.db2.gz KXFASZZRVCCNNA-QGZVFWFLSA-N 0 3 297.789 3.848 20 30 CHEDHN C[C@H]1C[C@H](CCNCc2nc(C#N)cs2)CC(C)(C)C1 ZINC000566590886 1128547102 /nfs/dbraw/zinc/54/71/02/1128547102.db2.gz LSESYHPWNMQEGH-STQMWFEESA-N 0 3 291.464 3.957 20 30 CHEDHN Cc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041543772 1128547149 /nfs/dbraw/zinc/54/71/49/1128547149.db2.gz NXQKIFYCBSYVBP-CQSZACIVSA-N 0 3 290.322 3.555 20 30 CHEDHN C=CCCCC[C@H](C)NCc1ncc(CC)s1 ZINC000567057970 1128556678 /nfs/dbraw/zinc/55/66/78/1128556678.db2.gz YZDDLNGOJHRPKL-LBPRGKRZSA-N 0 3 252.427 3.930 20 30 CHEDHN C[C@@H]1CN(CCOc2ccccc2C#N)Cc2ccccc21 ZINC000918734880 1128569394 /nfs/dbraw/zinc/56/93/94/1128569394.db2.gz GEWBIKCXJQLKCC-OAHLLOKOSA-N 0 3 292.382 3.556 20 30 CHEDHN C[C@@H](C#N)CNCC(Cc1ccccc1)Cc1ccccc1 ZINC000569751771 1128608948 /nfs/dbraw/zinc/60/89/48/1128608948.db2.gz WWPKVZMZAOHYSD-KRWDZBQOSA-N 0 3 292.426 3.837 20 30 CHEDHN C[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 ZINC000570222506 1128618335 /nfs/dbraw/zinc/61/83/35/1128618335.db2.gz BLYRFFKNOJESTP-KXBFYZLASA-N 0 3 291.398 3.926 20 30 CHEDHN C=C(Br)CN1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000919647825 1128618719 /nfs/dbraw/zinc/61/87/19/1128618719.db2.gz TWQTXMNVVKCUOM-WCFLWFBJSA-N 0 3 272.230 3.796 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN(C)[C@@H](C)c1ccncc1 ZINC000930118338 1128665519 /nfs/dbraw/zinc/66/55/19/1128665519.db2.gz DAEFZKXYSSOLEG-HNNXBMFYSA-N 0 3 279.387 3.763 20 30 CHEDHN CC1(C)CC(/N=C\c2cc(Cl)ccc2[O-])CC(C)(C)[NH2+]1 ZINC000920946200 1128696395 /nfs/dbraw/zinc/69/63/95/1128696395.db2.gz RIQOYWHZYKGCLN-ZDLGFXPLSA-N 0 3 294.826 3.774 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2ncccc21)c1ccc(C#N)cc1 ZINC000601264850 1128707059 /nfs/dbraw/zinc/70/70/59/1128707059.db2.gz ILAOKXGJUOHHTF-ACJLOTCBSA-N 0 3 277.371 3.681 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2ncccc21)c1cccc(C#N)c1 ZINC000601267393 1128707462 /nfs/dbraw/zinc/70/74/62/1128707462.db2.gz XGEJWJNOIKLQTH-ACJLOTCBSA-N 0 3 277.371 3.681 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1CCOc2ccccc21 ZINC000921487820 1128710909 /nfs/dbraw/zinc/71/09/09/1128710909.db2.gz YBYROWDXQOKQKF-GOSISDBHSA-N 0 3 292.382 3.789 20 30 CHEDHN N#CCOc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000175006953 1128714401 /nfs/dbraw/zinc/71/44/01/1128714401.db2.gz KWBDOJHCXOQNLJ-GOSISDBHSA-N 0 3 296.345 3.505 20 30 CHEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000186708259 1117770550 /nfs/dbraw/zinc/77/05/50/1117770550.db2.gz VODMDSSOXMYEOL-DZGCQCFKSA-N 0 3 271.360 3.534 20 30 CHEDHN N#Cc1cc(CN2CC[C@H]3CCC[C@@H]3C2)ccc1Cl ZINC001238188369 1117816546 /nfs/dbraw/zinc/81/65/46/1117816546.db2.gz BKDWBSREVZXIPH-ZIAGYGMSSA-N 0 3 274.795 3.834 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc(C)c2)c1 ZINC000073012412 1117866945 /nfs/dbraw/zinc/86/69/45/1117866945.db2.gz PEUYEFOXYBVLMI-GOSISDBHSA-N 0 3 294.398 3.966 20 30 CHEDHN CC(C)(CCN1CC[C@](C)(C#N)C1)c1ccccc1 ZINC001208670084 1117904503 /nfs/dbraw/zinc/90/45/03/1117904503.db2.gz VMLUDLGPFPWQMS-QGZVFWFLSA-N 0 3 256.393 3.590 20 30 CHEDHN CC(C)[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000446741501 1117930457 /nfs/dbraw/zinc/93/04/57/1117930457.db2.gz NDUVJKSSKBRXSC-CYBMUJFWSA-N 0 3 294.345 3.638 20 30 CHEDHN N#Cc1ccc(F)cc1CN1CCC[C@H]1C1CCCC1 ZINC000229958026 1117962168 /nfs/dbraw/zinc/96/21/68/1117962168.db2.gz NBNHWAKDZXDAPD-KRWDZBQOSA-N 0 3 272.367 3.852 20 30 CHEDHN C=CCCCN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623974984 1117964872 /nfs/dbraw/zinc/96/48/72/1117964872.db2.gz VVVZIJQOQOQRSB-CQSZACIVSA-N 0 3 269.392 3.704 20 30 CHEDHN CC(C)(C#N)CCCCN1CCOC[C@@H]1CC1CCC1 ZINC000339771620 1117972999 /nfs/dbraw/zinc/97/29/99/1117972999.db2.gz KADRNNIZGRPVCC-INIZCTEOSA-N 0 3 278.440 3.597 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](CCC)c1ccc(F)cc1F ZINC000181675235 1118003921 /nfs/dbraw/zinc/00/39/21/1118003921.db2.gz NSYBCSZAWPNREN-CJNGLKHVSA-N 0 3 283.362 3.723 20 30 CHEDHN C=CCCN(Cc1cnc2ccccn12)Cc1ccccc1 ZINC001203153131 1118098658 /nfs/dbraw/zinc/09/86/58/1118098658.db2.gz ANMIJXVHGRTXLW-UHFFFAOYSA-N 0 3 291.398 3.913 20 30 CHEDHN CC(C)c1ccc(CCNCC2(C#N)CCC2)cc1 ZINC000258971716 1118136381 /nfs/dbraw/zinc/13/63/81/1118136381.db2.gz SZHBIAFDPGBOPY-UHFFFAOYSA-N 0 3 256.393 3.636 20 30 CHEDHN N#Cc1cccc(CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000171991451 1118164231 /nfs/dbraw/zinc/16/42/31/1118164231.db2.gz IHZBIWQCCSZTNZ-UHFFFAOYSA-N 0 3 292.382 3.676 20 30 CHEDHN CN(Cc1c[nH]c2cc(C#N)ccc12)Cc1ccc(F)cc1 ZINC001142911941 1118166762 /nfs/dbraw/zinc/16/67/62/1118166762.db2.gz PDBFSBANDASHIQ-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(C)c(C#N)c1 ZINC000599337529 1118178914 /nfs/dbraw/zinc/17/89/14/1118178914.db2.gz BDTWLRRDVZGQDI-GOSISDBHSA-N 0 3 279.387 3.845 20 30 CHEDHN C=CCNCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000655703213 1118189343 /nfs/dbraw/zinc/18/93/43/1118189343.db2.gz BYHNETGAFJBRAS-UHFFFAOYSA-N 0 3 258.390 3.703 20 30 CHEDHN COc1ccc([C@@H](NCc2ccc(C#N)s2)C2CC2)cc1 ZINC000176943740 1118201693 /nfs/dbraw/zinc/20/16/93/1118201693.db2.gz NGYPHFXZEIAQTF-KRWDZBQOSA-N 0 3 298.411 3.869 20 30 CHEDHN CCN(CCOc1ccccc1C#N)Cc1cccs1 ZINC000048554200 1118265653 /nfs/dbraw/zinc/26/56/53/1118265653.db2.gz SFIUIHLEBDRNLL-UHFFFAOYSA-N 0 3 286.400 3.521 20 30 CHEDHN C[C@@H](C#N)OCCN(Cc1ccccc1)Cc1ccccc1 ZINC000307495054 1118303835 /nfs/dbraw/zinc/30/38/35/1118303835.db2.gz IENSUSHYRJVRNV-KRWDZBQOSA-N 0 3 294.398 3.617 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(Br)c(F)c1 ZINC001140212967 1118315931 /nfs/dbraw/zinc/31/59/31/1118315931.db2.gz MFCFGSABYHBTDK-UHFFFAOYSA-N 0 3 286.188 3.986 20 30 CHEDHN C[C@@H](NCc1ccc2cccnc2c1)c1cccc(C#N)c1 ZINC000610344965 1118337371 /nfs/dbraw/zinc/33/73/71/1118337371.db2.gz PFXXQHTZAAIOIF-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN C=CCOc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000610344621 1118337748 /nfs/dbraw/zinc/33/77/48/1118337748.db2.gz AWGLZKFLAQMBGM-HNNXBMFYSA-N 0 3 292.382 3.974 20 30 CHEDHN N#Cc1c(CN2C3CCCC2CCC3)cn2ccccc12 ZINC000610370157 1118362254 /nfs/dbraw/zinc/36/22/54/1118362254.db2.gz ZDLKXSZXBNAHRM-UHFFFAOYSA-N 0 3 279.387 3.718 20 30 CHEDHN C=CCCCCN[C@@H](C)c1nc(Br)cs1 ZINC000834770910 1118552110 /nfs/dbraw/zinc/55/21/10/1118552110.db2.gz ZYENCYJMNINWTQ-VIFPVBQESA-N 0 3 289.242 3.913 20 30 CHEDHN C#CCOc1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000160965767 1118630678 /nfs/dbraw/zinc/63/06/78/1118630678.db2.gz QLQBWBAEBRSKAH-QGZVFWFLSA-N 0 3 297.423 3.927 20 30 CHEDHN Cc1cc(C)c(CNC(C)(C)c2cccc(C#N)c2)c(C)n1 ZINC000602880197 1118636999 /nfs/dbraw/zinc/63/69/99/1118636999.db2.gz NWRWCOIUAOEWLC-UHFFFAOYSA-N 0 3 293.414 3.903 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)c1cccc(C)c1)c1ccco1 ZINC000796835076 1118641755 /nfs/dbraw/zinc/64/17/55/1118641755.db2.gz KAYBBXRODONQTG-SJORKVTESA-N 0 3 285.387 3.919 20 30 CHEDHN C[C@@H]1CC[C@@H](C)N(CC#Cc2cccc(Cl)c2)C1 ZINC001167483266 1118696916 /nfs/dbraw/zinc/69/69/16/1118696916.db2.gz VHSVABWROUAAES-ZIAGYGMSSA-N 0 3 261.796 3.812 20 30 CHEDHN Clc1cccc(C#CCN2CCC3(CCCC3)C2)c1 ZINC001167486731 1118712938 /nfs/dbraw/zinc/71/29/38/1118712938.db2.gz BJKZEFGGBRXSOB-UHFFFAOYSA-N 0 3 273.807 3.958 20 30 CHEDHN C=CCc1cc(CN2CCCC(C)(C)C2)cc(OC)c1O ZINC000510537245 1118766556 /nfs/dbraw/zinc/76/65/56/1118766556.db2.gz HJTICPZTFGEAFQ-UHFFFAOYSA-N 0 3 289.419 3.751 20 30 CHEDHN Cc1cc([C@@H](C)NCc2ccc(C#N)cc2)ccc1F ZINC000610583443 1118779482 /nfs/dbraw/zinc/77/94/82/1118779482.db2.gz JBFQJJWZWXKCBR-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN Cc1ccc2[nH]c(CNCc3cccc(C#N)c3)cc2c1C ZINC000472044841 1118947133 /nfs/dbraw/zinc/94/71/33/1118947133.db2.gz OWPVFGOZNHAZOK-UHFFFAOYSA-N 0 3 289.382 3.946 20 30 CHEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(C)(C)C#N ZINC000157522793 1118982080 /nfs/dbraw/zinc/98/20/80/1118982080.db2.gz LQIYYQXIKONGGG-GFCCVEGCSA-N 0 3 276.428 3.537 20 30 CHEDHN C=C(C)CNCc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000119627326 1118994908 /nfs/dbraw/zinc/99/49/08/1118994908.db2.gz CJLPMJQKLKIPDH-UHFFFAOYSA-N 0 3 289.810 3.808 20 30 CHEDHN CCN(Cc1cccc(O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000119873725 1119019118 /nfs/dbraw/zinc/01/91/18/1119019118.db2.gz MNJVBCMVHKVXMB-CQSZACIVSA-N 0 3 280.371 3.847 20 30 CHEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2csc(C#N)c2)C1 ZINC000892197653 1119019593 /nfs/dbraw/zinc/01/95/93/1119019593.db2.gz UPLISMFMXTWBPF-CHWSQXEVSA-N 0 3 280.462 3.726 20 30 CHEDHN CCSCC[C@H](C)N(C)Cc1csc(C#N)c1 ZINC000892200333 1119022060 /nfs/dbraw/zinc/02/20/60/1119022060.db2.gz FIHMSPDPJDKMLJ-NSHDSACASA-N 0 3 268.451 3.583 20 30 CHEDHN C=CC[C@@H]1CCN1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000934464620 1119078682 /nfs/dbraw/zinc/07/86/82/1119078682.db2.gz GNZDPPDXUVZFQP-CQSZACIVSA-N 0 3 290.432 3.611 20 30 CHEDHN N#CCCN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000342845685 1119207002 /nfs/dbraw/zinc/20/70/02/1119207002.db2.gz KDDJDKMNCILIJP-UONOGXRCSA-N 0 3 282.309 3.845 20 30 CHEDHN C=CCCC[C@H](C)N(C)CC(=O)Nc1cccc(C)c1C ZINC000091508199 1119257850 /nfs/dbraw/zinc/25/78/50/1119257850.db2.gz XLATZUNCNMXEBU-HNNXBMFYSA-N 0 3 288.435 3.919 20 30 CHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C2CC2)C1 ZINC000329677643 1119477038 /nfs/dbraw/zinc/47/70/38/1119477038.db2.gz WRHYOBDMXOLXNN-XJKSGUPXSA-N 0 3 297.402 3.657 20 30 CHEDHN N#CCc1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000343685932 1119485689 /nfs/dbraw/zinc/48/56/89/1119485689.db2.gz ITRMQSBGEYVVEC-UHFFFAOYSA-N 0 3 262.356 3.532 20 30 CHEDHN C[C@H]1CCC[C@@H](N(C)Cc2ccc(F)cc2C#N)C1 ZINC000343731022 1119497119 /nfs/dbraw/zinc/49/71/19/1119497119.db2.gz YRTDQWGWTHVWNG-BLLLJJGKSA-N 0 3 260.356 3.708 20 30 CHEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(CC#N)cc1 ZINC000343763666 1119512167 /nfs/dbraw/zinc/51/21/67/1119512167.db2.gz LWAQTJSHNAGHMS-GOSISDBHSA-N 0 3 279.387 3.731 20 30 CHEDHN C=CCCN[C@@H](C)c1ccc(OC)cc1Br ZINC000381375755 1119578207 /nfs/dbraw/zinc/57/82/07/1119578207.db2.gz JTHMXNLRJISMBQ-JTQLQIEISA-N 0 3 284.197 3.684 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cscn1 ZINC000658060766 1119674140 /nfs/dbraw/zinc/67/41/40/1119674140.db2.gz QEMOQXRPVKWUHI-JHJVBQTASA-N 0 3 250.411 3.929 20 30 CHEDHN CC[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1F ZINC000414160090 1119920624 /nfs/dbraw/zinc/92/06/24/1119920624.db2.gz CJPRVRAIKSYSGD-AWEZNQCLSA-N 0 3 266.335 3.945 20 30 CHEDHN COc1ccc(C)cc1[C@H](C)NCC(C)(C)CC#N ZINC000414162316 1119921669 /nfs/dbraw/zinc/92/16/69/1119921669.db2.gz GZCBXWXETSXORE-ZDUSSCGKSA-N 0 3 260.381 3.594 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1cc(F)cc(F)c1 ZINC000414162858 1119922074 /nfs/dbraw/zinc/92/20/74/1119922074.db2.gz HVORFGXUDCVKHL-JTQLQIEISA-N 0 3 252.308 3.555 20 30 CHEDHN COc1ccc(Cl)cc1[C@@H](C)NCC(C)(C)CC#N ZINC000414166620 1119924022 /nfs/dbraw/zinc/92/40/22/1119924022.db2.gz NZJYNXJJHDUROI-LLVKDONJSA-N 0 3 280.799 3.939 20 30 CHEDHN CC(C)N(Cc1cccc(C#N)c1Cl)C(C)C ZINC001140806322 1119956721 /nfs/dbraw/zinc/95/67/21/1119956721.db2.gz GFBBWFYDCJMLIC-UHFFFAOYSA-N 0 3 250.773 3.830 20 30 CHEDHN Cc1cncc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000613512261 1119958515 /nfs/dbraw/zinc/95/85/15/1119958515.db2.gz BZZKYACCUARDIB-KBPBESRZSA-N 0 3 265.360 3.674 20 30 CHEDHN COc1cc(F)cc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000180294768 1119976260 /nfs/dbraw/zinc/97/62/60/1119976260.db2.gz CZYBUKRCWHIWET-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccncc1 ZINC000186314285 1120023984 /nfs/dbraw/zinc/02/39/84/1120023984.db2.gz NTQZJPAFYPAUAA-SFHVURJKSA-N 0 3 277.371 3.599 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN2C3CCC2CC3)cc1 ZINC000531177560 1120114956 /nfs/dbraw/zinc/11/49/56/1120114956.db2.gz RLCMINBAOKFVNF-UHFFFAOYSA-N 0 3 279.305 3.684 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000542695811 1120122141 /nfs/dbraw/zinc/12/21/41/1120122141.db2.gz FEVJPSXPYAPGEY-MLGOLLRUSA-N 0 3 258.340 3.511 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000613661331 1120152759 /nfs/dbraw/zinc/15/27/59/1120152759.db2.gz ANNIRTIZRZIRSE-ZANVPECISA-N 0 3 269.175 3.775 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1csc(C#N)c1)CC2 ZINC000921705813 1120164429 /nfs/dbraw/zinc/16/44/29/1120164429.db2.gz YRQWXBAREXPSHK-MRXNPFEDSA-N 0 3 268.385 3.705 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(F)c1)CC2 ZINC000404743870 1120182865 /nfs/dbraw/zinc/18/28/65/1120182865.db2.gz DDVYTFJJLVQUOS-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN Cc1nc(C)c(CNCc2c(C)cc(C#N)cc2C)s1 ZINC000921783988 1120211095 /nfs/dbraw/zinc/21/10/95/1120211095.db2.gz YPRKSLMKFYGSNJ-UHFFFAOYSA-N 0 3 285.416 3.538 20 30 CHEDHN N#Cc1c(Cl)cccc1SCCN1CCCCC1 ZINC000541172768 1120217209 /nfs/dbraw/zinc/21/72/09/1120217209.db2.gz FYTAUTZMTAXXLA-UHFFFAOYSA-N 0 3 280.824 3.790 20 30 CHEDHN N#Cc1cccc(C2(NCc3cccc4[nH]ccc43)CC2)c1 ZINC000341216617 1120246701 /nfs/dbraw/zinc/24/67/01/1120246701.db2.gz SXOVRNJSEWTIEI-UHFFFAOYSA-N 0 3 287.366 3.818 20 30 CHEDHN C=CCCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000309906078 1120304210 /nfs/dbraw/zinc/30/42/10/1120304210.db2.gz KGZMCRLOMAGGKO-UHFFFAOYSA-N 0 3 284.197 3.519 20 30 CHEDHN C=CCSCCN[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000925355054 1120448515 /nfs/dbraw/zinc/44/85/15/1120448515.db2.gz ZZPZAUSSQYXYDI-SFHVURJKSA-N 0 3 298.455 3.988 20 30 CHEDHN CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(C#N)cc1 ZINC000276222322 1120550949 /nfs/dbraw/zinc/55/09/49/1120550949.db2.gz JCPHQOIVPWJOQW-CYBMUJFWSA-N 0 3 282.309 3.721 20 30 CHEDHN COc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1C ZINC000922671909 1120576808 /nfs/dbraw/zinc/57/68/08/1120576808.db2.gz IUBYLPHCCAPERF-LBPRGKRZSA-N 0 3 286.400 3.788 20 30 CHEDHN C=C1CCC(CNCc2nc3ccccc3o2)CC1 ZINC000922710766 1120584712 /nfs/dbraw/zinc/58/47/12/1120584712.db2.gz NRRWZJVWVJRIHQ-UHFFFAOYSA-N 0 3 256.349 3.664 20 30 CHEDHN C=C(C)[C@H](N[C@@H](C)COC(C)C)c1ccc(F)c(F)c1 ZINC000500405246 1120614112 /nfs/dbraw/zinc/61/41/12/1120614112.db2.gz SLWKRFGYMLZUHV-LRDDRELGSA-N 0 3 283.362 3.985 20 30 CHEDHN N#Cc1cc(Nc2ccnc(C3CCC3)c2)ccc1N ZINC001213433872 1120669641 /nfs/dbraw/zinc/66/96/41/1120669641.db2.gz PCFSBZDJUBONAI-UHFFFAOYSA-N 0 3 264.332 3.547 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCCC23CCCCC3)n1 ZINC000313008768 1120671517 /nfs/dbraw/zinc/67/15/17/1120671517.db2.gz FJKSYGZTPAEUFI-CYBMUJFWSA-N 0 3 275.421 3.607 20 30 CHEDHN CC[C@@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC000162863549 1120694827 /nfs/dbraw/zinc/69/48/27/1120694827.db2.gz JTOFCYRBMUBWKQ-CQSZACIVSA-N 0 3 262.784 3.976 20 30 CHEDHN CCOc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742777 1128935512 /nfs/dbraw/zinc/93/55/12/1128935512.db2.gz SDAQYNBGPQIKJC-LJQANCHMSA-N 0 3 292.382 3.734 20 30 CHEDHN Cc1cc(C)c(CNCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594507414 1120762650 /nfs/dbraw/zinc/76/26/50/1120762650.db2.gz MEIGLZMXQHIEOD-UHFFFAOYSA-N 0 3 293.414 3.789 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000119350095 1120777695 /nfs/dbraw/zinc/77/76/95/1120777695.db2.gz CJUAOXGNQVEVNK-UWVGGRQHSA-N 0 3 252.427 3.974 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccc(F)cc21 ZINC000618803174 1128939995 /nfs/dbraw/zinc/93/99/95/1128939995.db2.gz GZSSXQULQBIEPG-OALUTQOASA-N 0 3 292.357 3.962 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2c1cccc2F ZINC000618802938 1128940053 /nfs/dbraw/zinc/94/00/53/1128940053.db2.gz GHUPUCWLOFRFIS-MOPGFXCFSA-N 0 3 292.357 3.962 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2occc21 ZINC000618803967 1128940171 /nfs/dbraw/zinc/94/01/71/1128940171.db2.gz JJYBEUTZESECRL-IAGOWNOFSA-N 0 3 278.355 3.806 20 30 CHEDHN CSCc1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000893471090 1120785083 /nfs/dbraw/zinc/78/50/83/1120785083.db2.gz NKSMKJJRBKLGNH-UHFFFAOYSA-N 0 3 274.433 3.675 20 30 CHEDHN C[C@@H](CCC#N)CN1CCC[C@H]1c1nc2ccccc2n1C ZINC000618887222 1128947851 /nfs/dbraw/zinc/94/78/51/1128947851.db2.gz MHANKASQMQVERH-YOEHRIQHSA-N 0 3 296.418 3.650 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1C[C@H](C)C[C@H](C)C1 ZINC001205052858 1121025429 /nfs/dbraw/zinc/02/54/29/1121025429.db2.gz NKBWIGGGECOEHG-OKILXGFUSA-N 0 3 291.822 3.830 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc2ccccc2[nH]1 ZINC000618967264 1128957703 /nfs/dbraw/zinc/95/77/03/1128957703.db2.gz YJKPSNLZKDDJHA-IBGZPJMESA-N 0 3 287.366 3.817 20 30 CHEDHN COc1ccc(C2(N[C@H](C)CC(C)(C)C#N)CC2)cc1 ZINC000925821378 1121127583 /nfs/dbraw/zinc/12/75/83/1121127583.db2.gz MWLQSUVNPRQRIO-CYBMUJFWSA-N 0 3 272.392 3.602 20 30 CHEDHN CC(C)CCN(CC#Cc1ccc(F)cc1)C1CC1 ZINC000446764082 1121161075 /nfs/dbraw/zinc/16/10/75/1121161075.db2.gz CUXLGARNDWGRNW-UHFFFAOYSA-N 0 3 259.368 3.688 20 30 CHEDHN C=CCN(C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000512318300 1121258153 /nfs/dbraw/zinc/25/81/53/1121258153.db2.gz NBSFDBFBKLDKBA-UHFFFAOYSA-N 0 3 297.398 3.762 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1cc(Cl)ccc1OCC ZINC000675933719 1121388746 /nfs/dbraw/zinc/38/87/46/1121388746.db2.gz NSRZQTGEAWOOQM-WDEREUQCSA-N 0 3 253.773 3.964 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2c1NCCC2 ZINC000893930769 1121441578 /nfs/dbraw/zinc/44/15/78/1121441578.db2.gz HHCFRHLZBBAMSG-UHFFFAOYSA-N 0 3 291.398 3.548 20 30 CHEDHN COc1cc(CNCc2ccc(C(C)C)cc2)ccc1C#N ZINC000389808174 1121477313 /nfs/dbraw/zinc/47/73/13/1121477313.db2.gz QIMBQUPIZDDHLD-UHFFFAOYSA-N 0 3 294.398 3.980 20 30 CHEDHN CCN(Cc1ccncc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176740 1121507246 /nfs/dbraw/zinc/50/72/46/1121507246.db2.gz AJUYOHPEJLZNJD-UHFFFAOYSA-N 0 3 293.414 3.905 20 30 CHEDHN COc1cc(CN[C@@H](CCCC#N)c2ccccc2)ccn1 ZINC000433021611 1121522226 /nfs/dbraw/zinc/52/22/26/1121522226.db2.gz GVJBBPNNKGNXDR-KRWDZBQOSA-N 0 3 295.386 3.615 20 30 CHEDHN C[C@H](Cc1ccccc1C(F)(F)F)NCC(C)(C)C#N ZINC000619509212 1128992912 /nfs/dbraw/zinc/99/29/12/1128992912.db2.gz FPRXQTRPZKKMMB-LLVKDONJSA-N 0 3 284.325 3.776 20 30 CHEDHN C#CCN(Cc1ccc(Cl)c(OC)c1)C(C)(C)C ZINC001176281269 1121586215 /nfs/dbraw/zinc/58/62/15/1121586215.db2.gz LRIJDRGFAMNFDE-UHFFFAOYSA-N 0 3 265.784 3.582 20 30 CHEDHN Cc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000611300586 1121634995 /nfs/dbraw/zinc/63/49/95/1121634995.db2.gz QXSZBEZCHUXUKG-HIFRSBDPSA-N 0 3 279.387 3.982 20 30 CHEDHN CC1(C)c2ccccc2CCN1Cc1ccc(C#N)cc1 ZINC000611352851 1121638785 /nfs/dbraw/zinc/63/87/85/1121638785.db2.gz VRMLONVSVCVJIC-UHFFFAOYSA-N 0 3 276.383 3.852 20 30 CHEDHN C[C@@H]1CCCC[C@H]1OCCNC1(c2cccc(C#N)c2)CC1 ZINC000611396021 1121643729 /nfs/dbraw/zinc/64/37/29/1121643729.db2.gz AQGKHKIXZQXYEY-CRAIPNDOSA-N 0 3 298.430 3.732 20 30 CHEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)c2ccccc2n1 ZINC000397628565 1121690836 /nfs/dbraw/zinc/69/08/36/1121690836.db2.gz UWHQTUJQCWSYNU-HNNXBMFYSA-N 0 3 279.387 3.669 20 30 CHEDHN C#C[C@@H](NCc1cscc1C(F)(F)F)C(C)(C)C ZINC000811508105 1121697423 /nfs/dbraw/zinc/69/74/23/1121697423.db2.gz ZZPMPYYHLYNLAG-LLVKDONJSA-N 0 3 275.339 3.904 20 30 CHEDHN C#C[C@@H]1CCCCN1C[C@H](OC(C)C)c1ccccc1 ZINC001176832834 1121697810 /nfs/dbraw/zinc/69/78/10/1121697810.db2.gz KJBODHYUZHEMBG-MSOLQXFVSA-N 0 3 271.404 3.640 20 30 CHEDHN CCCCCCCCN[C@@H](CO)c1cc(F)ccc1F ZINC001176925323 1121700572 /nfs/dbraw/zinc/70/05/72/1121700572.db2.gz BILJQPKUDYSWQL-INIZCTEOSA-N 0 3 285.378 3.948 20 30 CHEDHN CC(C)COc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000067252164 1121704343 /nfs/dbraw/zinc/70/43/43/1121704343.db2.gz ZWXJLCOIJVCLDV-UHFFFAOYSA-N 0 3 294.398 3.883 20 30 CHEDHN C=CC[C@@H](C)NCc1ncc(-c2ccccc2)s1 ZINC001177869621 1121752059 /nfs/dbraw/zinc/75/20/59/1121752059.db2.gz DFPYECYXHSCMGU-GFCCVEGCSA-N 0 3 258.390 3.864 20 30 CHEDHN COc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748888 1129012391 /nfs/dbraw/zinc/01/23/91/1129012391.db2.gz XFWGOINAWAYLMR-UHFFFAOYSA-N 0 3 286.762 3.510 20 30 CHEDHN C=CCN(Cc1[nH]nc(C)c1C)CC1CCCCC1 ZINC001180292923 1121977321 /nfs/dbraw/zinc/97/73/21/1121977321.db2.gz RJOMGPRVJCCDJH-UHFFFAOYSA-N 0 3 261.413 3.595 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2c1cccc2F ZINC000618802942 1121999369 /nfs/dbraw/zinc/99/93/69/1121999369.db2.gz GHUPUCWLOFRFIS-RBUKOAKNSA-N 0 3 292.357 3.962 20 30 CHEDHN CCCCCCC[C@H](C)C(=O)N[C@@]1(C)CCCN(C)C1 ZINC001181133690 1122038517 /nfs/dbraw/zinc/03/85/17/1122038517.db2.gz XULMPDPVJCCJQK-RDJZCZTQSA-N 0 3 282.472 3.584 20 30 CHEDHN Cc1ccc2c(c1)CN(Cc1ccc(C#N)c(C)c1)CC2 ZINC001182782964 1122189358 /nfs/dbraw/zinc/18/93/58/1122189358.db2.gz RXQKTSHBLFGMPJ-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN CCCCCCCCC[C@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001258229787 1129041124 /nfs/dbraw/zinc/04/11/24/1129041124.db2.gz PJPUAFXZOYKISO-HOTGVXAUSA-N 0 3 295.471 3.617 20 30 CHEDHN Cc1cc(OCCC[C@@H](C)NC[C@@H](C)C#N)ccc1Cl ZINC000515389577 1122495194 /nfs/dbraw/zinc/49/51/94/1122495194.db2.gz IQHCWCIRWWTNQS-GXTWGEPZSA-N 0 3 294.826 3.945 20 30 CHEDHN CC[C@@](C)(NCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000775391744 1122540669 /nfs/dbraw/zinc/54/06/69/1122540669.db2.gz WKIONYBMIJWKNB-LJQANCHMSA-N 0 3 294.398 3.982 20 30 CHEDHN C=CCC[C@H](O)CN(CCCC)Cc1ccccc1F ZINC001190752570 1122554146 /nfs/dbraw/zinc/55/41/46/1122554146.db2.gz LPMQVCFLQOLMAD-INIZCTEOSA-N 0 3 279.399 3.755 20 30 CHEDHN CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1[O-] ZINC000775414654 1122557432 /nfs/dbraw/zinc/55/74/32/1122557432.db2.gz JWZKWFLQAKUYAL-INIZCTEOSA-N 0 3 296.370 3.513 20 30 CHEDHN CC(C)C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000437582607 1122643668 /nfs/dbraw/zinc/64/36/68/1122643668.db2.gz YVJAPIXKEQXANX-INIZCTEOSA-N 0 3 259.368 3.545 20 30 CHEDHN N#CCC[C@@H](NC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775554701 1122661230 /nfs/dbraw/zinc/66/12/30/1122661230.db2.gz ZLZZXHUKGOVXEX-CHWSQXEVSA-N 0 3 283.202 3.815 20 30 CHEDHN Cc1ccc([C@H](O)CN[C@H](CCC#N)c2ccccc2)cc1 ZINC000775553847 1122663090 /nfs/dbraw/zinc/66/30/90/1122663090.db2.gz RCIMKMILXRKZLG-RTBURBONSA-N 0 3 294.398 3.663 20 30 CHEDHN C=C(C)[C@@H](NCC[C@@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC001193574532 1122698721 /nfs/dbraw/zinc/69/87/21/1122698721.db2.gz HNTHTCOTEQTHGS-HZPDHXFCSA-N 0 3 283.362 3.579 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000426457661 1122796846 /nfs/dbraw/zinc/79/68/46/1122796846.db2.gz YRDSCLKXDWBXSA-TZMCWYRMSA-N 0 3 292.329 3.534 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc(OC)c(COCC)c1 ZINC000426560443 1122821965 /nfs/dbraw/zinc/82/19/65/1122821965.db2.gz QAWQJUXIJNHTGU-KRWDZBQOSA-N 0 3 289.419 3.772 20 30 CHEDHN C=C[C@@H]1CCCCN1CC1=Cc2ccccc2OC1 ZINC000426562140 1122824031 /nfs/dbraw/zinc/82/40/31/1122824031.db2.gz ZRHWURCWDVPRQM-MRXNPFEDSA-N 0 3 255.361 3.503 20 30 CHEDHN C[C@@H](NCc1cccc(C#N)c1)c1cc2ccccc2[nH]1 ZINC000775624069 1122827792 /nfs/dbraw/zinc/82/77/92/1122827792.db2.gz XHUMXMDFDTZHDC-CYBMUJFWSA-N 0 3 275.355 3.890 20 30 CHEDHN C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccc1[O-] ZINC000775631357 1122834429 /nfs/dbraw/zinc/83/44/29/1122834429.db2.gz GKGHZKGCKHPMET-UHFFFAOYSA-N 0 3 294.398 3.825 20 30 CHEDHN C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccc1[O-] ZINC000775631357 1122834434 /nfs/dbraw/zinc/83/44/34/1122834434.db2.gz GKGHZKGCKHPMET-UHFFFAOYSA-N 0 3 294.398 3.825 20 30 CHEDHN CC(C)(C)CN(CCC#N)Cc1c(O)ccc2ccncc21 ZINC000729468745 1122901275 /nfs/dbraw/zinc/90/12/75/1122901275.db2.gz YMOQGIOLEUMIHM-UHFFFAOYSA-N 0 3 297.402 3.702 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000426778891 1122914836 /nfs/dbraw/zinc/91/48/36/1122914836.db2.gz BPPHMBUSEXTEEO-PWSUYJOCSA-N 0 3 288.218 3.971 20 30 CHEDHN CSCC[C@@H](C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000426995772 1122930616 /nfs/dbraw/zinc/93/06/16/1122930616.db2.gz UECAHZGYHBZKBP-CYBMUJFWSA-N 0 3 281.852 3.765 20 30 CHEDHN COCC#CCN[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001196943145 1122940155 /nfs/dbraw/zinc/94/01/55/1122940155.db2.gz KAQKZEFVSRJENN-GOSISDBHSA-N 0 3 289.394 3.687 20 30 CHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2n[nH]cc2c1 ZINC000507272322 1122945516 /nfs/dbraw/zinc/94/55/16/1122945516.db2.gz LCKNYBPVJLKCSZ-CHWSQXEVSA-N 0 3 290.370 3.846 20 30 CHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(N(C)C)cc1 ZINC000775827911 1122983916 /nfs/dbraw/zinc/98/39/16/1122983916.db2.gz MEXXKPWRSGQBBK-CYBMUJFWSA-N 0 3 297.377 3.614 20 30 CHEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001203314929 1122983997 /nfs/dbraw/zinc/98/39/97/1122983997.db2.gz QJJYKHHRACWIRX-GOSISDBHSA-N 0 3 292.382 3.602 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCO[C@H](C(C)(C)C)CC1 ZINC001198800030 1123011046 /nfs/dbraw/zinc/01/10/46/1123011046.db2.gz HDVCFYFWEHSZBO-YOEHRIQHSA-N 0 3 286.419 3.756 20 30 CHEDHN C=CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000776155896 1123085893 /nfs/dbraw/zinc/08/58/93/1123085893.db2.gz JFERJZUYWZTDOY-KBXCAEBGSA-N 0 3 277.371 3.921 20 30 CHEDHN Cc1cc(F)ncc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000894963970 1123092890 /nfs/dbraw/zinc/09/28/90/1123092890.db2.gz HWTZQSAFOMOTBV-QGZVFWFLSA-N 0 3 295.361 3.568 20 30 CHEDHN C#CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000776170031 1123101598 /nfs/dbraw/zinc/10/15/98/1123101598.db2.gz HCFRDZYWZRRWTL-KXBFYZLASA-N 0 3 274.367 3.973 20 30 CHEDHN CCCCCCCCN1CCc2nc(Cl)ncc2C1 ZINC001201826296 1123153302 /nfs/dbraw/zinc/15/33/02/1123153302.db2.gz RCCRLZCBKBPJNX-UHFFFAOYSA-N 0 3 281.831 3.849 20 30 CHEDHN C=CCN1CCN(CCCCCCCCCC)CC1 ZINC001201875423 1123157152 /nfs/dbraw/zinc/15/71/52/1123157152.db2.gz ZQDDDJGUSQHXHT-UHFFFAOYSA-N 0 3 266.473 3.931 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1nccc2ccccc21 ZINC001202243329 1123193428 /nfs/dbraw/zinc/19/34/28/1123193428.db2.gz WWLOCTGDBHTLBV-IBGZPJMESA-N 0 3 299.377 3.884 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000850341998 1123254900 /nfs/dbraw/zinc/25/49/00/1123254900.db2.gz PCLUKACVIAEBNE-DOMZBBRYSA-N 0 3 260.381 3.777 20 30 CHEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850369088 1123258446 /nfs/dbraw/zinc/25/84/46/1123258446.db2.gz HJPVOCYJZDWQSJ-RBUKOAKNSA-N 0 3 295.382 3.519 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000850472919 1123272530 /nfs/dbraw/zinc/27/25/30/1123272530.db2.gz QZCUFOLTYDZALM-HNNXBMFYSA-N 0 3 291.394 3.844 20 30 CHEDHN C=CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000850502972 1123276181 /nfs/dbraw/zinc/27/61/81/1123276181.db2.gz YGFBWRBCGZHUJQ-JTQLQIEISA-N 0 3 284.197 3.690 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(F)c1C#N ZINC000428211380 1123282387 /nfs/dbraw/zinc/28/23/87/1123282387.db2.gz XEEMSENEKDJENW-PBFPGSCMSA-N 0 3 272.367 3.850 20 30 CHEDHN N#CC(C(=O)[C@H]1CCCC2(CC2)C1)c1nc2ccccc2[nH]1 ZINC000850738540 1123297152 /nfs/dbraw/zinc/29/71/52/1123297152.db2.gz NAUGJYOSOPIXIL-QWHCGFSZSA-N 0 3 293.370 3.710 20 30 CHEDHN C=CCC1(NCc2nc(C)c3ccccc3n2)CCCC1 ZINC000852587994 1123409865 /nfs/dbraw/zinc/40/98/65/1123409865.db2.gz KVRFCFXIJBTMTB-UHFFFAOYSA-N 0 3 281.403 3.917 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2cc3c(cccc3O)s2)C1 ZINC000895228824 1123412076 /nfs/dbraw/zinc/41/20/76/1123412076.db2.gz QVGNPHWNGWPGAN-LBPRGKRZSA-N 0 3 286.400 3.733 20 30 CHEDHN CC(=Nn1cnnc1)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000853253818 1123430123 /nfs/dbraw/zinc/43/01/23/1123430123.db2.gz FMABKNVSSZWNTD-CYBMUJFWSA-N 0 3 270.380 3.504 20 30 CHEDHN C[C@@H](c1ccccc1)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000895550195 1123492350 /nfs/dbraw/zinc/49/23/50/1123492350.db2.gz BKMSSUSQRDTYBE-KRWDZBQOSA-N 0 3 299.462 3.695 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccs2)c1 ZINC000113961786 1123550421 /nfs/dbraw/zinc/55/04/21/1123550421.db2.gz SMUCKCBNNOUNAD-CQSZACIVSA-N 0 3 286.400 3.719 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2csc(Br)c2)C1 ZINC000274213820 1129130574 /nfs/dbraw/zinc/13/05/74/1129130574.db2.gz ODOZEFAREVMLRI-KOLCDFICSA-N 0 3 299.237 3.683 20 30 CHEDHN C=C(CC)CN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858028197 1123629225 /nfs/dbraw/zinc/62/92/25/1123629225.db2.gz DCBUYRUGHWXRPB-QGZVFWFLSA-N 0 3 286.419 3.768 20 30 CHEDHN N#Cc1cccc(CNCc2cccc(C(F)(F)F)c2)c1 ZINC000019906701 1123751472 /nfs/dbraw/zinc/75/14/72/1123751472.db2.gz BVIKYFKFTZSCHK-UHFFFAOYSA-N 0 3 290.288 3.867 20 30 CHEDHN N#Cc1c(F)cccc1CN[C@H]1CCSC2(CCC2)C1 ZINC000896950346 1123792817 /nfs/dbraw/zinc/79/28/17/1123792817.db2.gz FJTTWDKOOXJIPR-ZDUSSCGKSA-N 0 3 290.407 3.605 20 30 CHEDHN CN(Cc1ccsc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000120478999 1123966979 /nfs/dbraw/zinc/96/69/79/1123966979.db2.gz NWYNRJFUBWIPIO-UHFFFAOYSA-N 0 3 299.443 3.730 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000158997618 1129157136 /nfs/dbraw/zinc/15/71/36/1129157136.db2.gz HGPSTDVCOHUWAZ-UHFFFAOYSA-N 0 3 283.799 3.755 20 30 CHEDHN CCOc1cc(F)cc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000865408622 1123981075 /nfs/dbraw/zinc/98/10/75/1123981075.db2.gz ABGJGJDRXHKZTN-CYBMUJFWSA-N 0 3 298.361 3.947 20 30 CHEDHN N#CC1(c2ccc(CN[C@H]3CCCC[C@H]3F)cc2)CC1 ZINC000865696762 1124006294 /nfs/dbraw/zinc/00/62/94/1124006294.db2.gz JMGGJDAZABVAIB-CVEARBPZSA-N 0 3 272.367 3.612 20 30 CHEDHN C#CC[C@H](N[C@@H]1CCCc2ncccc21)c1ccccc1 ZINC000866312598 1124051113 /nfs/dbraw/zinc/05/11/13/1124051113.db2.gz OUAWDVFBTSYQJC-PKOBYXMFSA-N 0 3 276.383 3.813 20 30 CHEDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC1(C#N)CCCC1 ZINC001119605804 1131259966 /nfs/dbraw/zinc/25/99/66/1131259966.db2.gz AELZQJWGSGFRKX-KGLIPLIRSA-N 0 3 284.403 3.923 20 30 CHEDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCC1(C#N)CCCC1 ZINC001119605803 1131260025 /nfs/dbraw/zinc/26/00/25/1131260025.db2.gz AELZQJWGSGFRKX-KBPBESRZSA-N 0 3 284.403 3.923 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1cccc(F)c1C#N ZINC000428476397 1124459129 /nfs/dbraw/zinc/45/91/29/1124459129.db2.gz DTCNZVRBAHXYKD-WBMJQRKESA-N 0 3 260.356 3.708 20 30 CHEDHN CC[C@H](NCc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447514278 1124482915 /nfs/dbraw/zinc/48/29/15/1124482915.db2.gz CPRDASNAFJLSQU-KRWDZBQOSA-N 0 3 268.335 3.938 20 30 CHEDHN C=CCN(CCc1ccco1)[C@@H](C)c1ccc(F)nc1 ZINC001119702010 1131263119 /nfs/dbraw/zinc/26/31/19/1131263119.db2.gz JJDSOXMNXWQINY-ZDUSSCGKSA-N 0 3 274.339 3.605 20 30 CHEDHN CCN(CC)c1ccc(C=NN[C@@H](C)c2ccncc2)cc1 ZINC000819816317 1131263369 /nfs/dbraw/zinc/26/33/69/1131263369.db2.gz ZIJZXBDYPKQZIR-HNNXBMFYSA-N 0 3 296.418 3.613 20 30 CHEDHN Cc1cc(C)nc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000122340470 1124491568 /nfs/dbraw/zinc/49/15/68/1124491568.db2.gz XNNJDMTVUDJBEC-AWEZNQCLSA-N 0 3 281.359 3.601 20 30 CHEDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000447581553 1124497152 /nfs/dbraw/zinc/49/71/52/1124497152.db2.gz VDBJLZFRAVYLLO-QGZVFWFLSA-N 0 3 295.342 3.707 20 30 CHEDHN C[C@@H](NCC(C)(C)CCC#N)c1c(F)cccc1[N+](=O)[O-] ZINC000872070483 1124674485 /nfs/dbraw/zinc/67/44/85/1124674485.db2.gz DGWWBKAXWOWJDV-LLVKDONJSA-N 0 3 293.342 3.714 20 30 CHEDHN C=CC[C@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000872111592 1124684853 /nfs/dbraw/zinc/68/48/53/1124684853.db2.gz CJSODJLNDDPCQE-UWVGGRQHSA-N 0 3 256.802 3.631 20 30 CHEDHN N#Cc1csc(CN2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872262313 1124701851 /nfs/dbraw/zinc/70/18/51/1124701851.db2.gz XTOVWYUFVIAUFK-OAHLLOKOSA-N 0 3 290.432 3.543 20 30 CHEDHN C#C[C@H]1CC[C@H](NCc2coc(-c3ccccc3)n2)CC1 ZINC000873198499 1124751637 /nfs/dbraw/zinc/75/16/37/1124751637.db2.gz NENRKTPWUUOEDF-KOMQPUFPSA-N 0 3 280.371 3.623 20 30 CHEDHN N#CCCN[C@H]1CCCC[C@H]1c1ccccc1Cl ZINC000825720136 1124825032 /nfs/dbraw/zinc/82/50/32/1124825032.db2.gz ASMGKEPNSNSIAM-ZFWWWQNUSA-N 0 3 262.784 3.869 20 30 CHEDHN CCC[C@@H]1CCCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000449735196 1124853865 /nfs/dbraw/zinc/85/38/65/1124853865.db2.gz QFZLQYYJPOXMSM-CHWSQXEVSA-N 0 3 277.437 3.711 20 30 CHEDHN C[C@@H](C1CC1)N(Cc1ccccc1)CC1(C#N)CCC1 ZINC000450264046 1124963874 /nfs/dbraw/zinc/96/38/74/1124963874.db2.gz YQGCHPJRMOTJCQ-HNNXBMFYSA-N 0 3 268.404 3.981 20 30 CHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1CC(F)(F)C1 ZINC000450299405 1124970938 /nfs/dbraw/zinc/97/09/38/1124970938.db2.gz PSCIXANCRXKNHC-UHFFFAOYSA-N 0 3 296.317 3.628 20 30 CHEDHN C#CCCCCCCN[C@@H](CC)c1nccs1 ZINC000877057004 1125004010 /nfs/dbraw/zinc/00/40/10/1125004010.db2.gz ZGJKWYHGNALCMC-ZDUSSCGKSA-N 0 3 250.411 3.768 20 30 CHEDHN C#CCCCCCCN[C@@H](C)c1ncc(C)s1 ZINC000877081934 1125006734 /nfs/dbraw/zinc/00/67/34/1125006734.db2.gz UMNHXYVYKLXYLJ-ZDUSSCGKSA-N 0 3 250.411 3.686 20 30 CHEDHN N#Cc1cnc(Cl)c(CN(CC2CC2)CC2CCC2)c1 ZINC000877494520 1125033902 /nfs/dbraw/zinc/03/39/02/1125033902.db2.gz XYGGTQOQCBNYQY-UHFFFAOYSA-N 0 3 289.810 3.619 20 30 CHEDHN N#CCCN(CC/C=C\c1ccccc1)CC1CC1 ZINC000450464277 1125036446 /nfs/dbraw/zinc/03/64/46/1125036446.db2.gz XJUMMRMAFKGZQW-WTKPLQERSA-N 0 3 254.377 3.716 20 30 CHEDHN CC(C)=CCC[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877562541 1125045990 /nfs/dbraw/zinc/04/59/90/1125045990.db2.gz WDROWFFIQJCBLR-LBPRGKRZSA-N 0 3 277.799 3.831 20 30 CHEDHN CCc1ccc2nccc(N3CCC(F)(C#N)CC3)c2c1 ZINC000450527894 1125053198 /nfs/dbraw/zinc/05/31/98/1125053198.db2.gz INMSTCLJTRIMGZ-UHFFFAOYSA-N 0 3 283.350 3.629 20 30 CHEDHN Cc1cc(CN(C)CCc2cccc(C#N)c2)cnc1Cl ZINC000877703910 1125067128 /nfs/dbraw/zinc/06/71/28/1125067128.db2.gz GHIABLAKLQCENW-UHFFFAOYSA-N 0 3 299.805 3.590 20 30 CHEDHN C#CCCCCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000877946467 1125105883 /nfs/dbraw/zinc/10/58/83/1125105883.db2.gz IZWGFMPATDCONW-JLHYYAGUSA-N 0 3 296.458 3.511 20 30 CHEDHN N#Cc1ccc(CN(C[C@H]2CCC3(CCC3)O2)C2CC2)cc1 ZINC000878002496 1125112145 /nfs/dbraw/zinc/11/21/45/1125112145.db2.gz XWUJHQUVDNQJGC-GOSISDBHSA-N 0 3 296.414 3.624 20 30 CHEDHN N#Cc1ccc(CN(C[C@@H]2CCC3(CCC3)O2)C2CC2)cc1 ZINC000878002497 1125112628 /nfs/dbraw/zinc/11/26/28/1125112628.db2.gz XWUJHQUVDNQJGC-SFHVURJKSA-N 0 3 296.414 3.624 20 30 CHEDHN CC(=O)[C@](C#N)(CCN(C)[C@H](C)C1(C)CC1)c1ccccc1 ZINC000878179308 1125129467 /nfs/dbraw/zinc/12/94/67/1125129467.db2.gz KUVVLOIRRJOWQS-DNVCBOLYSA-N 0 3 298.430 3.547 20 30 CHEDHN C=CC[C@H](C)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000878258085 1125136080 /nfs/dbraw/zinc/13/60/80/1125136080.db2.gz YPIUJMNQGKLAOV-HNNXBMFYSA-N 0 3 274.408 3.528 20 30 CHEDHN CC1(C#N)CCN(C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878389743 1125147178 /nfs/dbraw/zinc/14/71/78/1125147178.db2.gz RUFHRZABECOGPT-SJORKVTESA-N 0 3 284.403 3.532 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](C)C[C@H]1C)c1ccccc1 ZINC000878728027 1125177105 /nfs/dbraw/zinc/17/71/05/1125177105.db2.gz IHKSGQVUCZTBMN-GPMSIDNRSA-N 0 3 298.430 3.547 20 30 CHEDHN C[C@H]1c2ccccc2CCN1CCOc1ccc(C#N)cc1 ZINC000530902112 1125185328 /nfs/dbraw/zinc/18/53/28/1125185328.db2.gz JGRBGAUMAWMZOD-HNNXBMFYSA-N 0 3 292.382 3.556 20 30 CHEDHN CC(C)Oc1ccccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001137139792 1125189925 /nfs/dbraw/zinc/18/99/25/1125189925.db2.gz VRXZCFLCUOTJNZ-XGBSXSJOSA-N 0 3 284.403 3.740 20 30 CHEDHN N#Cc1ccc(F)c(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000879666812 1125224386 /nfs/dbraw/zinc/22/43/86/1125224386.db2.gz IYKTZDRAAGHOMK-TZMCWYRMSA-N 0 3 298.283 3.684 20 30 CHEDHN CCCCCCCCN1CCC(O)(C(F)(F)F)CC1 ZINC000128101223 1125240633 /nfs/dbraw/zinc/24/06/33/1125240633.db2.gz GZDPECQEWRFEJH-UHFFFAOYSA-N 0 3 281.362 3.736 20 30 CHEDHN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1CCCC#N ZINC000880286087 1125261691 /nfs/dbraw/zinc/26/16/91/1125261691.db2.gz RZGCJXGKCBEIOL-CYBMUJFWSA-N 0 3 278.346 3.836 20 30 CHEDHN C=CCCC[C@@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000880388820 1125270994 /nfs/dbraw/zinc/27/09/94/1125270994.db2.gz PLZMJPKIQYHLLC-MRXNPFEDSA-N 0 3 299.370 3.533 20 30 CHEDHN C=CCCC[C@H](NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000880388841 1125271060 /nfs/dbraw/zinc/27/10/60/1125271060.db2.gz AOZJFBXGDXCPAM-HNNXBMFYSA-N 0 3 284.407 3.554 20 30 CHEDHN N#CCC[C@@H](NCc1ccccc1O)c1ccccc1 ZINC000130583513 1125363971 /nfs/dbraw/zinc/36/39/71/1125363971.db2.gz RDCJVRZVQDWTTC-MRXNPFEDSA-N 0 3 266.344 3.527 20 30 CHEDHN N#CCC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000130583513 1125363974 /nfs/dbraw/zinc/36/39/74/1125363974.db2.gz RDCJVRZVQDWTTC-MRXNPFEDSA-N 0 3 266.344 3.527 20 30 CHEDHN C=CCC[C@H](Cc1ccccc1)[NH2+]Cc1nnc(C(C)C)[n-]1 ZINC000883225882 1125380089 /nfs/dbraw/zinc/38/00/89/1125380089.db2.gz OFYPALMVPUDWEP-MRXNPFEDSA-N 0 3 298.434 3.595 20 30 CHEDHN Cc1csc(C(C#N)=C([O-])c2ccc(C)c(C)c2)n1 ZINC000041519702 1125433749 /nfs/dbraw/zinc/43/37/49/1125433749.db2.gz ZRGZZVNFIFSHHS-ZDUSSCGKSA-N 0 3 270.357 3.558 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(C)c2)n1 ZINC000041519702 1125433751 /nfs/dbraw/zinc/43/37/51/1125433751.db2.gz ZRGZZVNFIFSHHS-ZDUSSCGKSA-N 0 3 270.357 3.558 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CCC2 ZINC000037748352 1129263962 /nfs/dbraw/zinc/26/39/62/1129263962.db2.gz UFQGWRIUFDSTRU-CQSZACIVSA-N 0 3 276.383 3.898 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000037748494 1129264005 /nfs/dbraw/zinc/26/40/05/1129264005.db2.gz KKVKKZIABNUFJL-SFHVURJKSA-N 0 3 280.346 3.938 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc(OC)c1O ZINC000092261567 1129384919 /nfs/dbraw/zinc/38/49/19/1129384919.db2.gz ZTYUIUXAMOUIBO-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN CCCCCCCCCCN1CCc2c(ncn2C)C1 ZINC000740877554 1129422852 /nfs/dbraw/zinc/42/28/52/1129422852.db2.gz HZBVGJKOGMJTHN-UHFFFAOYSA-N 0 3 277.456 3.919 20 30 CHEDHN C#Cc1ccc(Nc2ccc3nc(C)[nH]c3c2)cc1F ZINC001213076656 1129436083 /nfs/dbraw/zinc/43/60/83/1129436083.db2.gz WSEAYSMMJZVVKP-UHFFFAOYSA-N 0 3 265.291 3.735 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccco1 ZINC000744016680 1129545700 /nfs/dbraw/zinc/54/57/00/1129545700.db2.gz RBWSVLIPARQKAN-QWRGUYRKSA-N 0 3 296.351 3.869 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)COC2 ZINC000822525277 1131385304 /nfs/dbraw/zinc/38/53/04/1131385304.db2.gz DBQMZDMXPKTRLF-CQSZACIVSA-N 0 3 292.382 3.781 20 30 CHEDHN Cc1nc2ccc(Nc3ccc(F)c(C#N)c3)cc2[nH]1 ZINC001213073230 1129637110 /nfs/dbraw/zinc/63/71/10/1129637110.db2.gz KECOTAJYKGWTIZ-UHFFFAOYSA-N 0 3 266.279 3.626 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1cccc(C#N)c1 ZINC000766349915 1129655220 /nfs/dbraw/zinc/65/52/20/1129655220.db2.gz KZYNCKCHWCSPKM-KGLIPLIRSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c([O-])c(OC)c1 ZINC000766379132 1129660228 /nfs/dbraw/zinc/66/02/28/1129660228.db2.gz AAHSPIVTSCEWFU-KBPBESRZSA-N 0 3 289.419 3.607 20 30 CHEDHN C=CCc1cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c([O-])c(OC)c1 ZINC000766379132 1129660230 /nfs/dbraw/zinc/66/02/30/1129660230.db2.gz AAHSPIVTSCEWFU-KBPBESRZSA-N 0 3 289.419 3.607 20 30 CHEDHN CC[C@@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1 ZINC001169012784 1129690131 /nfs/dbraw/zinc/69/01/31/1129690131.db2.gz ASNDEFZRWKENBM-LJQANCHMSA-N 0 3 276.383 3.895 20 30 CHEDHN C#CCCCN(Cc1cccc(C)c1)Cc1ccccn1 ZINC000766923546 1129769796 /nfs/dbraw/zinc/76/97/96/1129769796.db2.gz ZMIGBUWKNMXBKU-UHFFFAOYSA-N 0 3 278.399 3.806 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccnc(Cl)c1 ZINC000796594854 1129801761 /nfs/dbraw/zinc/80/17/61/1129801761.db2.gz YRVXCDJIHOEIBD-LBPRGKRZSA-N 0 3 285.778 3.652 20 30 CHEDHN CC(C)N(Cc1ccco1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768250586 1129846449 /nfs/dbraw/zinc/84/64/49/1129846449.db2.gz WBDJHBMBNLLZPT-HNNXBMFYSA-N 0 3 298.386 3.981 20 30 CHEDHN COc1ccc(CN2CC[C@H](c3ccccc3)C2)c(C#N)c1 ZINC001137697913 1131402804 /nfs/dbraw/zinc/40/28/04/1131402804.db2.gz BDVVMNHJXVLGFN-KRWDZBQOSA-N 0 3 292.382 3.556 20 30 CHEDHN C[C@H](C#N)OCCN[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000801938954 1129961977 /nfs/dbraw/zinc/96/19/77/1129961977.db2.gz LRSBVUMCQITXES-ABAIWWIYSA-N 0 3 296.361 3.570 20 30 CHEDHN CC[C@@H](NCc1ccc(C)nc1)c1cccc(C#N)c1 ZINC000902750375 1130050417 /nfs/dbraw/zinc/05/04/17/1130050417.db2.gz GLBUWPSCFSYTGE-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN CC[C@H](NCc1cccc(COC)c1)c1cccc(C#N)c1 ZINC000902749535 1130050922 /nfs/dbraw/zinc/05/09/22/1130050922.db2.gz SYZUHFIONGNRMS-IBGZPJMESA-N 0 3 294.398 3.946 20 30 CHEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)Sc1ccccc1 ZINC000902821984 1130063635 /nfs/dbraw/zinc/06/36/35/1130063635.db2.gz OIZZGPLKPBIMNY-KBPBESRZSA-N 0 3 297.427 3.785 20 30 CHEDHN C=CCC[C@@H](NCc1ncc(C)s1)[C@@]1(C)CCCCO1 ZINC000902821806 1130063746 /nfs/dbraw/zinc/06/37/46/1130063746.db2.gz LHGHBKJECWCUIA-GDBMZVCRSA-N 0 3 294.464 3.835 20 30 CHEDHN CC[C@@H](N[C@H](CO)c1ccccc1C)c1cccc(C#N)c1 ZINC000902830414 1130065553 /nfs/dbraw/zinc/06/55/53/1130065553.db2.gz NKMGRMKASOQPDZ-RTBURBONSA-N 0 3 294.398 3.641 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cc(=O)oc2cc(C)ccc12 ZINC000785997760 1130073254 /nfs/dbraw/zinc/07/32/54/1130073254.db2.gz RZBRCBSVQKUQQB-OAHLLOKOSA-N 0 3 283.371 3.642 20 30 CHEDHN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902966694 1130092465 /nfs/dbraw/zinc/09/24/65/1130092465.db2.gz HKOYGHZQVZDKPW-GXFFZTMASA-N 0 3 285.313 3.581 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903014371 1130099965 /nfs/dbraw/zinc/09/99/65/1130099965.db2.gz RCQVEDOQIAZQNF-SNVBAGLBSA-N 0 3 258.287 3.717 20 30 CHEDHN CC[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cccc(C#N)c1 ZINC000903049754 1130105273 /nfs/dbraw/zinc/10/52/73/1130105273.db2.gz FVILKGBQKGJHCV-GBESFXJTSA-N 0 3 292.382 3.777 20 30 CHEDHN C=CCC[C@H](Cc1ccccc1)NCC(C)(C)C#N ZINC000903102073 1130112471 /nfs/dbraw/zinc/11/24/71/1130112471.db2.gz RLUIZLWZIHNITE-MRXNPFEDSA-N 0 3 256.393 3.703 20 30 CHEDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c([O-])c1 ZINC000787024611 1130125873 /nfs/dbraw/zinc/12/58/73/1130125873.db2.gz BZESUEQTWSDESL-SCLBCKFNSA-N 0 3 292.382 3.910 20 30 CHEDHN CC(C)[C@@H](CCc1ccccc1)NCc1nc(C#N)cs1 ZINC000903263487 1130139388 /nfs/dbraw/zinc/13/93/88/1130139388.db2.gz NIMISTFYICKWCA-MRXNPFEDSA-N 0 3 299.443 3.762 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cc2cccc(OC)c2o1 ZINC000787309660 1130146632 /nfs/dbraw/zinc/14/66/32/1130146632.db2.gz KZPMEMMFDOLOMB-AWEZNQCLSA-N 0 3 271.360 3.982 20 30 CHEDHN Cc1cc(CO)cc(C)c1CN[C@H](C)c1cccc(C#N)c1 ZINC000903307509 1130149788 /nfs/dbraw/zinc/14/97/88/1130149788.db2.gz JAJPEUVQSYVVPZ-OAHLLOKOSA-N 0 3 294.398 3.518 20 30 CHEDHN C#CCN(Cc1ccccc1)C[C@@H](OC)C1CCCCC1 ZINC001170094149 1130221063 /nfs/dbraw/zinc/22/10/63/1130221063.db2.gz GKSKGNBVUBZGFC-LJQANCHMSA-N 0 3 285.431 3.717 20 30 CHEDHN CCC#C[C@H](C)N1CCC(Nc2cccc(C)c2)CC1 ZINC000677478837 1130312659 /nfs/dbraw/zinc/31/26/59/1130312659.db2.gz JLXMYRNKJNJSQO-INIZCTEOSA-N 0 3 270.420 3.673 20 30 CHEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000678741608 1130447782 /nfs/dbraw/zinc/44/77/82/1130447782.db2.gz DABQHISLSDPGIE-NWDGAFQWSA-N 0 3 267.319 3.741 20 30 CHEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(SCCOC)cc1 ZINC000678765267 1130450418 /nfs/dbraw/zinc/45/04/18/1130450418.db2.gz IQQOTZGYGDNJQR-GJZGRUSLSA-N 0 3 291.460 3.878 20 30 CHEDHN COCC#CCN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000678793717 1130456803 /nfs/dbraw/zinc/45/68/03/1130456803.db2.gz KURGTNKIXHBRRO-HNNXBMFYSA-N 0 3 299.336 3.642 20 30 CHEDHN C[C@@H](Cc1ccccc1Cl)NCC1(C#N)CCC1 ZINC001170247720 1130472606 /nfs/dbraw/zinc/47/26/06/1130472606.db2.gz LLNWAUYBDMAUFV-LBPRGKRZSA-N 0 3 262.784 3.554 20 30 CHEDHN CC[C@]1(C)CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000758398156 1130609161 /nfs/dbraw/zinc/60/91/61/1130609161.db2.gz ULACJKKNJRILIL-GOSISDBHSA-N 0 3 294.402 3.501 20 30 CHEDHN C#CCN(CC)C/C(C)=C\c1ccccc1OC(F)F ZINC000811457371 1130610402 /nfs/dbraw/zinc/61/04/02/1130610402.db2.gz BABHQBJJSZODMR-QBFSEMIESA-N 0 3 279.330 3.646 20 30 CHEDHN C#CCN(C/C(C)=C\c1ccccc1OC(F)F)C1CC1 ZINC000811490125 1130613321 /nfs/dbraw/zinc/61/33/21/1130613321.db2.gz NATOJNLKTGFYPZ-QBFSEMIESA-N 0 3 291.341 3.789 20 30 CHEDHN C#CCN(C)Cc1ccc(N(C)c2cccc(C)c2)cc1 ZINC001234178572 1130614378 /nfs/dbraw/zinc/61/43/78/1130614378.db2.gz GYJYNUGSPSPPBL-UHFFFAOYSA-N 0 3 278.399 3.828 20 30 CHEDHN C#C[C@@H](N[C@@H](C)CC1CCOCC1)c1ccc(Cl)cc1 ZINC000811516055 1130614955 /nfs/dbraw/zinc/61/49/55/1130614955.db2.gz CNVCJQVPBJQXAE-SUMWQHHRSA-N 0 3 291.822 3.809 20 30 CHEDHN C#C[C@H](NCc1cscc1C(F)(F)F)C(C)(C)C ZINC000811508106 1130617323 /nfs/dbraw/zinc/61/73/23/1130617323.db2.gz ZZPMPYYHLYNLAG-NSHDSACASA-N 0 3 275.339 3.904 20 30 CHEDHN C#CCN(C)Cc1ccc(N(C)c2ccc(F)cc2)cc1 ZINC001234299254 1130632479 /nfs/dbraw/zinc/63/24/79/1130632479.db2.gz PUZZYCCAUKYSSL-UHFFFAOYSA-N 0 3 282.362 3.659 20 30 CHEDHN CCCCCCCCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000781183610 1130707648 /nfs/dbraw/zinc/70/76/48/1130707648.db2.gz JDLMWOQJVZKYJL-OAHLLOKOSA-N 0 3 280.456 3.504 20 30 CHEDHN C#C[C@H](N[C@H](C)Cc1ccsc1)c1ccc(F)cc1 ZINC000812795350 1130718729 /nfs/dbraw/zinc/71/87/29/1130718729.db2.gz RZDVNOGJJGXPMP-WBMJQRKESA-N 0 3 273.376 3.782 20 30 CHEDHN CCN(Cc1cccs1)Cc1ccccc1CC#N ZINC001235524972 1130751021 /nfs/dbraw/zinc/75/10/21/1130751021.db2.gz IMEMJIPEBCGSKU-UHFFFAOYSA-N 0 3 270.401 3.836 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2c(c1)CCN2 ZINC001235961332 1130818516 /nfs/dbraw/zinc/81/85/16/1130818516.db2.gz AAMUFLVNMRJDJO-UHFFFAOYSA-N 0 3 278.399 3.843 20 30 CHEDHN COc1ccc(CNC(C)(C)c2ccccc2C)cc1C#N ZINC000815148734 1130967000 /nfs/dbraw/zinc/96/70/00/1130967000.db2.gz IBZBSQBGSLIWJA-UHFFFAOYSA-N 0 3 294.398 3.900 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c2ccoc21 ZINC001236899980 1131029602 /nfs/dbraw/zinc/02/96/02/1131029602.db2.gz WMSRRELIZLWUBN-DEZZGGKRSA-N 0 3 284.334 3.838 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccccc2OC(C)(C)C)C1 ZINC001237031184 1131038603 /nfs/dbraw/zinc/03/86/03/1131038603.db2.gz JHJRGAMLYRSMDK-HNNXBMFYSA-N 0 3 271.404 3.709 20 30 CHEDHN [S-]c1ccoc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001237185804 1131066906 /nfs/dbraw/zinc/06/69/06/1131066906.db2.gz IBLKQOMQLKXATA-UHFFFAOYSA-N 0 3 297.423 3.832 20 30 CHEDHN SC1CCN(Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001237273575 1131075320 /nfs/dbraw/zinc/07/53/20/1131075320.db2.gz TVAMYGXELGCPRY-UHFFFAOYSA-N 0 3 292.835 3.782 20 30 CHEDHN Cc1cc(F)cc(C)c1CN(C)Cc1ccc(C#N)cc1 ZINC001237320909 1131082508 /nfs/dbraw/zinc/08/25/08/1131082508.db2.gz SKUXIMVOMSIUEJ-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2c(C)cc(Cl)cc2C)C1 ZINC001237350877 1131088958 /nfs/dbraw/zinc/08/89/58/1131088958.db2.gz UGFYJIIHUDBDLY-CQSZACIVSA-N 0 3 261.796 3.802 20 30 CHEDHN COc1cccc2c1CCC[C@H]2NCc1ccc(C#N)cc1 ZINC000799715483 1131103990 /nfs/dbraw/zinc/10/39/90/1131103990.db2.gz QVATYSDWSLFRCD-GOSISDBHSA-N 0 3 292.382 3.734 20 30 CHEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)ccc1OC(C)C ZINC001237710563 1131132204 /nfs/dbraw/zinc/13/22/04/1131132204.db2.gz DNQYSGSKCSFNFZ-MRXNPFEDSA-N 0 3 286.419 3.908 20 30 CHEDHN COC(C)(C)[C@@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237751296 1131137920 /nfs/dbraw/zinc/13/79/20/1131137920.db2.gz IIOIRIFMTYSXCS-HNNXBMFYSA-N 0 3 292.810 3.601 20 30 CHEDHN CC[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237751996 1131138704 /nfs/dbraw/zinc/13/87/04/1131138704.db2.gz SDHQZQJKUOXRDM-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCN(Cc1cnc(C2CC2)s1)C(C)(C)C ZINC001237791060 1131141042 /nfs/dbraw/zinc/14/10/42/1131141042.db2.gz AHTJABUFBXQNKS-UHFFFAOYSA-N 0 3 250.411 3.807 20 30 CHEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1F ZINC001116375535 1131141793 /nfs/dbraw/zinc/14/17/93/1131141793.db2.gz HZMGGJXUKAHTMX-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN C=C(C)CN(CC)Cc1cccc(-c2ccccn2)n1 ZINC001237835268 1131146062 /nfs/dbraw/zinc/14/60/62/1131146062.db2.gz FJVMPQRZNBFDBD-UHFFFAOYSA-N 0 3 267.376 3.542 20 30 CHEDHN CCOc1cc(CN2CCC[C@H](C#N)CC2)ccc1C ZINC001238071994 1131168619 /nfs/dbraw/zinc/16/86/19/1131168619.db2.gz PNHCAFYUWUNYIN-HNNXBMFYSA-N 0 3 272.392 3.519 20 30 CHEDHN N#Cc1cc(CN2CCC[C@@H]3CCC[C@@H]32)ccc1Cl ZINC001238190448 1131178202 /nfs/dbraw/zinc/17/82/02/1131178202.db2.gz CTSCNWFMIBCVKQ-BBRMVZONSA-N 0 3 274.795 3.976 20 30 CHEDHN C=CCN(C)Cc1cc(C)cnc1-c1ccccc1 ZINC001238624955 1131225378 /nfs/dbraw/zinc/22/53/78/1131225378.db2.gz NLPJPBNYCSVZQW-UHFFFAOYSA-N 0 3 252.361 3.675 20 30 CHEDHN CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CCCN(C)C1 ZINC001136709799 1131424036 /nfs/dbraw/zinc/42/40/36/1131424036.db2.gz YJJAWRUPXJBICH-DLBZAZTESA-N 0 3 296.499 3.974 20 30 CHEDHN Cc1cc(CN2CCC(C#N)CC2)c(C)n1-c1ccccc1 ZINC001137854029 1131424574 /nfs/dbraw/zinc/42/45/74/1131424574.db2.gz FRCAOUHGOKRYKO-UHFFFAOYSA-N 0 3 293.414 3.830 20 30 CHEDHN N#Cc1ccccc1CN[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171018320 1131427417 /nfs/dbraw/zinc/42/74/17/1131427417.db2.gz RUFWSEVQQQVFFG-MRXNPFEDSA-N 0 3 296.801 3.859 20 30 CHEDHN C#CCN(C)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138313035 1131489535 /nfs/dbraw/zinc/48/95/35/1131489535.db2.gz KSXYVAIYIAFIOL-UHFFFAOYSA-N 0 3 254.377 3.530 20 30 CHEDHN Cc1c2ccccc2[nH]c1CN1CCC[C@H](CC#N)C1 ZINC001138401537 1131499465 /nfs/dbraw/zinc/49/94/65/1131499465.db2.gz IJCYAWANTNZHDW-CQSZACIVSA-N 0 3 267.376 3.602 20 30 CHEDHN N#CC1(CN[C@H]2CCc3cc(Cl)ccc3C2)CCCC1 ZINC001171090329 1131514340 /nfs/dbraw/zinc/51/43/40/1131514340.db2.gz HUNVPBIVXHAMKA-INIZCTEOSA-N 0 3 288.822 3.871 20 30 CHEDHN C#CCOc1ccc(CN2Cc3ccccc3[C@H](C)C2)cc1 ZINC001138556439 1131520881 /nfs/dbraw/zinc/52/08/81/1131520881.db2.gz VTVMJIJJOADAMK-MRXNPFEDSA-N 0 3 291.394 3.818 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1[O-] ZINC001138629466 1131529561 /nfs/dbraw/zinc/52/95/61/1131529561.db2.gz ZVCBBOFEMFNFRN-MRXNPFEDSA-N 0 3 294.398 3.505 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1[O-] ZINC001138629466 1131529566 /nfs/dbraw/zinc/52/95/66/1131529566.db2.gz ZVCBBOFEMFNFRN-MRXNPFEDSA-N 0 3 294.398 3.505 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1[O-] ZINC001138629465 1131530175 /nfs/dbraw/zinc/53/01/75/1131530175.db2.gz ZVCBBOFEMFNFRN-INIZCTEOSA-N 0 3 294.398 3.505 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1[O-] ZINC001138629465 1131530180 /nfs/dbraw/zinc/53/01/80/1131530180.db2.gz ZVCBBOFEMFNFRN-INIZCTEOSA-N 0 3 294.398 3.505 20 30 CHEDHN C=C(C)COc1ccccc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001138661997 1131533681 /nfs/dbraw/zinc/53/36/81/1131533681.db2.gz MJZIQHLQSUNZKK-CABCVRRESA-N 0 3 293.357 3.729 20 30 CHEDHN C=CCN(CC=C)Cc1c[nH]c2c1cccc2Cl ZINC001138833574 1131554757 /nfs/dbraw/zinc/55/47/57/1131554757.db2.gz FIMHRGNXPYVTDO-UHFFFAOYSA-N 0 3 260.768 3.995 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(OCC(C)C)cc1 ZINC001138971478 1131567093 /nfs/dbraw/zinc/56/70/93/1131567093.db2.gz NPMVPXBGEZBVGK-UHFFFAOYSA-N 0 3 259.393 3.895 20 30 CHEDHN C=CCOc1ccccc1C[N@H+](CC)Cc1ccccc1[O-] ZINC001139030011 1131575152 /nfs/dbraw/zinc/57/51/52/1131575152.db2.gz BXEWNPRJKNFCLZ-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C=CCOc1ccccc1C[N@@H+](CC)Cc1ccccc1[O-] ZINC001139030011 1131575156 /nfs/dbraw/zinc/57/51/56/1131575156.db2.gz BXEWNPRJKNFCLZ-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN CCc1cc(CN2CCC[C@H](C#N)CC2)cc(CC)c1O ZINC001144151571 1131592512 /nfs/dbraw/zinc/59/25/12/1131592512.db2.gz YLOMGPISQXNJMU-AWEZNQCLSA-N 0 3 286.419 3.643 20 30 CHEDHN N#CC1(CN[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171147198 1131592599 /nfs/dbraw/zinc/59/25/99/1131592599.db2.gz DBJWZMIFKNQJRR-LBPRGKRZSA-N 0 3 295.213 3.744 20 30 CHEDHN CCCCN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC001144160252 1131593940 /nfs/dbraw/zinc/59/39/40/1131593940.db2.gz CLCMRHRFMSDHBY-UHFFFAOYSA-N 0 3 279.387 3.756 20 30 CHEDHN CC(C)N(Cc1cccc(Cl)c1C#N)C1CCOCC1 ZINC001139692971 1131629644 /nfs/dbraw/zinc/62/96/44/1131629644.db2.gz NVDMCASDPVUBIE-UHFFFAOYSA-N 0 3 292.810 3.601 20 30 CHEDHN CC[N@H+](Cc1ccc(C)c(C#N)c1)Cc1ccccc1[O-] ZINC001139725791 1131632020 /nfs/dbraw/zinc/63/20/20/1131632020.db2.gz CHAYWQHTLBCHCI-UHFFFAOYSA-N 0 3 280.371 3.594 20 30 CHEDHN CC[N@@H+](Cc1ccc(C)c(C#N)c1)Cc1ccccc1[O-] ZINC001139725791 1131632022 /nfs/dbraw/zinc/63/20/22/1131632022.db2.gz CHAYWQHTLBCHCI-UHFFFAOYSA-N 0 3 280.371 3.594 20 30 CHEDHN C=CCn1cc(CN(C)CCCCCCCC)cn1 ZINC001139770162 1131636405 /nfs/dbraw/zinc/63/64/05/1131636405.db2.gz FTYBYHHPQKIJJU-UHFFFAOYSA-N 0 3 263.429 3.861 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc(C)cn1 ZINC001139838774 1131639854 /nfs/dbraw/zinc/63/98/54/1131639854.db2.gz RILPOJWXCNMGOO-UHFFFAOYSA-N 0 3 266.388 3.968 20 30 CHEDHN N#Cc1cc(F)cc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001139876471 1131645666 /nfs/dbraw/zinc/64/56/66/1131645666.db2.gz ZROLDFMAZGBCTA-IYBDPMFKSA-N 0 3 292.357 3.784 20 30 CHEDHN C=CCCCCN(C)Cc1cc(C(F)(F)F)ccn1 ZINC001140108004 1131664522 /nfs/dbraw/zinc/66/45/22/1131664522.db2.gz AXDAYPJDGHYRDQ-UHFFFAOYSA-N 0 3 272.314 3.889 20 30 CHEDHN C[C@H]1CN(Cc2c[nH]c3ccc(C#N)cc23)CCC1(F)F ZINC001140110961 1131665950 /nfs/dbraw/zinc/66/59/50/1131665950.db2.gz VWZBPSCLKNETOR-NSHDSACASA-N 0 3 289.329 3.517 20 30 CHEDHN C=CCN(Cc1ncn2ccccc12)C1CCCCC1 ZINC001144627252 1131667942 /nfs/dbraw/zinc/66/79/42/1131667942.db2.gz KVWJKVBYKYPACJ-UHFFFAOYSA-N 0 3 269.392 3.655 20 30 CHEDHN C=CC[C@@H](NCc1cccc2c1CCC2)c1ccncc1 ZINC000845942119 1131672767 /nfs/dbraw/zinc/67/27/67/1131672767.db2.gz QKUWCKYMNVEZAM-LJQANCHMSA-N 0 3 278.399 3.977 20 30 CHEDHN C=CC[C@H]1CC[C@@H](NCc2cc(F)cnc2Cl)C1 ZINC000845978283 1131675059 /nfs/dbraw/zinc/67/50/59/1131675059.db2.gz JRUIUJSLTLUBJY-GXFFZTMASA-N 0 3 268.763 3.709 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846108851 1131686172 /nfs/dbraw/zinc/68/61/72/1131686172.db2.gz RWSPHSIPBLYTHJ-INIZCTEOSA-N 0 3 293.357 3.873 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC001171220878 1131706583 /nfs/dbraw/zinc/70/65/83/1131706583.db2.gz FGIOVQBKTDJXPL-IUODEOHRSA-N 0 3 296.336 3.764 20 30 CHEDHN CCCCCCCCC/C=C/C(=O)N[C@@H]1CCCN(C)C1 ZINC001144808425 1131709504 /nfs/dbraw/zinc/70/95/04/1131709504.db2.gz VOTIQHQJEVILJF-GWKQRERASA-N 0 3 294.483 3.894 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(C)nc2C)cc1 ZINC000834890057 1131719169 /nfs/dbraw/zinc/71/91/69/1131719169.db2.gz IKBLYHDOZPIBBC-HNNXBMFYSA-N 0 3 294.398 3.561 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834895195 1131721012 /nfs/dbraw/zinc/72/10/12/1131721012.db2.gz XGDPLVFEHLUWLA-DFBGVHRSSA-N 0 3 295.810 3.738 20 30 CHEDHN C#CC1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140446201 1131740229 /nfs/dbraw/zinc/74/02/29/1131740229.db2.gz FCCIHPNNSAUQCV-UHFFFAOYSA-N 0 3 272.779 3.667 20 30 CHEDHN Cc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)nc1 ZINC001140541830 1131785877 /nfs/dbraw/zinc/78/58/77/1131785877.db2.gz VLSNJHIALTVJCT-GOSISDBHSA-N 0 3 277.371 3.599 20 30 CHEDHN CC(C)(C)N(Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140540586 1131786016 /nfs/dbraw/zinc/78/60/16/1131786016.db2.gz CFTBDBRDIGEAMP-UHFFFAOYSA-N 0 3 279.387 3.754 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccc3)CC2)cn1 ZINC001140545829 1131787125 /nfs/dbraw/zinc/78/71/25/1131787125.db2.gz MJDFYVJHYWBCTC-SFHVURJKSA-N 0 3 291.398 3.723 20 30 CHEDHN N#Cc1ccc(CN(Cc2ccccc2)C2CCC2)cn1 ZINC001140546757 1131787981 /nfs/dbraw/zinc/78/79/81/1131787981.db2.gz UCZUQMNRCUYCJE-UHFFFAOYSA-N 0 3 277.371 3.508 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(C(=O)OCC)[nH]1 ZINC001140688588 1131861031 /nfs/dbraw/zinc/86/10/31/1131861031.db2.gz UEBKVXWJBHXWEC-UHFFFAOYSA-N 0 3 280.412 3.594 20 30 CHEDHN CN1CCC[C@@H](Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228565285 1131910340 /nfs/dbraw/zinc/91/03/40/1131910340.db2.gz RIYGPALHJRGEOZ-GOSISDBHSA-N 0 3 294.398 3.910 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2coc3ccccc23)CC1 ZINC001140786926 1131917541 /nfs/dbraw/zinc/91/75/41/1131917541.db2.gz QFZQZWAZXNXDSW-CYBMUJFWSA-N 0 3 254.333 3.558 20 30 CHEDHN CN(Cc1cccc(C#N)c1Cl)C[C@@H]1CC1(C)C ZINC001140812775 1131930051 /nfs/dbraw/zinc/93/00/51/1131930051.db2.gz KJGAVMVUQHTREN-ZDUSSCGKSA-N 0 3 262.784 3.690 20 30 CHEDHN CN(Cc1cccc(C#N)c1Cl)C[C@H]1CC1(C)C ZINC001140812774 1131932684 /nfs/dbraw/zinc/93/26/84/1131932684.db2.gz KJGAVMVUQHTREN-CYBMUJFWSA-N 0 3 262.784 3.690 20 30 CHEDHN C[C@@H]1CCCN(Cc2cccc(C#N)c2Cl)[C@@H]1C ZINC001140811401 1131933409 /nfs/dbraw/zinc/93/34/09/1131933409.db2.gz RSXHWULNFOPHBV-VXGBXAGGSA-N 0 3 262.784 3.832 20 30 CHEDHN CC1=CCC[C@@H](C)[C@H]1C=Nn1cnnc1-c1ccccc1 ZINC000773190430 1131981993 /nfs/dbraw/zinc/98/19/93/1131981993.db2.gz NUNWXZVEIUEKOP-ZBFHGGJFSA-N 0 3 280.375 3.771 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1ccccc1OC ZINC000036995058 1131988209 /nfs/dbraw/zinc/98/82/09/1131988209.db2.gz VIQRXALIJAGLIF-QGZVFWFLSA-N 0 3 280.371 3.808 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2c(Cl)cccc2OCC)C1 ZINC001171488987 1132036956 /nfs/dbraw/zinc/03/69/56/1132036956.db2.gz BVNBFDXFUQIUDL-AWEZNQCLSA-N 0 3 291.822 3.974 20 30 CHEDHN C=CCC[C@@H](CC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301832 1132049639 /nfs/dbraw/zinc/04/96/39/1132049639.db2.gz CXCXWNAJJIBJLD-MRXNPFEDSA-N 0 3 289.419 3.945 20 30 CHEDHN Cc1cc(Cl)ccc1CN1CCC(S)CC1 ZINC001141231441 1132052197 /nfs/dbraw/zinc/05/21/97/1132052197.db2.gz PSMDCXRVDGSTNR-UHFFFAOYSA-N 0 3 255.814 3.543 20 30 CHEDHN Cc1cccc2c1CC[C@@H](NC1(CC#N)CCCC1)C2 ZINC001171563498 1132055053 /nfs/dbraw/zinc/05/50/53/1132055053.db2.gz JVIBRWHHFPKTAI-MRXNPFEDSA-N 0 3 268.404 3.668 20 30 CHEDHN CCCCN(CCC#N)[C@H]1CCc2c(C)cccc2C1 ZINC001171571324 1132059390 /nfs/dbraw/zinc/05/93/90/1132059390.db2.gz VOAZOYRKTYLZIG-KRWDZBQOSA-N 0 3 270.420 3.868 20 30 CHEDHN CC(C)C[C@](C)(C#N)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171741440 1132098187 /nfs/dbraw/zinc/09/81/87/1132098187.db2.gz PNQZTMVZCLENJF-YTQUADARSA-N 0 3 299.462 3.567 20 30 CHEDHN CCCCN(CCC#N)[C@H](C)CCO[C@H](C)CC ZINC001172343776 1132178955 /nfs/dbraw/zinc/17/89/55/1132178955.db2.gz UYCSGALORHZQNY-HUUCEWRRSA-N 0 3 254.418 3.596 20 30 CHEDHN CCCCN(CCC#N)[C@@H](C)CCO[C@@H](C)CC ZINC001172343775 1132179598 /nfs/dbraw/zinc/17/95/98/1132179598.db2.gz UYCSGALORHZQNY-GJZGRUSLSA-N 0 3 254.418 3.596 20 30 CHEDHN CCCCCCC[C@@H](CC)n1nc(CN)cc1C ZINC001172347367 1132180194 /nfs/dbraw/zinc/18/01/94/1132180194.db2.gz UHSUIQCXGAQJNC-OAHLLOKOSA-N 0 3 251.418 3.962 20 30 CHEDHN CCCCCCC[C@@H](CC)N1CCc2nn(C)cc2C1 ZINC001172356124 1132185351 /nfs/dbraw/zinc/18/53/51/1132185351.db2.gz ULEZYBBTYNKXRI-MRXNPFEDSA-N 0 3 277.456 3.917 20 30 CHEDHN C[C@H](CCCC#N)NCc1c(F)cc(Cl)cc1F ZINC001172482697 1132228746 /nfs/dbraw/zinc/22/87/46/1132228746.db2.gz JKDLYQLJGGWIBR-SECBINFHSA-N 0 3 272.726 3.790 20 30 CHEDHN C[C@@H](CCCC#N)N[C@H](c1ccccc1)c1ccccn1 ZINC001172482421 1132229155 /nfs/dbraw/zinc/22/91/55/1132229155.db2.gz GONQGGILBSYWQA-MAUKXSAKSA-N 0 3 279.387 3.843 20 30 CHEDHN C[C@H](CCCC#N)N[C@@H](C)c1c(F)cccc1F ZINC001172484293 1132231188 /nfs/dbraw/zinc/23/11/88/1132231188.db2.gz CAEDFGLSTBGSSV-MNOVXSKESA-N 0 3 252.308 3.698 20 30 CHEDHN C[C@@H](CCCC#N)NCc1c(Cl)cncc1Cl ZINC001172489907 1132247320 /nfs/dbraw/zinc/24/73/20/1132247320.db2.gz SEPVGDDKQANYII-VIFPVBQESA-N 0 3 272.179 3.560 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(COC(C)=O)o1 ZINC001141787100 1132248013 /nfs/dbraw/zinc/24/80/13/1132248013.db2.gz HJQIJGQEYJOMCI-UHFFFAOYSA-N 0 3 281.396 3.745 20 30 CHEDHN CCCCCCCC[C@H](CC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172505243 1132254398 /nfs/dbraw/zinc/25/43/98/1132254398.db2.gz KXZDIEZVJSVMJV-HOTGVXAUSA-N 0 3 295.471 3.617 20 30 CHEDHN CCCCCCC[C@@H](CCC)n1cc(CN)cnc1=N ZINC001172509264 1132257873 /nfs/dbraw/zinc/25/78/73/1132257873.db2.gz UWMXNJNSSGCEHL-OAHLLOKOSA-N 0 3 278.444 3.523 20 30 CHEDHN CSc1nc(CN2CCC[C@@H](C)[C@@H](C)C2)ccc1C#N ZINC001141932061 1132270730 /nfs/dbraw/zinc/27/07/30/1132270730.db2.gz RVTDQKKAQYNFIB-OLZOCXBDSA-N 0 3 289.448 3.543 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cnccc2C)c([O-])c1 ZINC000840709916 1132275062 /nfs/dbraw/zinc/27/50/62/1132275062.db2.gz OZPGGXPQFKAJRX-JAIQZWGSSA-N 0 3 297.402 3.561 20 30 CHEDHN C[C@@]1(C#N)CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172545435 1132278480 /nfs/dbraw/zinc/27/84/80/1132278480.db2.gz ABKHXRSYYNYWGX-KURKYZTESA-N 0 3 268.404 3.948 20 30 CHEDHN N#CCC1(N[C@H]2Cc3ccc(Cl)cc3C2)CCCC1 ZINC001172717329 1132293701 /nfs/dbraw/zinc/29/37/01/1132293701.db2.gz WFWJFEWJTGEGOU-HNNXBMFYSA-N 0 3 274.795 3.623 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc(Cl)nn1 ZINC001142071045 1132311803 /nfs/dbraw/zinc/31/18/03/1132311803.db2.gz QINAXYPEKBSLNU-UHFFFAOYSA-N 0 3 269.820 3.922 20 30 CHEDHN Cc1nc2ccc(Nc3cc(F)ccc3C#N)cc2[nH]1 ZINC001213074208 1132324969 /nfs/dbraw/zinc/32/49/69/1132324969.db2.gz JICIIWWACKXGJG-UHFFFAOYSA-N 0 3 266.279 3.626 20 30 CHEDHN COc1cc(C#N)ccc1CN(C)CCc1cccc(C)c1 ZINC001231620368 1132325805 /nfs/dbraw/zinc/32/58/05/1132325805.db2.gz XRVGZQARVJUSSI-UHFFFAOYSA-N 0 3 294.398 3.550 20 30 CHEDHN C=CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001231621801 1132329025 /nfs/dbraw/zinc/32/90/25/1132329025.db2.gz JVCPRAROUDIMHJ-GASCZTMLSA-N 0 3 293.357 3.729 20 30 CHEDHN Cc1sc2ccccc2c1CN1CCC(C#N)CC1 ZINC001231643845 1132330656 /nfs/dbraw/zinc/33/06/56/1132330656.db2.gz BOCIYRCDFMECQM-UHFFFAOYSA-N 0 3 270.401 3.945 20 30 CHEDHN CCCCCCCCN(C)Cc1cc(OC)ccn1 ZINC001231967735 1132403482 /nfs/dbraw/zinc/40/34/82/1132403482.db2.gz IXMZXGCDPFTDEL-UHFFFAOYSA-N 0 3 264.413 3.883 20 30 CHEDHN C[C@@]1(C#N)CCN(C2CCC(Oc3ccccc3)CC2)C1 ZINC001173207048 1132415225 /nfs/dbraw/zinc/41/52/25/1132415225.db2.gz YQFLKWNPRJFQSP-VJFUWPCTSA-N 0 3 284.403 3.612 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1nccc2ccccc21 ZINC001232252246 1132445524 /nfs/dbraw/zinc/44/55/24/1132445524.db2.gz NWRJOWMHEAVXIW-MKZZRHPPSA-N 0 3 277.371 3.501 20 30 CHEDHN N#CC(C(=O)C=CC1CCCC1)c1cnc2ccccc2n1 ZINC000842776792 1132461247 /nfs/dbraw/zinc/46/12/47/1132461247.db2.gz ZWZXEZAZKQYRTO-CFYYFVFUSA-N 0 3 291.354 3.552 20 30 CHEDHN C=CCOC1CCC(N2CCC[C@H]2c2nccs2)CC1 ZINC001173326568 1132461684 /nfs/dbraw/zinc/46/16/84/1132461684.db2.gz KSONODOEMPWDDB-NRXISQOPSA-N 0 3 292.448 3.794 20 30 CHEDHN N#CCC1CCC(n2nc(-c3ccccc3)cc2CN)CC1 ZINC001173328118 1132462979 /nfs/dbraw/zinc/46/29/79/1132462979.db2.gz OHOWYVPSWSOJNP-UHFFFAOYSA-N 0 3 294.402 3.654 20 30 CHEDHN N#Cc1ccc2c(CN3C4CCCC3CCC4)c[nH]c2c1 ZINC001142926030 1132478825 /nfs/dbraw/zinc/47/88/25/1132478825.db2.gz IDIQVQKWBKZAPV-UHFFFAOYSA-N 0 3 279.387 3.947 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cc(F)ccc1N ZINC001232510367 1132481894 /nfs/dbraw/zinc/48/18/94/1132481894.db2.gz BRILPPXJWJUIET-UHFFFAOYSA-N 0 3 284.378 3.986 20 30 CHEDHN CCCCCCCCN(C)Cc1cc2c(cn1)OCCO2 ZINC001143064509 1132495853 /nfs/dbraw/zinc/49/58/53/1132495853.db2.gz YXVDFDQGMXGXNK-UHFFFAOYSA-N 0 3 292.423 3.645 20 30 CHEDHN CN(Cc1ccc2ncsc2c1)Cc1cccc(C#N)c1 ZINC001232743805 1132514758 /nfs/dbraw/zinc/51/47/58/1132514758.db2.gz FYMDNYCCQIERSW-UHFFFAOYSA-N 0 3 293.395 3.800 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)c(OC)c2)C1 ZINC001143349716 1132538136 /nfs/dbraw/zinc/53/81/36/1132538136.db2.gz QCWBKBLSFZNFMB-GFCCVEGCSA-N 0 3 297.320 3.559 20 30 CHEDHN Cc1cccc(CCN(C)Cc2ccc(C)cc2C#N)c1 ZINC001232966505 1132551620 /nfs/dbraw/zinc/55/16/20/1132551620.db2.gz OOIFYYZEBOOOJO-UHFFFAOYSA-N 0 3 278.399 3.850 20 30 CHEDHN Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)c(C#N)c1 ZINC001232967498 1132553061 /nfs/dbraw/zinc/55/30/61/1132553061.db2.gz ODFWKNHOUWBFFP-KRWDZBQOSA-N 0 3 294.373 3.995 20 30 CHEDHN Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(C#N)c1 ZINC001232967178 1132553397 /nfs/dbraw/zinc/55/33/97/1132553397.db2.gz GCYJGUNFLYKJJQ-YOEHRIQHSA-N 0 3 254.377 3.631 20 30 CHEDHN Cc1cnsc1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001233320790 1132598908 /nfs/dbraw/zinc/59/89/08/1132598908.db2.gz NPSDJNAGPNTWKO-UHFFFAOYSA-N 0 3 297.427 3.703 20 30 CHEDHN CN(C)Cc1ccccc1Nc1c(F)ccc(F)c1C#N ZINC001173931087 1132644423 /nfs/dbraw/zinc/64/44/23/1132644423.db2.gz URKQUZKYPVSDQM-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN N#Cc1ccc(F)c(CN2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000250910943 1133109882 /nfs/dbraw/zinc/10/98/82/1133109882.db2.gz XPJUEDMOBIDFJA-CABCVRRESA-N 0 3 272.367 3.709 20 30 CHEDHN COc1ccc2c(c1)CN(Cc1ccc(C#N)cc1)CCC2 ZINC001203906285 1133383790 /nfs/dbraw/zinc/38/37/90/1133383790.db2.gz MHEYIHOMRQKNQM-UHFFFAOYSA-N 0 3 292.382 3.515 20 30 CHEDHN Cc1cccc([C@@H]2CCCN2Cc2cccc(C#N)n2)c1C ZINC001204250826 1133423852 /nfs/dbraw/zinc/42/38/52/1133423852.db2.gz UFOSJRRSBJSDTD-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN CCCCCCCCN(C)Cc1cn(C)nc1C ZINC001204578734 1133463956 /nfs/dbraw/zinc/46/39/56/1133463956.db2.gz GYTKHKFJHSSFPN-UHFFFAOYSA-N 0 3 251.418 3.521 20 30 CHEDHN C=CCCCCCN(C)Cc1cnc(F)cc1C ZINC001204768613 1133482595 /nfs/dbraw/zinc/48/25/95/1133482595.db2.gz LKYJYTKDLSKLRG-UHFFFAOYSA-N 0 3 250.361 3.707 20 30 CHEDHN CCCCCCC[C@@H](CC)OCCCN1CCN(C)CC1 ZINC001206591387 1133724129 /nfs/dbraw/zinc/72/41/29/1133724129.db2.gz SUMNNEXAKJKQKK-GOSISDBHSA-N 0 3 298.515 3.780 20 30 CHEDHN C#CC[C@H]1CCN(Cc2sc(C)cc2Br)C1 ZINC001206800766 1133749491 /nfs/dbraw/zinc/74/94/91/1133749491.db2.gz MRLHYNNQIYUXJN-NSHDSACASA-N 0 3 298.249 3.664 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H](C3CCCCC3)C2)n1 ZINC001206790721 1133750020 /nfs/dbraw/zinc/75/00/20/1133750020.db2.gz WKSBTEMPDSRQRG-INIZCTEOSA-N 0 3 283.419 3.746 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cc(OC)c(OC)cc2Cl)C1 ZINC001206801727 1133751451 /nfs/dbraw/zinc/75/14/51/1133751451.db2.gz ZBDPCGFGHOSQSQ-LBPRGKRZSA-N 0 3 295.810 3.755 20 30 CHEDHN C=CCN(CCOCc1ccccc1)Cc1ccccc1 ZINC001207236726 1133781237 /nfs/dbraw/zinc/78/12/37/1133781237.db2.gz UFVLKGFAOAHYHP-UHFFFAOYSA-N 0 3 281.399 3.891 20 30 CHEDHN C=CCCCC[C@H](C)NCc1cc(C(F)(F)F)n(C)n1 ZINC001207758048 1133846511 /nfs/dbraw/zinc/84/65/11/1133846511.db2.gz RGWSLSYDNAJODG-NSHDSACASA-N 0 3 289.345 3.663 20 30 CHEDHN CC/C=C\CCCN1CCc2ccc(C#N)cc2C1 ZINC001208133893 1133883324 /nfs/dbraw/zinc/88/33/24/1133883324.db2.gz GHXDDHWOSFOCJF-ARJAWSKDSA-N 0 3 254.377 3.663 20 30 CHEDHN C=CCCCCCCCCN1C[C@H](CO)C[C@H](F)C1 ZINC001209443182 1134021574 /nfs/dbraw/zinc/02/15/74/1134021574.db2.gz NZCKSJJSNUXWDZ-CVEARBPZSA-N 0 3 271.420 3.555 20 30 CHEDHN C=CCCCCCCCCN1CCOC2(CCOCC2)C1 ZINC001209444980 1134025162 /nfs/dbraw/zinc/02/51/62/1134025162.db2.gz BGZCMXPNZUVGLW-UHFFFAOYSA-N 0 3 295.467 3.785 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001209654218 1134046439 /nfs/dbraw/zinc/04/64/39/1134046439.db2.gz GUZDTHOYESRNHA-GFCCVEGCSA-N 0 3 287.794 3.947 20 30 CHEDHN C#CC1CCN(Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209725594 1134055539 /nfs/dbraw/zinc/05/55/39/1134055539.db2.gz PJVRFZAYDSWSAP-UHFFFAOYSA-N 0 3 272.779 3.667 20 30 CHEDHN Cc1nc2ccc(Nc3ccc(C#N)cc3C)cc2[nH]1 ZINC001213073185 1134420401 /nfs/dbraw/zinc/42/04/01/1134420401.db2.gz IOCNHGMHTRAGDN-UHFFFAOYSA-N 0 3 262.316 3.795 20 30 CHEDHN CCCCCCCCCCO[C@@H]1CCNC[C@H]1F ZINC001217794356 1135002052 /nfs/dbraw/zinc/00/20/52/1135002052.db2.gz LLVKLZJCSJDHCP-HUUCEWRRSA-N 0 3 259.409 3.844 20 30 CHEDHN CCCCCCCCCCO[C@H]1CCNC[C@H]1F ZINC001217794354 1135002216 /nfs/dbraw/zinc/00/22/16/1135002216.db2.gz LLVKLZJCSJDHCP-CABCVRRESA-N 0 3 259.409 3.844 20 30 CHEDHN CC(=O)/C=C/c1ccc(O[C@@H]2CNCc3ccccc32)cc1 ZINC001218485735 1135113501 /nfs/dbraw/zinc/11/35/01/1135113501.db2.gz FAALDYUAFXVIRT-OVKVCFKUSA-N 0 3 293.366 3.512 20 30 CHEDHN CC(C)c1c(C#N)cccc1O[C@H]1CNCc2ccccc21 ZINC001218493677 1135117912 /nfs/dbraw/zinc/11/79/12/1135117912.db2.gz VKVLFLBXDVPNKR-SFHVURJKSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCCCO[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224510409 1135455514 /nfs/dbraw/zinc/45/55/14/1135455514.db2.gz ZZUBFBKUGRTTPS-CVEARBPZSA-N 0 3 274.408 3.590 20 30 CHEDHN C[NH+](C)CC[C@@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001226114704 1135664022 /nfs/dbraw/zinc/66/40/22/1135664022.db2.gz PIXARZKZPWXOBH-XWALVKJWSA-N 0 3 298.386 3.567 20 30 CHEDHN COc1cc(CN[C@H]2c3ccccc3C[C@H]2C)ccc1C#N ZINC000573648344 334954723 /nfs/dbraw/zinc/95/47/23/334954723.db2.gz RHEZLLLZZYFQQW-BFUOFWGJSA-N 0 3 292.382 3.590 20 30 CHEDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CCC#N)CC1 ZINC000574449557 335020432 /nfs/dbraw/zinc/02/04/32/335020432.db2.gz CTVOMVQMABIMAO-CYBMUJFWSA-N 0 3 287.363 3.672 20 30 CHEDHN C=CC[C@H](C)NCc1ccc(CSC(F)F)o1 ZINC000116927747 260006906 /nfs/dbraw/zinc/00/69/06/260006906.db2.gz OMZKYAXUBFZJRV-VIFPVBQESA-N 0 3 261.337 3.790 20 30 CHEDHN C=CCC[C@H](CC)NCc1cc(COC(C)(C)C)on1 ZINC000186829885 260013168 /nfs/dbraw/zinc/01/31/68/260013168.db2.gz UUGIFCNGWRVYLX-ZDUSSCGKSA-N 0 3 280.412 3.824 20 30 CHEDHN Cc1cc(CN2CCC=C(c3ccco3)C2)ccc1C#N ZINC000352545078 533598028 /nfs/dbraw/zinc/59/80/28/533598028.db2.gz VVKBLJYWOUVBGJ-UHFFFAOYSA-N 0 3 278.355 3.749 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(F)cc1 ZINC000341756594 130024660 /nfs/dbraw/zinc/02/46/60/130024660.db2.gz FULNIJUBNDNOPV-GOSISDBHSA-N 0 3 280.346 3.865 20 30 CHEDHN C[C@H](NCc1cc(C#N)cs1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000344710318 225153370 /nfs/dbraw/zinc/15/33/70/225153370.db2.gz XAFPZFHNGWQCOM-BWACUDIHSA-N 0 3 298.411 3.663 20 30 CHEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000334773865 225317062 /nfs/dbraw/zinc/31/70/62/225317062.db2.gz SUYPYTCLOSXNOX-SMDDNHRTSA-N 0 3 276.767 3.553 20 30 CHEDHN C[C@H](NCC1(C(F)(F)F)CC1)c1ccc(C#N)cc1F ZINC000353988362 227082978 /nfs/dbraw/zinc/08/29/78/227082978.db2.gz VCMJGEVBXSKSGB-VIFPVBQESA-N 0 3 286.272 3.690 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1 ZINC000335953483 228169376 /nfs/dbraw/zinc/16/93/76/228169376.db2.gz SEWJUUZMJGBBCQ-ORAYPTAESA-N 0 3 292.382 3.992 20 30 CHEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000335987672 228175198 /nfs/dbraw/zinc/17/51/98/228175198.db2.gz QDUGZINOSYMBNE-SJXIGLKTSA-N 0 3 288.416 3.692 20 30 CHEDHN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC1CCC(C)(C#N)CC1 ZINC000336219290 228215852 /nfs/dbraw/zinc/21/58/52/228215852.db2.gz KNNGZLKGZMFKHI-QQBRFCFWSA-N 0 3 288.366 3.710 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(N(C)C)c1 ZINC000173582808 260029554 /nfs/dbraw/zinc/02/95/54/260029554.db2.gz GCMALUSCVSWEJL-OAHLLOKOSA-N 0 3 293.414 3.817 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000037284503 260079519 /nfs/dbraw/zinc/07/95/19/260079519.db2.gz IHFGCHCUKCDRQJ-UONOGXRCSA-N 0 3 275.355 3.842 20 30 CHEDHN CC(C)(C#N)CCN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000363468735 260275025 /nfs/dbraw/zinc/27/50/25/260275025.db2.gz MHYIJVZUGHCXGN-DLBZAZTESA-N 0 3 286.419 3.514 20 30 CHEDHN CCc1nc(C)c([C@H](C)N(C)CCCSCC#N)s1 ZINC000080632013 260316943 /nfs/dbraw/zinc/31/69/43/260316943.db2.gz LEGKBTIMJMFOAN-LBPRGKRZSA-N 0 3 297.493 3.654 20 30 CHEDHN N#Cc1ccc(CNCc2cc3c(s2)CCCC3)cc1 ZINC000518275223 260367368 /nfs/dbraw/zinc/36/73/68/260367368.db2.gz LMHINYYRNBUVPF-UHFFFAOYSA-N 0 3 282.412 3.788 20 30 CHEDHN CCN(CCOCC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000409446470 260405725 /nfs/dbraw/zinc/40/57/25/260405725.db2.gz PMAJCHDLKOBZFP-HNNXBMFYSA-N 0 3 274.408 3.614 20 30 CHEDHN Cc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000155765770 261107401 /nfs/dbraw/zinc/10/74/01/261107401.db2.gz QIWBIWAFVGXOPW-ZDUSSCGKSA-N 0 3 299.399 3.821 20 30 CHEDHN C=CCSCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000173389221 261162750 /nfs/dbraw/zinc/16/27/50/261162750.db2.gz WMUNRKBHZVGLJZ-JTQLQIEISA-N 0 3 257.349 3.535 20 30 CHEDHN CN(Cc1ccc(F)cc1C#N)[C@H]1CCC(C)(C)C1 ZINC000361468311 261282657 /nfs/dbraw/zinc/28/26/57/261282657.db2.gz GFXYJOWJODKQAC-HNNXBMFYSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)cc1F ZINC000302032609 261346005 /nfs/dbraw/zinc/34/60/05/261346005.db2.gz SOOSMCDQEIWFJT-CQSZACIVSA-N 0 3 297.377 3.630 20 30 CHEDHN C[C@H](NCCCSCC#N)c1ccccc1Cl ZINC000174111246 261558301 /nfs/dbraw/zinc/55/83/01/261558301.db2.gz WRQRVFCOLQVTQD-NSHDSACASA-N 0 3 268.813 3.637 20 30 CHEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cccnc1 ZINC000181395039 261896628 /nfs/dbraw/zinc/89/66/28/261896628.db2.gz YCNUJGVNOIWRMD-CQSZACIVSA-N 0 3 297.427 3.537 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccccc1SC ZINC000184086083 262008327 /nfs/dbraw/zinc/00/83/27/262008327.db2.gz PLKLZFJKENXKFS-TZMCWYRMSA-N 0 3 262.422 3.621 20 30 CHEDHN CC(C)c1nc([C@H](C)NCCCCC#N)cs1 ZINC000184726193 262027990 /nfs/dbraw/zinc/02/79/90/262027990.db2.gz VPZOYXRWJXBPEN-NSHDSACASA-N 0 3 251.399 3.611 20 30 CHEDHN C[C@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)o1 ZINC000185085646 262040260 /nfs/dbraw/zinc/04/02/60/262040260.db2.gz LHVNIZDOLVDOAW-UGSOOPFHSA-N 0 3 280.371 3.955 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Br)cc2)C1 ZINC000185799832 262072143 /nfs/dbraw/zinc/07/21/43/262072143.db2.gz LOBDTWMQQPJCTK-OCCSQVGLSA-N 0 3 293.208 3.621 20 30 CHEDHN C=CCC[C@@H](NC[C@H](CC)N1CCCC1)c1ccco1 ZINC000514084609 262092820 /nfs/dbraw/zinc/09/28/20/262092820.db2.gz RAVYVCIOUVLPBE-JKSUJKDBSA-N 0 3 276.424 3.751 20 30 CHEDHN CC(C#N)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000335844696 262190072 /nfs/dbraw/zinc/19/00/72/262190072.db2.gz LRIMGFNKNIWIJD-IUCAKERBSA-N 0 3 297.185 3.599 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NC2(c3ccccc3)CCC2)C1 ZINC000193088507 262215913 /nfs/dbraw/zinc/21/59/13/262215913.db2.gz USALYLDUBPUTKC-GDBMZVCRSA-N 0 3 254.377 3.738 20 30 CHEDHN CCN(C[C@@H]1CCC(C)(C)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000184651337 262290215 /nfs/dbraw/zinc/29/02/15/262290215.db2.gz YUOWKNAGNAXTHI-YOEHRIQHSA-N 0 3 286.419 3.899 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2cc(Br)cs2)C1 ZINC000185783921 262308568 /nfs/dbraw/zinc/30/85/68/262308568.db2.gz JZHIOKGYHIYQKK-MWLCHTKSSA-N 0 3 299.237 3.683 20 30 CHEDHN C=CC[C@H](CO)N[C@H](C)c1cccc(Cl)c1Cl ZINC000186706988 262321305 /nfs/dbraw/zinc/32/13/05/262321305.db2.gz UMCMPZHQTFVHKC-NXEZZACHSA-N 0 3 274.191 3.581 20 30 CHEDHN N#Cc1csc(CNC[C@H]2CCCCC2(F)F)c1 ZINC000390890863 262359364 /nfs/dbraw/zinc/35/93/64/262359364.db2.gz YIAVROQLYYHKJM-LLVKDONJSA-N 0 3 270.348 3.535 20 30 CHEDHN COc1cc(CN2CCCc3ccccc3C2)ccc1C#N ZINC000319833823 262373300 /nfs/dbraw/zinc/37/33/00/262373300.db2.gz FRELGNKHLMIXCO-UHFFFAOYSA-N 0 3 292.382 3.515 20 30 CHEDHN C[C@@H]1C[C@H](NCCCC#N)c2ccsc2S1 ZINC000336692071 262380349 /nfs/dbraw/zinc/38/03/49/262380349.db2.gz KXDLGSRCWDPLHT-KOLCDFICSA-N 0 3 252.408 3.567 20 30 CHEDHN N#CCCCCNCc1cc(Cl)ccc1OC(F)F ZINC000237809175 262638143 /nfs/dbraw/zinc/63/81/43/262638143.db2.gz GEHCFTULQMSKEQ-UHFFFAOYSA-N 0 3 288.725 3.725 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CCCOc2ccc(F)cc21 ZINC000414167359 262820366 /nfs/dbraw/zinc/82/03/66/262820366.db2.gz PBVJWURTDCEZKK-AWEZNQCLSA-N 0 3 276.355 3.569 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CS[C@H](C)C1)c1ccco1 ZINC000414221386 262827548 /nfs/dbraw/zinc/82/75/48/262827548.db2.gz DFWZXMTZHBWWDY-AGIUHOORSA-N 0 3 251.395 3.771 20 30 CHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)CC(F)(F)F ZINC000414278035 262834567 /nfs/dbraw/zinc/83/45/67/262834567.db2.gz HMFAXVBBJILBBX-ZJUUUORDSA-N 0 3 288.288 3.936 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)NCc1ncc(C)s1 ZINC000414539196 262987591 /nfs/dbraw/zinc/98/75/91/262987591.db2.gz RTRAWXUGXGRIAI-OAHLLOKOSA-N 0 3 272.417 3.729 20 30 CHEDHN COc1cccc(C2CCN(CCC(C)(C)C#N)CC2)c1 ZINC000272009615 263001081 /nfs/dbraw/zinc/00/10/81/263001081.db2.gz KALHUWUKRLSEEI-UHFFFAOYSA-N 0 3 286.419 3.814 20 30 CHEDHN Cc1oc2ccccc2c1CN1CCC(C)(C#N)CC1 ZINC000272579517 263007084 /nfs/dbraw/zinc/00/70/84/263007084.db2.gz XTPLTANLSMRXMR-UHFFFAOYSA-N 0 3 268.360 3.867 20 30 CHEDHN N#CCCCNCc1cccc(OCc2ccccc2)c1 ZINC000273032607 263011341 /nfs/dbraw/zinc/01/13/41/263011341.db2.gz GOFQYIKOIIBPSN-UHFFFAOYSA-N 0 3 280.371 3.659 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2ccccc2o1 ZINC000274628953 263028040 /nfs/dbraw/zinc/02/80/40/263028040.db2.gz OKPWAGVGGRQWBK-SGMGOOAPSA-N 0 3 254.333 3.776 20 30 CHEDHN C=C(C)C[N@@H+](CC)Cc1ccc([O-])c2nc(C)ccc12 ZINC000340120666 263073414 /nfs/dbraw/zinc/07/34/14/263073414.db2.gz YGFKFXWTPZIBMY-UHFFFAOYSA-N 0 3 270.376 3.647 20 30 CHEDHN C=C(C)C[N@H+](CC)Cc1ccc([O-])c2nc(C)ccc12 ZINC000340120666 263073415 /nfs/dbraw/zinc/07/34/15/263073415.db2.gz YGFKFXWTPZIBMY-UHFFFAOYSA-N 0 3 270.376 3.647 20 30 CHEDHN CCOc1ccccc1[C@H](CC)N[C@H]1CC[C@@H](C#N)C1 ZINC000281997185 263073526 /nfs/dbraw/zinc/07/35/26/263073526.db2.gz PZNQNWMZHFADHR-YCPHGPKFSA-N 0 3 272.392 3.818 20 30 CHEDHN CC(C)Oc1cccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000282026855 263073695 /nfs/dbraw/zinc/07/36/95/263073695.db2.gz SSKIQADHYBJAGU-OFQRWUPVSA-N 0 3 272.392 3.817 20 30 CHEDHN C[C@@H](NCC1CCC(C#N)CC1)c1ccc(Cl)cn1 ZINC000282322614 263075919 /nfs/dbraw/zinc/07/59/19/263075919.db2.gz NSNRFKNARXOGLQ-PNESKVBLSA-N 0 3 277.799 3.716 20 30 CHEDHN CCCC[N@H+](CCCSCC#N)Cc1ccccc1[O-] ZINC000282538660 263077340 /nfs/dbraw/zinc/07/73/40/263077340.db2.gz VTSGBIDKVXILDH-UHFFFAOYSA-N 0 3 292.448 3.641 20 30 CHEDHN CCCC[N@@H+](CCCSCC#N)Cc1ccccc1[O-] ZINC000282538660 263077341 /nfs/dbraw/zinc/07/73/41/263077341.db2.gz VTSGBIDKVXILDH-UHFFFAOYSA-N 0 3 292.448 3.641 20 30 CHEDHN Cc1cc(C)c([C@H](C)[NH2+]CC2CCC(C#N)CC2)c([O-])c1 ZINC000285286661 263091767 /nfs/dbraw/zinc/09/17/67/263091767.db2.gz RKRLTOMKIRRQRT-FHERZECASA-N 0 3 286.419 3.990 20 30 CHEDHN CC(C)[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)cn1 ZINC000467440508 263125229 /nfs/dbraw/zinc/12/52/29/263125229.db2.gz UOXGZZMZQJRGQR-GOSISDBHSA-N 0 3 297.377 3.622 20 30 CHEDHN CCN(CCOCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000293355223 263139354 /nfs/dbraw/zinc/13/93/54/263139354.db2.gz DWBFIHZYAQOZOJ-CQSZACIVSA-N 0 3 286.375 3.746 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OC(F)F)c(F)c2)C1 ZINC000293840206 263150711 /nfs/dbraw/zinc/15/07/11/263150711.db2.gz XSCYEEXSAVRALX-PWSUYJOCSA-N 0 3 298.308 3.599 20 30 CHEDHN CCn1cc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cn1 ZINC000340456134 263158026 /nfs/dbraw/zinc/15/80/26/263158026.db2.gz UZKGDPRCBOORRY-CRAIPNDOSA-N 0 3 296.418 3.989 20 30 CHEDHN CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1[O-] ZINC000294918479 263169343 /nfs/dbraw/zinc/16/93/43/263169343.db2.gz ARGUOGMDTNBDQX-YDHLFZDLSA-N 0 3 258.365 3.515 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2cccc(Cl)c2F)C1 ZINC000294977984 263170273 /nfs/dbraw/zinc/17/02/73/263170273.db2.gz GIKBSTQUAKIXOP-JQWIXIFHSA-N 0 3 266.747 3.651 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)NCc1cc(F)cnc1Cl ZINC000295103192 263172439 /nfs/dbraw/zinc/17/24/39/263172439.db2.gz KQOYJATVGQVCNH-ZJUUUORDSA-N 0 3 256.752 3.564 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1F ZINC000296569803 263192816 /nfs/dbraw/zinc/19/28/16/263192816.db2.gz SVPSIOCBYOHYBA-GVXVVHGQSA-N 0 3 264.319 3.698 20 30 CHEDHN C[C@H](CCC#N)N(C)CCc1cccc(Br)c1 ZINC000298069893 263214720 /nfs/dbraw/zinc/21/47/20/263214720.db2.gz GWHMIJKUXUABGE-GFCCVEGCSA-N 0 3 295.224 3.616 20 30 CHEDHN CCOc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1OCC ZINC000299722597 263254104 /nfs/dbraw/zinc/25/41/04/263254104.db2.gz STASBAHQVJAYTA-ZIAGYGMSSA-N 0 3 290.407 3.827 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCc1nccn1CCc1ccccc1 ZINC000164267296 263270288 /nfs/dbraw/zinc/27/02/88/263270288.db2.gz HVXWPRLVNZBYNC-IRXDYDNUSA-N 0 3 297.446 3.816 20 30 CHEDHN C=CC[C@H](CO)CN[C@H](CC)c1ccccc1OC(F)F ZINC000341879445 263361736 /nfs/dbraw/zinc/36/17/36/263361736.db2.gz UVWIGYMFVNHNFV-GXTWGEPZSA-N 0 3 299.361 3.513 20 30 CHEDHN CSc1ccccc1CN1CCC(C)(C#N)CC1 ZINC000334413920 263616778 /nfs/dbraw/zinc/61/67/78/263616778.db2.gz MTVUVPBSJCVKJR-UHFFFAOYSA-N 0 3 260.406 3.534 20 30 CHEDHN CS[C@@H]1CC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000425353827 264125767 /nfs/dbraw/zinc/12/57/67/264125767.db2.gz NJGLOEQCOMEBSV-ZIAGYGMSSA-N 0 3 299.361 3.541 20 30 CHEDHN CC1CCC(C)(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000331209849 264162712 /nfs/dbraw/zinc/16/27/12/264162712.db2.gz XAOKXDCCTSFSBU-URSIVYNOSA-N 0 3 298.430 3.844 20 30 CHEDHN C[C@@H](NCC(C)(C)CCC#N)c1ccc(C#N)cc1F ZINC000348241712 265146923 /nfs/dbraw/zinc/14/69/23/265146923.db2.gz GOGUDRZAXYWXTQ-GFCCVEGCSA-N 0 3 273.355 3.678 20 30 CHEDHN CC[C@@H](NCc1cc(C#N)cs1)c1ccc(OC)cc1 ZINC000093492142 265181839 /nfs/dbraw/zinc/18/18/39/265181839.db2.gz OWRLKENRQNSFKF-MRXNPFEDSA-N 0 3 286.400 3.869 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](c1cccnc1)C1CC1)CC2 ZINC000353260629 266036399 /nfs/dbraw/zinc/03/63/99/266036399.db2.gz FUIVSIABHBQDGQ-MOPGFXCFSA-N 0 3 289.382 3.681 20 30 CHEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2)CC12CCC2 ZINC000357007591 266231354 /nfs/dbraw/zinc/23/13/54/266231354.db2.gz DRGFHSGWBOITTG-CQSZACIVSA-N 0 3 254.377 3.570 20 30 CHEDHN C[C@@H]1CCC[C@H](C)CN1Cc1cn2ccccc2c1C#N ZINC000357745324 266354169 /nfs/dbraw/zinc/35/41/69/266354169.db2.gz OOYPFPSUSANPFA-LSDHHAIUSA-N 0 3 281.403 3.821 20 30 CHEDHN C=CCSCCN[C@H](CC)c1ccc(F)cc1F ZINC000358020151 266398393 /nfs/dbraw/zinc/39/83/93/266398393.db2.gz LSMLUEQQOWREBA-CQSZACIVSA-N 0 3 271.376 3.925 20 30 CHEDHN C=C(C)COCCN[C@H]1CCCOc2c(C)cc(C)cc21 ZINC000358292432 266449985 /nfs/dbraw/zinc/44/99/85/266449985.db2.gz VUERMBIXRFBESY-KRWDZBQOSA-N 0 3 289.419 3.699 20 30 CHEDHN Cc1ccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1C ZINC000361547167 266844258 /nfs/dbraw/zinc/84/42/58/266844258.db2.gz FFVZFQPQTOXIKK-LJQANCHMSA-N 0 3 293.414 3.851 20 30 CHEDHN C[C@H](N[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367800390 267118603 /nfs/dbraw/zinc/11/86/03/267118603.db2.gz JBDWPZXPQPNRMP-LIRRHRJNSA-N 0 3 292.382 3.665 20 30 CHEDHN N#CC1(CNC2CCC(OC3CCCC3)CC2)CCC1 ZINC000418143575 267364964 /nfs/dbraw/zinc/36/49/64/267364964.db2.gz QKGBPLMUEWKDDW-UHFFFAOYSA-N 0 3 276.424 3.540 20 30 CHEDHN Cc1cccnc1[C@H]1CCC[C@H](NCC2(C#N)CCC2)C1 ZINC000418144853 267365965 /nfs/dbraw/zinc/36/59/65/267365965.db2.gz VFJUIBPZTBLKHX-HOTGVXAUSA-N 0 3 283.419 3.700 20 30 CHEDHN Cc1cccnc1[C@@H]1CCC[C@H](NCC2(C#N)CCC2)C1 ZINC000418144852 267366690 /nfs/dbraw/zinc/36/66/90/267366690.db2.gz VFJUIBPZTBLKHX-CVEARBPZSA-N 0 3 283.419 3.700 20 30 CHEDHN CSc1ccccc1C[C@@H](C)NCC1(C#N)CCC1 ZINC000418135667 267367660 /nfs/dbraw/zinc/36/76/60/267367660.db2.gz BIFATYWLEHZMMZ-CYBMUJFWSA-N 0 3 274.433 3.623 20 30 CHEDHN CCS[C@@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000120782584 267506403 /nfs/dbraw/zinc/50/64/03/267506403.db2.gz HMFKUQJJNNRIOO-OAHLLOKOSA-N 0 3 292.423 3.805 20 30 CHEDHN C=CC[C@H](CO)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000186714860 327701302 /nfs/dbraw/zinc/70/13/02/327701302.db2.gz DETVITAYDNMURG-MWLCHTKSSA-N 0 3 274.191 3.581 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000313503604 327924087 /nfs/dbraw/zinc/92/40/87/327924087.db2.gz UXWPIQJBIJHJSJ-NSHDSACASA-N 0 3 255.308 3.905 20 30 CHEDHN C=CCOc1cccc(CN2CCC(OC(C)C)CC2)c1 ZINC000534343110 328046893 /nfs/dbraw/zinc/04/68/93/328046893.db2.gz XRJOKRYSLZWUFX-UHFFFAOYSA-N 0 3 289.419 3.641 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@H]2CCCC[C@H]12 ZINC000541107065 328046941 /nfs/dbraw/zinc/04/69/41/328046941.db2.gz LMRMPFAYMTZYLW-VMGRFDJRSA-N 0 3 272.367 3.708 20 30 CHEDHN C[C@@H](c1cccs1)N(C)CCOc1cccc(C#N)c1 ZINC000048334929 328053172 /nfs/dbraw/zinc/05/31/72/328053172.db2.gz HRNKLLGOKVJTCP-ZDUSSCGKSA-N 0 3 286.400 3.692 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000563334316 328055794 /nfs/dbraw/zinc/05/57/94/328055794.db2.gz JIBICFAQYADXOU-CYBMUJFWSA-N 0 3 263.381 3.629 20 30 CHEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1ccc(C#N)cc1 ZINC000571207963 328093068 /nfs/dbraw/zinc/09/30/68/328093068.db2.gz CLQDYOHMIQZEBH-IBGZPJMESA-N 0 3 289.382 3.865 20 30 CHEDHN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NCCC#N ZINC000411767858 328099350 /nfs/dbraw/zinc/09/93/50/328099350.db2.gz CMZMUVDCORVIAU-OAHLLOKOSA-N 0 3 264.800 3.800 20 30 CHEDHN N#CCCN[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414450148 328177142 /nfs/dbraw/zinc/17/71/42/328177142.db2.gz WMJIDMJVMTVKRX-UKRRQHHQSA-N 0 3 262.784 3.869 20 30 CHEDHN N#CCCCCN1CCC(=Cc2ccccc2F)CC1 ZINC000268247138 328183534 /nfs/dbraw/zinc/18/35/34/328183534.db2.gz BBDXHVGITFESBN-UHFFFAOYSA-N 0 3 272.367 3.999 20 30 CHEDHN C[C@@H](COc1ccc(Cl)c(Cl)c1)NCCCC#N ZINC000294910840 328283768 /nfs/dbraw/zinc/28/37/68/328283768.db2.gz AZCJCJJQWKUFBP-JTQLQIEISA-N 0 3 287.190 3.654 20 30 CHEDHN CC/C=C/CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000295086164 328284966 /nfs/dbraw/zinc/28/49/66/328284966.db2.gz QYKIWRHFBORMJB-XVNBXDOJSA-N 0 3 294.402 3.520 20 30 CHEDHN C=CCN(CCc1csc(C)n1)Cc1cccc(C#N)c1 ZINC000119612113 328307394 /nfs/dbraw/zinc/30/73/94/328307394.db2.gz CXSFHNZCDFNKHQ-UHFFFAOYSA-N 0 3 297.427 3.554 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(Br)cc1 ZINC000049855306 328380211 /nfs/dbraw/zinc/38/02/11/328380211.db2.gz QYWFFLJIPXHRHA-SNVBAGLBSA-N 0 3 254.171 3.676 20 30 CHEDHN C=CCC[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000191448700 328509688 /nfs/dbraw/zinc/50/96/88/328509688.db2.gz JAAIVLGLBGFQCA-GOSISDBHSA-N 0 3 279.387 3.694 20 30 CHEDHN N#CCc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000342698550 327028005 /nfs/dbraw/zinc/02/80/05/327028005.db2.gz UQFCWAODNSSDOR-CQSZACIVSA-N 0 3 282.309 3.527 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cnc2ccsc2c1 ZINC000090883638 327101509 /nfs/dbraw/zinc/10/15/09/327101509.db2.gz NDILIELTMZDQFI-LBPRGKRZSA-N 0 3 276.405 3.540 20 30 CHEDHN CC(C)CCn1cccc1CNCc1ccc(CC#N)cc1 ZINC000584290707 327222975 /nfs/dbraw/zinc/22/29/75/327222975.db2.gz AGPGLXXUQNMKRX-UHFFFAOYSA-N 0 3 295.430 3.890 20 30 CHEDHN C[C@@H](c1cc(F)ccc1F)N(C)CCCCC#N ZINC000102397592 327226937 /nfs/dbraw/zinc/22/69/37/327226937.db2.gz SMEUQBAZOCJXFM-NSHDSACASA-N 0 3 252.308 3.651 20 30 CHEDHN N#CCCCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000103142570 327233189 /nfs/dbraw/zinc/23/31/89/327233189.db2.gz BLVZALLDFPKLCH-UHFFFAOYSA-N 0 3 297.377 3.569 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NCC2(C#N)CC2)C1 ZINC000555709781 327249296 /nfs/dbraw/zinc/24/92/96/327249296.db2.gz LMXJJXAVEHIMCD-UAGQMJEPSA-N 0 3 268.404 3.852 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccncc1C ZINC000560103495 327284101 /nfs/dbraw/zinc/28/41/01/327284101.db2.gz YWBBRXWYVOQVQM-UHFFFAOYSA-N 0 3 266.388 3.621 20 30 CHEDHN C=CCCCCCN(C)Cc1cnc(C(C)(C)C)nc1 ZINC000560261562 327294423 /nfs/dbraw/zinc/29/44/23/327294423.db2.gz QRDPUGBUKZVTBF-UHFFFAOYSA-N 0 3 275.440 3.952 20 30 CHEDHN C=CCC[C@@H](NCC(C)(C)[C@H](O)C(C)C)c1ccco1 ZINC000560544979 327322512 /nfs/dbraw/zinc/32/25/12/327322512.db2.gz RVXXBUGJUHWDBB-GDBMZVCRSA-N 0 3 279.424 3.920 20 30 CHEDHN CC[C@@H]1CCCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583384181 327336838 /nfs/dbraw/zinc/33/68/38/327336838.db2.gz JSUARCYLRFVWIQ-OAHLLOKOSA-N 0 3 287.363 3.621 20 30 CHEDHN CC[C@H]1CCCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583384180 327336895 /nfs/dbraw/zinc/33/68/95/327336895.db2.gz JSUARCYLRFVWIQ-HNNXBMFYSA-N 0 3 287.363 3.621 20 30 CHEDHN C=CC[C@H](CC)NCc1ccc(OC)cc1Cl ZINC000466400569 331395029 /nfs/dbraw/zinc/39/50/29/331395029.db2.gz VTMMKCBBKMQOKS-LBPRGKRZSA-N 0 3 253.773 3.793 20 30 CHEDHN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C#N)c1 ZINC000151029707 327412283 /nfs/dbraw/zinc/41/22/83/327412283.db2.gz IBORBFRSAAWQBN-XIKOKIGWSA-N 0 3 280.346 3.720 20 30 CHEDHN C=CCCCNCc1cccc(F)c1Br ZINC000308785886 332802865 /nfs/dbraw/zinc/80/28/65/332802865.db2.gz FXRCMRLWGGIRGD-UHFFFAOYSA-N 0 3 272.161 3.644 20 30 CHEDHN N#Cc1ccc(CNCCCc2cccc(F)c2)c(F)c1 ZINC000532568964 328790518 /nfs/dbraw/zinc/79/05/18/328790518.db2.gz QQDNHBGDHRQPON-UHFFFAOYSA-N 0 3 286.325 3.559 20 30 CHEDHN C[C@@H](C#N)CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000526986004 328818112 /nfs/dbraw/zinc/81/81/12/328818112.db2.gz RSFHGYIUYYMZDE-XWLWVQCSSA-N 0 3 268.813 3.643 20 30 CHEDHN CC(C)C[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000307778476 329009349 /nfs/dbraw/zinc/00/93/49/329009349.db2.gz RBJBKDFFUKBXIJ-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN CCO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000193523925 329058510 /nfs/dbraw/zinc/05/85/10/329058510.db2.gz QHKIMZWOCALMFH-KXBFYZLASA-N 0 3 294.398 3.987 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000542692492 329176264 /nfs/dbraw/zinc/17/62/64/329176264.db2.gz SZEBCTSFTMXVEY-OIISXLGYSA-N 0 3 256.393 3.852 20 30 CHEDHN FC(F)(F)c1ccc(C#CCNC2CCSCC2)cc1 ZINC000177714533 329189408 /nfs/dbraw/zinc/18/94/08/329189408.db2.gz LSNUWKWSQDYDSS-UHFFFAOYSA-N 0 3 299.361 3.542 20 30 CHEDHN C=CCN1CCC(N[C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000177909419 329189949 /nfs/dbraw/zinc/18/99/49/329189949.db2.gz BSFVPXFHGAVHLI-KRWDZBQOSA-N 0 3 294.389 3.656 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)CCc1ccccc1)c1ccco1 ZINC000583016250 329302975 /nfs/dbraw/zinc/30/29/75/329302975.db2.gz PQEOVDDORSFFQI-MSOLQXFVSA-N 0 3 299.414 3.870 20 30 CHEDHN C=C(C)CCN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000508991413 332854116 /nfs/dbraw/zinc/85/41/16/332854116.db2.gz OJHGIRLFVBKNJZ-CQSZACIVSA-N 0 3 287.325 3.949 20 30 CHEDHN N#CCCC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000399323554 329450956 /nfs/dbraw/zinc/45/09/56/329450956.db2.gz JDHHLWOUJHMFNQ-UHFFFAOYSA-N 0 3 279.387 3.751 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000583722674 329455394 /nfs/dbraw/zinc/45/53/94/329455394.db2.gz IHJSGELDEMQOSH-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN C=CCCOCCNCc1csc2ccccc12 ZINC000120798414 329551312 /nfs/dbraw/zinc/55/13/12/329551312.db2.gz UPJQLMUSALHHGD-UHFFFAOYSA-N 0 3 261.390 3.584 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCOc3c(F)cccc32)C1 ZINC000248876690 329901446 /nfs/dbraw/zinc/90/14/46/329901446.db2.gz RCRSTSIKEGTWNP-XJKCOSOUSA-N 0 3 288.366 3.711 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc2cccc(F)c2o1 ZINC000571942969 329932600 /nfs/dbraw/zinc/93/26/00/329932600.db2.gz LKDBFNZNMMCZIV-DMDPSCGWSA-N 0 3 272.323 3.915 20 30 CHEDHN C[C@@H](CNCc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000162507377 330063463 /nfs/dbraw/zinc/06/34/63/330063463.db2.gz LFUDWKKMRYTBTD-LBPRGKRZSA-N 0 3 286.325 3.730 20 30 CHEDHN C=C(CNCc1cnc(CC)s1)c1ccccc1 ZINC000267596311 330065054 /nfs/dbraw/zinc/06/50/54/330065054.db2.gz CKHHNRIRMFUXTN-UHFFFAOYSA-N 0 3 258.390 3.509 20 30 CHEDHN C=CCC[C@H](CC)NCc1csc([C@H](C)OC)n1 ZINC000268894751 330066665 /nfs/dbraw/zinc/06/66/65/330066665.db2.gz AMPHMGFLMLDLEE-RYUDHWBXSA-N 0 3 268.426 3.685 20 30 CHEDHN C#CCCN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000270462762 330075388 /nfs/dbraw/zinc/07/53/88/330075388.db2.gz AMDZSXPAJUAFRN-LBPRGKRZSA-N 0 3 250.411 3.591 20 30 CHEDHN C=CCN1CCC(N[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000273370537 330090418 /nfs/dbraw/zinc/09/04/18/330090418.db2.gz VRPGSRVJBVPHSG-HNNXBMFYSA-N 0 3 298.352 3.530 20 30 CHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc2c(c1)COC2 ZINC000421879564 330102146 /nfs/dbraw/zinc/10/21/46/330102146.db2.gz NISMWGQEFHGQIB-NSHDSACASA-N 0 3 284.384 3.501 20 30 CHEDHN C=C(C)CCNC1(c2nc(C)cs2)CCCC1 ZINC000274796156 330107650 /nfs/dbraw/zinc/10/76/50/330107650.db2.gz PMCJHBZTGQYFIA-UHFFFAOYSA-N 0 3 250.411 3.777 20 30 CHEDHN C=CCC[C@@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274814414 330107991 /nfs/dbraw/zinc/10/79/91/330107991.db2.gz YSQHVDYDXVEHEN-DYVFJYSZSA-N 0 3 287.382 3.593 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)c1ccsc1)c1ccco1 ZINC000276464080 330113329 /nfs/dbraw/zinc/11/33/29/330113329.db2.gz OLAPALKDRIBHMY-KBPBESRZSA-N 0 3 277.389 3.672 20 30 CHEDHN C=C(C)[C@@H](NC[C@@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000278881355 330120418 /nfs/dbraw/zinc/12/04/18/330120418.db2.gz ZOCXFZFVDQZFPO-XHDPSFHLSA-N 0 3 283.387 3.925 20 30 CHEDHN C=CCC[C@@H](NCCc1cccnc1)c1ccco1 ZINC000279141871 330121756 /nfs/dbraw/zinc/12/17/56/330121756.db2.gz ZGWOPRYEARFLQD-OAHLLOKOSA-N 0 3 256.349 3.514 20 30 CHEDHN CC[C@H](C)[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000580460958 330142109 /nfs/dbraw/zinc/14/21/09/330142109.db2.gz WPTDRFYGDHEOQN-YOEHRIQHSA-N 0 3 296.418 3.607 20 30 CHEDHN C=C(C)COCCN[C@@H]1CCc2ccc(Cl)cc21 ZINC000536854115 330251504 /nfs/dbraw/zinc/25/15/04/330251504.db2.gz UVKGFYPMAJSQBR-OAHLLOKOSA-N 0 3 265.784 3.510 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(Cl)c1 ZINC000424121548 330252010 /nfs/dbraw/zinc/25/20/10/330252010.db2.gz IJFIQKOWNBRVOL-JFGNBEQYSA-N 0 3 266.747 3.822 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccnc(C)c1 ZINC000527535639 330263448 /nfs/dbraw/zinc/26/34/48/330263448.db2.gz XZAFFJWMWBWVAB-UHFFFAOYSA-N 0 3 266.388 3.621 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527870759 330286114 /nfs/dbraw/zinc/28/61/14/330286114.db2.gz RXTJWOHLYAHULH-KGLIPLIRSA-N 0 3 269.392 3.702 20 30 CHEDHN C=CC(C)(C)CN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527903623 330289686 /nfs/dbraw/zinc/28/96/86/330289686.db2.gz JECGZENIPQSDEA-AWEZNQCLSA-N 0 3 283.419 3.950 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000424320049 330340071 /nfs/dbraw/zinc/34/00/71/330340071.db2.gz FMHMXJIUINVDAF-YWPYICTPSA-N 0 3 290.794 3.836 20 30 CHEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424322205 330340351 /nfs/dbraw/zinc/34/03/51/330340351.db2.gz ICJJGXHESZOIAG-AHIWAGSCSA-N 0 3 284.403 3.699 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(s1)CCCC2 ZINC000424328767 330341886 /nfs/dbraw/zinc/34/18/86/330341886.db2.gz OMWIVMDTTCMTIZ-SGMGOOAPSA-N 0 3 274.433 3.970 20 30 CHEDHN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000424329199 330341939 /nfs/dbraw/zinc/34/19/39/330341939.db2.gz PKBLPDDBSWLCGR-GHJWDPDVSA-N 0 3 278.346 3.944 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC000533309345 330356930 /nfs/dbraw/zinc/35/69/30/330356930.db2.gz LENSEEYCOHWFCZ-OFQRWUPVSA-N 0 3 272.367 3.756 20 30 CHEDHN Cc1ccc(CN(C)Cc2cccc(C#N)c2)cc1C ZINC000058006035 330382063 /nfs/dbraw/zinc/38/20/63/330382063.db2.gz KWILCBGVCWBNBR-UHFFFAOYSA-N 0 3 264.372 3.807 20 30 CHEDHN C=C(C)COCCN[C@@H](CC)c1cc(C)ccc1OC ZINC000090451005 330392507 /nfs/dbraw/zinc/39/25/07/330392507.db2.gz RTUTUBMPIOLBDB-INIZCTEOSA-N 0 3 277.408 3.637 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cccc(-c2ccncc2)c1 ZINC000090883807 330396597 /nfs/dbraw/zinc/39/65/97/330396597.db2.gz QAXBAOYHRQDACN-MRXNPFEDSA-N 0 3 296.414 3.992 20 30 CHEDHN C=CCC[C@H](NCc1cccnc1OCC(F)F)C1CC1 ZINC000090942087 330397231 /nfs/dbraw/zinc/39/72/31/330397231.db2.gz DNMMGUHZSMSIQA-AWEZNQCLSA-N 0 3 296.361 3.560 20 30 CHEDHN C=CCN(C)Cc1cc(Br)cc2cccnc21 ZINC000121280429 330399144 /nfs/dbraw/zinc/39/91/44/330399144.db2.gz YXIVPTKLLONOCZ-UHFFFAOYSA-N 0 3 291.192 3.615 20 30 CHEDHN C=CCN(C)Cc1ccc(Br)c2cccnc12 ZINC000121375663 330399592 /nfs/dbraw/zinc/39/95/92/330399592.db2.gz JSJFCGWTOGQHDV-UHFFFAOYSA-N 0 3 291.192 3.615 20 30 CHEDHN N#CCC1(CNCc2cccc(-c3ccncc3)c2)CC1 ZINC000430069939 330558413 /nfs/dbraw/zinc/55/84/13/330558413.db2.gz BYDJONBRBFUCCJ-UHFFFAOYSA-N 0 3 277.371 3.532 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1cc2c(s1)CCC2 ZINC000430738199 330571938 /nfs/dbraw/zinc/57/19/38/330571938.db2.gz AEQQXXJOHMYFKN-NSHDSACASA-N 0 3 260.406 3.581 20 30 CHEDHN C[C@@H]1CC[C@@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000430740772 330572262 /nfs/dbraw/zinc/57/22/62/330572262.db2.gz CHTIOBWJTQWGST-CZUORRHYSA-N 0 3 254.377 3.908 20 30 CHEDHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000154349185 330656947 /nfs/dbraw/zinc/65/69/47/330656947.db2.gz DFRHCRWLVSOITL-VHSXEESVSA-N 0 3 256.271 3.550 20 30 CHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(Cl)ccc1F ZINC000435737099 330661411 /nfs/dbraw/zinc/66/14/11/330661411.db2.gz DMTKGMYEKZSGRS-IAQYHMDHSA-N 0 3 283.774 3.550 20 30 CHEDHN CC(C)N(C)c1ccccc1CNCc1ccc(C#N)cc1 ZINC000438330897 330721740 /nfs/dbraw/zinc/72/17/40/330721740.db2.gz NBVZXZMTNFKFSA-UHFFFAOYSA-N 0 3 293.414 3.693 20 30 CHEDHN C[C@H](Nc1cccc(F)c1C#N)[C@@H](c1ccccc1)N(C)C ZINC000439126446 330734277 /nfs/dbraw/zinc/73/42/77/330734277.db2.gz ATHVFMFRYNGISV-UGSOOPFHSA-N 0 3 297.377 3.801 20 30 CHEDHN CC(C)CCOc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442784467 330783064 /nfs/dbraw/zinc/78/30/64/330783064.db2.gz PPZZQCOSLQUVPA-WBVHZDCISA-N 0 3 286.419 3.893 20 30 CHEDHN CCOc1cc(Cl)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442819081 330785414 /nfs/dbraw/zinc/78/54/14/330785414.db2.gz POTVZRDAAJGPDR-RISCZKNCSA-N 0 3 278.783 3.521 20 30 CHEDHN CCCNc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443981863 330808274 /nfs/dbraw/zinc/80/82/74/330808274.db2.gz CONNPMUPKZNUBT-UHFFFAOYSA-N 0 3 293.414 3.978 20 30 CHEDHN Cc1cc(CNCCSc2ccccc2)ccc1C#N ZINC000443980617 330808341 /nfs/dbraw/zinc/80/83/41/330808341.db2.gz DAHKOCJPUHMORQ-UHFFFAOYSA-N 0 3 282.412 3.749 20 30 CHEDHN CC[C@H](NCCOCCC(C)C)c1ccc(C#N)cc1 ZINC000447564351 330870246 /nfs/dbraw/zinc/87/02/46/330870246.db2.gz WSXWUVUVUCZQRA-KRWDZBQOSA-N 0 3 274.408 3.662 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000449072472 330897186 /nfs/dbraw/zinc/89/71/86/330897186.db2.gz KQIQAMSTJOSGIW-GJZGRUSLSA-N 0 3 290.455 3.790 20 30 CHEDHN C=CCCCC[C@H](C)NCc1cn2ccsc2n1 ZINC000449103757 330899259 /nfs/dbraw/zinc/89/92/59/330899259.db2.gz RWULWNCBXDTUST-LBPRGKRZSA-N 0 3 263.410 3.620 20 30 CHEDHN CC1(C#N)CCC(N[C@H]2COc3ccc(Cl)cc32)CC1 ZINC000449188716 330904853 /nfs/dbraw/zinc/90/48/53/330904853.db2.gz ODLKFXOJEMDFRW-UGWHAMFMSA-N 0 3 290.794 3.836 20 30 CHEDHN C[C@H](Cc1ccoc1)N[C@H](CCC#N)c1ccccc1 ZINC000449210002 330906474 /nfs/dbraw/zinc/90/64/74/330906474.db2.gz SVIPWCBYXARIEX-RHSMWYFYSA-N 0 3 268.360 3.845 20 30 CHEDHN COc1cc2ccccc2cc1CNCC1(CC#N)CC1 ZINC000449302573 330913218 /nfs/dbraw/zinc/91/32/18/330913218.db2.gz VYOZDMDSXAPIIW-UHFFFAOYSA-N 0 3 280.371 3.632 20 30 CHEDHN C=C(C)CCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449470972 330928305 /nfs/dbraw/zinc/92/83/05/330928305.db2.gz BVNGYJXDLVHQCH-NSHDSACASA-N 0 3 255.283 3.647 20 30 CHEDHN C=C(C)CCNCc1ncc(-c2ccccc2)s1 ZINC000449479159 330929031 /nfs/dbraw/zinc/92/90/31/330929031.db2.gz UQGZEXXLBAKAOM-UHFFFAOYSA-N 0 3 258.390 3.866 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2ccccc2c(OC)c1 ZINC000449549354 330936051 /nfs/dbraw/zinc/93/60/51/330936051.db2.gz XCOWRCRSUZSGTF-MSOLQXFVSA-N 0 3 297.398 3.672 20 30 CHEDHN Cc1cc(CN2CCC[C@H](c3ccncc3)C2)ccc1C#N ZINC000451008235 331011507 /nfs/dbraw/zinc/01/15/07/331011507.db2.gz WPSXEIWRXPUJAB-IBGZPJMESA-N 0 3 291.398 3.641 20 30 CHEDHN N#CCCCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451354940 331025498 /nfs/dbraw/zinc/02/54/98/331025498.db2.gz OTQQMHFVVZQMAI-AWEZNQCLSA-N 0 3 266.747 3.824 20 30 CHEDHN N#CCCCN1CCC(Cc2c(F)cccc2F)CC1 ZINC000451963034 331048485 /nfs/dbraw/zinc/04/84/85/331048485.db2.gz YGHGLYJQICBCAU-UHFFFAOYSA-N 0 3 278.346 3.523 20 30 CHEDHN C=CCC1(CN[C@H](C)c2cc(C)n(C)n2)CCCC1 ZINC000453336552 331118502 /nfs/dbraw/zinc/11/85/02/331118502.db2.gz AIRIWBZXGYMBSF-CQSZACIVSA-N 0 3 261.413 3.516 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000453342286 331119462 /nfs/dbraw/zinc/11/94/62/331119462.db2.gz DCQLJCSDGXZCFD-LBPRGKRZSA-N 0 3 250.361 3.509 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CC(C)(C)Cc2occc21 ZINC000453371344 331124161 /nfs/dbraw/zinc/12/41/61/331124161.db2.gz VTKRTEWTZDZXPA-ILXRZTDVSA-N 0 3 275.392 3.616 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(Cl)c1Cl ZINC000453373997 331124388 /nfs/dbraw/zinc/12/43/88/331124388.db2.gz WNHWJQMBMKMVQW-BIMULSAOSA-N 0 3 286.202 3.988 20 30 CHEDHN CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000453374220 331124541 /nfs/dbraw/zinc/12/45/41/331124541.db2.gz XDXRZCXEVBWACD-ZLDLUXBVSA-N 0 3 260.356 3.640 20 30 CHEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000453375303 331124640 /nfs/dbraw/zinc/12/46/40/331124640.db2.gz WLDYAMQEAMBFJQ-HIFRSBDPSA-N 0 3 273.376 3.719 20 30 CHEDHN C=CCOc1ccc(CNC[C@@H]2CC[C@H](C)O2)cc1Cl ZINC000453632155 331137303 /nfs/dbraw/zinc/13/73/03/331137303.db2.gz OSSALBXSLPFHEG-JSGCOSHPSA-N 0 3 295.810 3.562 20 30 CHEDHN C=CCOc1ccc(CNC[C@@H]2CC[C@@H](C)O2)cc1Cl ZINC000453632156 331137376 /nfs/dbraw/zinc/13/73/76/331137376.db2.gz OSSALBXSLPFHEG-OCCSQVGLSA-N 0 3 295.810 3.562 20 30 CHEDHN N#CCC[C@@H](NC1CC2(CCC2)C1)c1ccccc1 ZINC000459440782 331281413 /nfs/dbraw/zinc/28/14/13/331281413.db2.gz ADNDHWOWJIMFIT-MRXNPFEDSA-N 0 3 254.377 3.954 20 30 CHEDHN C[C@H](CCCc1cccnc1)NCc1cccc(F)c1C#N ZINC000459644146 331291929 /nfs/dbraw/zinc/29/19/29/331291929.db2.gz VWSOLVQTHRMLNY-CQSZACIVSA-N 0 3 297.377 3.593 20 30 CHEDHN C[C@@H](CCCc1cccnc1)NCc1ccc(F)cc1C#N ZINC000459651926 331292324 /nfs/dbraw/zinc/29/23/24/331292324.db2.gz ZWHGSCJBHNKJEW-AWEZNQCLSA-N 0 3 297.377 3.593 20 30 CHEDHN CC(C)CCn1cccc1CNCC(C)(C)CC#N ZINC000459726384 331296026 /nfs/dbraw/zinc/29/60/26/331296026.db2.gz FKLHVPGGFJZLMW-UHFFFAOYSA-N 0 3 261.413 3.564 20 30 CHEDHN CC(C)(CC#N)CNCc1cccc(-c2cccnc2)c1 ZINC000459732034 331296627 /nfs/dbraw/zinc/29/66/27/331296627.db2.gz OFFUGTQQYAYNJE-UHFFFAOYSA-N 0 3 279.387 3.778 20 30 CHEDHN CC(C)(CC#N)CNCc1cc(F)cc(Cl)c1 ZINC000459735459 331296829 /nfs/dbraw/zinc/29/68/29/331296829.db2.gz SWLIDXOFQGZEKO-UHFFFAOYSA-N 0 3 254.736 3.509 20 30 CHEDHN Cc1cc(CNCC(C)(C)CC#N)c(OC(F)F)cc1C ZINC000459739695 331297250 /nfs/dbraw/zinc/29/72/50/331297250.db2.gz YXWKDQODDWAWIW-UHFFFAOYSA-N 0 3 296.361 3.934 20 30 CHEDHN CC(C)(CC#N)CNCc1cnc(-c2ccccc2)s1 ZINC000459739757 331297374 /nfs/dbraw/zinc/29/73/74/331297374.db2.gz ZCDBUCMWFNZQFY-UHFFFAOYSA-N 0 3 285.416 3.840 20 30 CHEDHN C=CCC[C@@H](CC)N[C@H](COC)c1ccc(CC)o1 ZINC000462114146 331317359 /nfs/dbraw/zinc/31/73/59/331317359.db2.gz ZNDACFLNJDCPDC-UKRRQHHQSA-N 0 3 265.397 3.864 20 30 CHEDHN C=CCC[C@H](NC[C@](C)(OC)C1CC1)c1ccco1 ZINC000462815411 331330635 /nfs/dbraw/zinc/33/06/35/331330635.db2.gz CZALBZXBIPQABK-HOCLYGCPSA-N 0 3 263.381 3.692 20 30 CHEDHN CC(C)c1ccc(CC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000462817533 331330962 /nfs/dbraw/zinc/33/09/62/331330962.db2.gz HQRPOWHIMLNSQM-OAHLLOKOSA-N 0 3 298.430 3.751 20 30 CHEDHN CC(C)CN(C(=O)C(C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000463596315 331349995 /nfs/dbraw/zinc/34/99/95/331349995.db2.gz ZVUUGRJCPOWNDJ-NSHDSACASA-N 0 3 298.308 3.746 20 30 CHEDHN C=CCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464817612 331369531 /nfs/dbraw/zinc/36/95/31/331369531.db2.gz HGITVTYIEHAZFZ-SJORKVTESA-N 0 3 254.377 3.724 20 30 CHEDHN C=CCC[C@H](CC)N[C@H](CO)c1cccc(Cl)c1F ZINC000467406511 331417855 /nfs/dbraw/zinc/41/78/55/331417855.db2.gz PXUBQDAEMCGDPZ-SMDDNHRTSA-N 0 3 285.790 3.847 20 30 CHEDHN CC(C)[C@H]1CCC[C@H](NCc2ccc(C#N)o2)CC1 ZINC000469567548 331454064 /nfs/dbraw/zinc/45/40/64/331454064.db2.gz UMLDZPJVNCPTPD-KBPBESRZSA-N 0 3 260.381 3.846 20 30 CHEDHN C=CCOCCCN[C@@H](C)c1ccccc1Cl ZINC000470764871 331489756 /nfs/dbraw/zinc/48/97/56/331489756.db2.gz ITNMUUPWDWCPTR-LBPRGKRZSA-N 0 3 253.773 3.583 20 30 CHEDHN C=C(C)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000472231823 331532526 /nfs/dbraw/zinc/53/25/26/331532526.db2.gz KVJHRXOYLPYBQI-UHFFFAOYSA-N 0 3 255.283 3.860 20 30 CHEDHN C=CCNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475711857 331643000 /nfs/dbraw/zinc/64/30/00/331643000.db2.gz XIXIBEHFURSRBE-UHFFFAOYSA-N 0 3 259.271 3.596 20 30 CHEDHN C=CCC[C@H](CC)NCC(=O)Nc1ccc(Cl)cc1 ZINC000481402792 331806161 /nfs/dbraw/zinc/80/61/61/331806161.db2.gz LCVPJECKHINKFK-ZDUSSCGKSA-N 0 3 280.799 3.613 20 30 CHEDHN N#CC1(CN[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000484629254 331903368 /nfs/dbraw/zinc/90/33/68/331903368.db2.gz AEVFRFPPUNSDAF-HZPDHXFCSA-N 0 3 254.377 3.606 20 30 CHEDHN C=CCCCCCN[C@@H](CCC)c1nnc2ccccn21 ZINC000488305887 331998633 /nfs/dbraw/zinc/99/86/33/331998633.db2.gz YXGONWPKSSDUTK-HNNXBMFYSA-N 0 3 286.423 3.907 20 30 CHEDHN C=C[C@@H]1CCCCN1CCc1ccc(F)c(F)c1 ZINC000489492198 332056340 /nfs/dbraw/zinc/05/63/40/332056340.db2.gz GBHMELWUNJXENL-CYBMUJFWSA-N 0 3 251.320 3.548 20 30 CHEDHN C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(F)cc1C#N ZINC000489580019 332060127 /nfs/dbraw/zinc/06/01/27/332060127.db2.gz UESQISHCFAKIOV-MLGOLLRUSA-N 0 3 260.356 3.708 20 30 CHEDHN C#C[C@H](NC1CCC2(CCCO2)CC1)c1ccc(F)cc1 ZINC000491439462 332211530 /nfs/dbraw/zinc/21/15/30/332211530.db2.gz JTNQINGNVPLALE-ADKAHSJRSA-N 0 3 287.378 3.581 20 30 CHEDHN C[C@H](NCc1ccc(F)cc1C#N)[C@@H](C)c1ccccc1 ZINC000495410660 332517732 /nfs/dbraw/zinc/51/77/32/332517732.db2.gz YLLJNHLOEYWTRH-KGLIPLIRSA-N 0 3 282.362 3.979 20 30 CHEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(F)c1)CC2 ZINC000404743873 332602688 /nfs/dbraw/zinc/60/26/88/332602688.db2.gz DDVYTFJJLVQUOS-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN C=CCN(CC=C)CCOc1ccc(C(F)(F)F)cc1 ZINC000503969263 332701551 /nfs/dbraw/zinc/70/15/51/332701551.db2.gz KXYBKJLUMJVGIG-UHFFFAOYSA-N 0 3 285.309 3.758 20 30 CHEDHN C=C(C)CNCc1cn(-c2ccccc2)nc1C(C)C ZINC000512384715 332965930 /nfs/dbraw/zinc/96/59/30/332965930.db2.gz VFAXJWAIOAYWDO-UHFFFAOYSA-N 0 3 269.392 3.661 20 30 CHEDHN COc1ccc(CCN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512660701 332978591 /nfs/dbraw/zinc/97/85/91/332978591.db2.gz OOGWDUQVFLCCLC-ZDUSSCGKSA-N 0 3 298.361 3.599 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3ccccc32)cc1F ZINC000404109866 332987338 /nfs/dbraw/zinc/98/73/38/332987338.db2.gz JNQBZTXIWAFUNT-SFHVURJKSA-N 0 3 280.346 3.865 20 30 CHEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000513084152 333003394 /nfs/dbraw/zinc/00/33/94/333003394.db2.gz SYJLDCHPQGRHMW-RBUKOAKNSA-N 0 3 276.383 3.984 20 30 CHEDHN C[C@H]1CN(Cc2ccccc2)CCN1CCCC(C)(C)C#N ZINC000174869010 333009652 /nfs/dbraw/zinc/00/96/52/333009652.db2.gz PHVYYOLDFQLNDE-KRWDZBQOSA-N 0 3 299.462 3.523 20 30 CHEDHN C=CCC[C@H](NCCSCC=C)c1ccco1 ZINC000513690557 333032767 /nfs/dbraw/zinc/03/27/67/333032767.db2.gz KRCDCRDUIUSHDW-ZDUSSCGKSA-N 0 3 251.395 3.796 20 30 CHEDHN CCN(CCOc1ccccc1C#N)Cc1ccc(C)cc1 ZINC000521221476 333115663 /nfs/dbraw/zinc/11/56/63/333115663.db2.gz GQHQXRZEEPWIFX-UHFFFAOYSA-N 0 3 294.398 3.768 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000217655736 333122631 /nfs/dbraw/zinc/12/26/31/333122631.db2.gz UYSNYJJDDTUHGI-RHSMWYFYSA-N 0 3 254.377 3.713 20 30 CHEDHN CC(C)COc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185792979 333148882 /nfs/dbraw/zinc/14/88/82/333148882.db2.gz NTOUECNWMJBEAJ-RDJZCZTQSA-N 0 3 286.419 3.893 20 30 CHEDHN C=C(C)[C@H](N[C@@H](CC)COC)c1ccc(F)c(F)c1 ZINC000186449528 333161126 /nfs/dbraw/zinc/16/11/26/333161126.db2.gz TVRQCBLJVMJMEJ-WFASDCNBSA-N 0 3 269.335 3.597 20 30 CHEDHN C=C(C)[C@H](N[C@@H](C)C1CC1)c1ccc(F)c(F)c1 ZINC000186446568 333161234 /nfs/dbraw/zinc/16/12/34/333161234.db2.gz JOKXIZZNWCODNY-BONVTDFDSA-N 0 3 251.320 3.970 20 30 CHEDHN Cn1c2ccccc2nc1C(C)(C)NCCCC(C)(C)C#N ZINC000186565542 333163080 /nfs/dbraw/zinc/16/30/80/333163080.db2.gz MUDDNEPLRUJLFE-UHFFFAOYSA-N 0 3 298.434 3.728 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(F)c1 ZINC000189346669 333190995 /nfs/dbraw/zinc/19/09/95/333190995.db2.gz SKAGGKFLBYQYNK-CYBMUJFWSA-N 0 3 268.335 3.890 20 30 CHEDHN Cc1cc(C)cc([C@H]2CCN(Cc3cc(C#N)n(C)c3)C2)c1 ZINC000191475768 333220394 /nfs/dbraw/zinc/22/03/94/333220394.db2.gz SGXWVSILZGZDGP-KRWDZBQOSA-N 0 3 293.414 3.503 20 30 CHEDHN C[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000191892703 333227034 /nfs/dbraw/zinc/22/70/34/333227034.db2.gz YKKKVALMFPPBIK-ZDUSSCGKSA-N 0 3 268.335 3.890 20 30 CHEDHN C(#Cc1ccccc1)CN[C@@H](c1ccccc1)C1CC1 ZINC000192163725 333231386 /nfs/dbraw/zinc/23/13/86/333231386.db2.gz CZYSOXUZMAHFDJ-IBGZPJMESA-N 0 3 261.368 3.779 20 30 CHEDHN C=CCCCCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000193443842 333250259 /nfs/dbraw/zinc/25/02/59/333250259.db2.gz CXOVANJZDYRFLE-UHFFFAOYSA-N 0 3 289.345 3.617 20 30 CHEDHN CC#CCCNCc1cc(Br)ccc1Cl ZINC000226745823 333268508 /nfs/dbraw/zinc/26/85/08/333268508.db2.gz FBTCWCAPIGJBGB-UHFFFAOYSA-N 0 3 286.600 3.606 20 30 CHEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)c(C)s1 ZINC000194378588 333270384 /nfs/dbraw/zinc/27/03/84/333270384.db2.gz RUDCZDPKPCMQCY-UHFFFAOYSA-N 0 3 270.401 3.869 20 30 CHEDHN C[C@@H](NCC(C)(C)CCC#N)c1ccc(F)cc1F ZINC000229676341 333307656 /nfs/dbraw/zinc/30/76/56/333307656.db2.gz KMQVRERJIIRDPT-LLVKDONJSA-N 0 3 266.335 3.945 20 30 CHEDHN CC(C)CCN(Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000229748256 333309130 /nfs/dbraw/zinc/30/91/30/333309130.db2.gz GROZPVKLNYQIPX-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN N#Cc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)ccc1F ZINC000229747918 333309240 /nfs/dbraw/zinc/30/92/40/333309240.db2.gz XLFLWWGPJWKZSO-YOEHRIQHSA-N 0 3 272.367 3.852 20 30 CHEDHN CC(C)Cc1ccc([C@H](NC(=O)C(C)C#N)C2CC2)cc1 ZINC000524071040 333352870 /nfs/dbraw/zinc/35/28/70/333352870.db2.gz XPEMEDYOYZRNJB-GUYCJALGSA-N 0 3 284.403 3.612 20 30 CHEDHN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000315615009 333382810 /nfs/dbraw/zinc/38/28/10/333382810.db2.gz VNJZTMOZPPERLV-STQMWFEESA-N 0 3 295.342 3.878 20 30 CHEDHN C[C@H](C#N)CN(C)CC1CCC(C(C)(C)C)CC1 ZINC000525119585 333399165 /nfs/dbraw/zinc/39/91/65/333399165.db2.gz QRBNRXADKKLKRF-WLYUNCDWSA-N 0 3 250.430 3.930 20 30 CHEDHN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000036991896 333452409 /nfs/dbraw/zinc/45/24/09/333452409.db2.gz CAJSHMBAJINFLV-ZIAGYGMSSA-N 0 3 275.355 3.842 20 30 CHEDHN C=CCCOCCN[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000537952037 333549992 /nfs/dbraw/zinc/54/99/92/333549992.db2.gz NUXMTFCTFAVWRB-DYVFJYSZSA-N 0 3 277.383 3.631 20 30 CHEDHN C=CCOc1ccccc1CNc1cccc(CN(C)C)c1 ZINC000124551662 333559759 /nfs/dbraw/zinc/55/97/59/333559759.db2.gz NTWXZLDBEQVNSV-UHFFFAOYSA-N 0 3 296.414 3.925 20 30 CHEDHN N#Cc1csc(CN2CCC(c3ccccc3)CC2)c1 ZINC000125414786 333566420 /nfs/dbraw/zinc/56/64/20/333566420.db2.gz JOKMCSJIDVQZGY-UHFFFAOYSA-N 0 3 282.412 3.999 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000125612635 333568157 /nfs/dbraw/zinc/56/81/57/333568157.db2.gz YUEYTGINHDUQNW-GFCCVEGCSA-N 0 3 287.325 3.949 20 30 CHEDHN N#Cc1cccc(COc2cccc(CN3CCCC3)c2)c1 ZINC000125776086 333572792 /nfs/dbraw/zinc/57/27/92/333572792.db2.gz JNSBLSVSDCLWKR-UHFFFAOYSA-N 0 3 292.382 3.733 20 30 CHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000538194767 333578439 /nfs/dbraw/zinc/57/84/39/333578439.db2.gz LKUTZFSQHJDDRB-WDEREUQCSA-N 0 3 288.218 3.829 20 30 CHEDHN C[C@@H](N[C@@H](C)COc1cccc(F)c1)c1cccc(C#N)c1 ZINC000538397103 333588740 /nfs/dbraw/zinc/58/87/40/333588740.db2.gz PZLYMDLEQZXLKB-UONOGXRCSA-N 0 3 298.361 3.815 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(Br)cc1F ZINC000126828365 333611517 /nfs/dbraw/zinc/61/15/17/333611517.db2.gz CNVLUIZUQAUTMB-RKDXNWHRSA-N 0 3 272.161 3.813 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000539051809 333651779 /nfs/dbraw/zinc/65/17/79/333651779.db2.gz CDUNLLPXPKDEPD-CQSZACIVSA-N 0 3 265.372 3.686 20 30 CHEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1F ZINC000174429302 335154323 /nfs/dbraw/zinc/15/43/23/335154323.db2.gz KPCSWRJHPSDFEZ-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN COc1ccc(C2(N[C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000540723537 333743913 /nfs/dbraw/zinc/74/39/13/333743913.db2.gz SEEVIPLKYFSWSZ-CQSZACIVSA-N 0 3 292.382 3.907 20 30 CHEDHN COc1cc(C#N)ccc1CN[C@H](c1cccs1)C1CC1 ZINC000541580913 333782022 /nfs/dbraw/zinc/78/20/22/333782022.db2.gz FWCYXTQNAMCWAX-KRWDZBQOSA-N 0 3 298.411 3.869 20 30 CHEDHN CC(C)(NCCOc1ccccc1C#N)c1cccs1 ZINC000541645282 333785737 /nfs/dbraw/zinc/78/57/37/333785737.db2.gz YHLOXLUNUUNIEL-UHFFFAOYSA-N 0 3 286.400 3.523 20 30 CHEDHN C[C@H](NCc1ccccc1C#N)[C@H]1Oc2ccccc2[C@@H]1C ZINC000541688151 333786780 /nfs/dbraw/zinc/78/67/80/333786780.db2.gz SQNULMHLABQLBK-NJSLBKSFSA-N 0 3 292.382 3.601 20 30 CHEDHN CCCc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000541951661 333804047 /nfs/dbraw/zinc/80/40/47/333804047.db2.gz GZRZWMOXAJKAHI-UHFFFAOYSA-N 0 3 256.393 3.765 20 30 CHEDHN N#CCCCNCc1cnc(C2CCCCC2)s1 ZINC000542310229 333821217 /nfs/dbraw/zinc/82/12/17/333821217.db2.gz ZKNVEJVXPFSDGW-UHFFFAOYSA-N 0 3 263.410 3.584 20 30 CHEDHN C[C@@H](NC1Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000545159619 333965353 /nfs/dbraw/zinc/96/53/53/333965353.db2.gz UPLGGPPPVKQDJY-GFCCVEGCSA-N 0 3 280.346 3.515 20 30 CHEDHN C=CCC[C@H](CCC)NCc1cn2cccc(C)c2n1 ZINC000545191518 333967797 /nfs/dbraw/zinc/96/77/97/333967797.db2.gz ZGNWTGAEMPUAPK-HNNXBMFYSA-N 0 3 271.408 3.867 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000545948389 334008412 /nfs/dbraw/zinc/00/84/12/334008412.db2.gz IZWKHLOXLXYAOT-UXIGCNINSA-N 0 3 262.784 3.725 20 30 CHEDHN C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000576224668 335173365 /nfs/dbraw/zinc/17/33/65/335173365.db2.gz KXEKYSYFEMPEFI-ABFRBSLYSA-N 0 3 272.392 3.577 20 30 CHEDHN C=C(C)C[C@@H](C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000546639556 334042895 /nfs/dbraw/zinc/04/28/95/334042895.db2.gz LHBOTYAQUYEQMG-CYBMUJFWSA-N 0 3 285.391 3.868 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000076734009 334087979 /nfs/dbraw/zinc/08/79/79/334087979.db2.gz CFWUPFWAXZNLAM-ZDUSSCGKSA-N 0 3 294.826 3.873 20 30 CHEDHN CC[C@H]1CCCCCN1Cc1cc(C#N)ccc1F ZINC000134725353 334101805 /nfs/dbraw/zinc/10/18/05/334101805.db2.gz WAZAJCBPDHEIQO-HNNXBMFYSA-N 0 3 260.356 3.852 20 30 CHEDHN C=CCOc1cccc(CNCC(C)(C)C(F)(F)F)c1 ZINC000548972809 334181713 /nfs/dbraw/zinc/18/17/13/334181713.db2.gz UVYDFXFIENIPFU-UHFFFAOYSA-N 0 3 287.325 3.930 20 30 CHEDHN N#CC1(c2ccccn2)CCN([C@@H]2C=CCCCCC2)CC1 ZINC000549673792 334201391 /nfs/dbraw/zinc/20/13/91/334201391.db2.gz YBYCNHILAIFKFP-QGZVFWFLSA-N 0 3 295.430 3.828 20 30 CHEDHN C=CCOCCN[C@@H](Cc1ccccc1)c1cccs1 ZINC000549931820 334209415 /nfs/dbraw/zinc/20/94/15/334209415.db2.gz KUERVBODKNMCMX-INIZCTEOSA-N 0 3 287.428 3.824 20 30 CHEDHN CCc1nc(C(C)C)ccc1CN1CCC(CC#N)CC1 ZINC000549930826 334209448 /nfs/dbraw/zinc/20/94/48/334209448.db2.gz CEFVWNUGKTWBPO-UHFFFAOYSA-N 0 3 285.435 3.893 20 30 CHEDHN C=CCCC[C@H](C)NCc1cc(OC)ccc1F ZINC000550200026 334215951 /nfs/dbraw/zinc/21/59/51/334215951.db2.gz VRTIXNGHHLMYRN-LBPRGKRZSA-N 0 3 251.345 3.669 20 30 CHEDHN Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1C ZINC000551230043 334241729 /nfs/dbraw/zinc/24/17/29/334241729.db2.gz ICOURSQJAIRYLG-UHFFFAOYSA-N 0 3 276.383 3.954 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCc1ccn(Cc2ccccc2)n1 ZINC000551814191 334262912 /nfs/dbraw/zinc/26/29/12/334262912.db2.gz VSXVFLDOSPILAZ-HOTGVXAUSA-N 0 3 283.419 3.622 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000552061507 334283506 /nfs/dbraw/zinc/28/35/06/334283506.db2.gz NYIBTCJQIOQJPE-GOSISDBHSA-N 0 3 276.383 3.938 20 30 CHEDHN C=CCC[C@H](C)NCc1c(F)cccc1SC ZINC000552323709 334316952 /nfs/dbraw/zinc/31/69/52/334316952.db2.gz OZWRQVGTJISULS-NSHDSACASA-N 0 3 253.386 3.992 20 30 CHEDHN CCN(C[C@H](C)C#N)[C@H](C)CCc1cccc(F)c1 ZINC000248396426 334300140 /nfs/dbraw/zinc/30/01/40/334300140.db2.gz ZYPLQVGQCMUFQH-ZIAGYGMSSA-N 0 3 262.372 3.628 20 30 CHEDHN Cc1cccnc1[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000248832794 334318968 /nfs/dbraw/zinc/31/89/68/334318968.db2.gz MSSQUBSLDOCEBQ-BZUAXINKSA-N 0 3 271.408 3.759 20 30 CHEDHN CCC[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180587 334358304 /nfs/dbraw/zinc/35/83/04/334358304.db2.gz ZWUSTBQWHYWYSZ-LBPRGKRZSA-N 0 3 269.310 3.835 20 30 CHEDHN C=CCC[C@@H](NCc1ccn(C2CCCC2)n1)C1CC1 ZINC000090547200 334363133 /nfs/dbraw/zinc/36/31/33/334363133.db2.gz YXLARIDVQOQKEF-QGZVFWFLSA-N 0 3 273.424 3.833 20 30 CHEDHN N#CCCN[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000565652702 334584266 /nfs/dbraw/zinc/58/42/66/334584266.db2.gz AAOQXOJTFWLLOH-ZFWWWQNUSA-N 0 3 262.784 3.869 20 30 CHEDHN C=CCCCNCc1ncc(-c2ccccc2)s1 ZINC000565755720 334594193 /nfs/dbraw/zinc/59/41/93/334594193.db2.gz WAIVSGVPDMCDSH-UHFFFAOYSA-N 0 3 258.390 3.866 20 30 CHEDHN COc1cccc([C@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000343868196 335225211 /nfs/dbraw/zinc/22/52/11/335225211.db2.gz XXGXXMXCSVAPJE-AWEZNQCLSA-N 0 3 280.371 3.612 20 30 CHEDHN COc1ccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000576674938 335233573 /nfs/dbraw/zinc/23/35/73/335233573.db2.gz ZODOHERLIHWERS-YJYMSZOUSA-N 0 3 292.382 3.905 20 30 CHEDHN C[C@H](NC[C@@H](C#N)CCC#N)C1(c2ccccc2)CCCC1 ZINC000580555405 335279605 /nfs/dbraw/zinc/27/96/05/335279605.db2.gz QYGDRIIWCPKOQT-DLBZAZTESA-N 0 3 295.430 3.920 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)cn1)C(C)(C)c1ccccc1 ZINC000580565569 335287645 /nfs/dbraw/zinc/28/76/45/335287645.db2.gz AKBHROGUNGLJJZ-GOSISDBHSA-N 0 3 293.414 3.799 20 30 CHEDHN COc1ccsc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000577372750 335344053 /nfs/dbraw/zinc/34/40/53/335344053.db2.gz OJNSMDIAIMKSPP-LBPRGKRZSA-N 0 3 286.400 3.674 20 30 CHEDHN N#Cc1csc(CNC2(c3ccccc3)CCC2)c1 ZINC000177693132 335379415 /nfs/dbraw/zinc/37/94/15/335379415.db2.gz HWXSLDPSIISAQC-UHFFFAOYSA-N 0 3 268.385 3.789 20 30 CHEDHN N#Cc1csc(CNCCc2cc3ccccc3o2)c1 ZINC000177704634 335380336 /nfs/dbraw/zinc/38/03/36/335380336.db2.gz LCXNDYBGVBEKBL-UHFFFAOYSA-N 0 3 282.368 3.698 20 30 CHEDHN CCC[C@@H](CN1CCC(C#N)CC1)c1ccccc1 ZINC000179924763 335532646 /nfs/dbraw/zinc/53/26/46/335532646.db2.gz CKJUYTYYMWIIRN-KRWDZBQOSA-N 0 3 256.393 3.806 20 30 CHEDHN C=CCN[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180091402 335549304 /nfs/dbraw/zinc/54/93/04/335549304.db2.gz DDJMHGQTEYZAIM-CYBMUJFWSA-N 0 3 263.381 3.567 20 30 CHEDHN CC[C@H](CC#N)NCCCc1ccccc1Br ZINC000578450813 335636155 /nfs/dbraw/zinc/63/61/55/335636155.db2.gz MHBWKWDPOQMZGV-CYBMUJFWSA-N 0 3 295.224 3.664 20 30 CHEDHN CC(C)(CCC#N)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000183810276 335906777 /nfs/dbraw/zinc/90/67/77/335906777.db2.gz NJHBUYYCVSBRIR-UHFFFAOYSA-N 0 3 295.770 3.668 20 30 CHEDHN C=CCN(C)[C@@H](C)c1cccc(Br)c1 ZINC000194971834 336041606 /nfs/dbraw/zinc/04/16/06/336041606.db2.gz MMOWCEFOLAQXAN-JTQLQIEISA-N 0 3 254.171 3.628 20 30 CHEDHN C[C@@H](c1ccccc1)N(C)CCOc1ccccc1C#N ZINC000383934207 336119563 /nfs/dbraw/zinc/11/95/63/336119563.db2.gz KCLLYNLTEDLROP-HNNXBMFYSA-N 0 3 280.371 3.630 20 30 CHEDHN CN(CCNc1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000386773357 336179377 /nfs/dbraw/zinc/17/93/77/336179377.db2.gz KUABHUZIMUUXSW-UHFFFAOYSA-N 0 3 299.805 3.756 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)CCSc1ccccc1 ZINC000582011675 336191819 /nfs/dbraw/zinc/19/18/19/336191819.db2.gz KCEFWVBXRXNWFQ-UONOGXRCSA-N 0 3 262.422 3.839 20 30 CHEDHN C=C(C)CCNCc1ccccc1OCc1cccnc1 ZINC000449476094 517315052 /nfs/dbraw/zinc/31/50/52/517315052.db2.gz MIOXLNHRFMSUAJ-UHFFFAOYSA-N 0 3 282.387 3.716 20 30 CHEDHN CC(C)Oc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000040443740 519783119 /nfs/dbraw/zinc/78/31/19/519783119.db2.gz PYHWTLIULJFSAB-UHFFFAOYSA-N 0 3 280.371 3.635 20 30 CHEDHN CCN(C[C@@H]1CC[C@@H](C)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000248889982 521230762 /nfs/dbraw/zinc/23/07/62/521230762.db2.gz IBFRWFXMKJDATD-KEYYUXOJSA-N 0 3 272.392 3.509 20 30 CHEDHN CCS[C@H]1CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC000112088017 521730422 /nfs/dbraw/zinc/73/04/22/521730422.db2.gz OXZRBYNRDRFXAL-HNNXBMFYSA-N 0 3 292.423 3.805 20 30 CHEDHN CCc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000084200262 521843651 /nfs/dbraw/zinc/84/36/51/521843651.db2.gz GZGPGTSLZRLPGT-CQSZACIVSA-N 0 3 264.372 3.971 20 30 CHEDHN N#CCCCN[C@@H]1CCSc2c(Cl)cccc21 ZINC000346805835 534612465 /nfs/dbraw/zinc/61/24/65/534612465.db2.gz JAMBOZNTVDAKOT-GFCCVEGCSA-N 0 3 266.797 3.770 20 30 CHEDHN CC[C@H](N[C@@H](COC)c1ccccc1)c1ccc(C#N)cc1 ZINC000278665350 522709801 /nfs/dbraw/zinc/70/98/01/522709801.db2.gz IZHYIOWZIZBXMP-OALUTQOASA-N 0 3 294.398 3.987 20 30 CHEDHN CC[C@@H](NCc1ccccc1N(C)C)c1ccc(C#N)cc1 ZINC000278879810 522883715 /nfs/dbraw/zinc/88/37/15/522883715.db2.gz XWGRIFZFTHUBJA-GOSISDBHSA-N 0 3 293.414 3.865 20 30 CHEDHN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc(C#N)cc1 ZINC000272078509 523549889 /nfs/dbraw/zinc/54/98/89/523549889.db2.gz QRMFTOVUKJFSLQ-FZKQIMNGSA-N 0 3 298.361 3.563 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2csc3ccccc23)C1 ZINC000336611816 534755675 /nfs/dbraw/zinc/75/56/75/534755675.db2.gz UFIBELWEVNYEHJ-WCQYABFASA-N 0 3 256.374 3.683 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)s1 ZINC000050225352 524606127 /nfs/dbraw/zinc/60/61/27/524606127.db2.gz FCJITAABGUVOQG-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000129852024 524759804 /nfs/dbraw/zinc/75/98/04/524759804.db2.gz HZUSXNQLQSNSCE-CYBMUJFWSA-N 0 3 298.411 3.618 20 30 CHEDHN COc1cccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000299455056 525916657 /nfs/dbraw/zinc/91/66/57/525916657.db2.gz XRTTZHJYIFGIEE-AWEZNQCLSA-N 0 3 280.371 3.760 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccs1 ZINC000265456395 526043929 /nfs/dbraw/zinc/04/39/29/526043929.db2.gz FJXKZXPHMZWDQK-GFCCVEGCSA-N 0 3 256.374 3.813 20 30 CHEDHN C=CCN(CC[C@@H]1CCCCO1)Cc1ccc(OC)cc1 ZINC000347389821 526306653 /nfs/dbraw/zinc/30/66/53/526306653.db2.gz GBDCWKYZXCTODG-SFHVURJKSA-N 0 3 289.419 3.642 20 30 CHEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)s1 ZINC000276616211 526623486 /nfs/dbraw/zinc/62/34/86/526623486.db2.gz JTTHGHRSNHLDCT-ZDUSSCGKSA-N 0 3 290.432 3.591 20 30 CHEDHN N#Cc1cccc(CNC2(c3ccccc3)CCC2)c1 ZINC000051188660 526707695 /nfs/dbraw/zinc/70/76/95/526707695.db2.gz CEWLDQBKQCNYRD-UHFFFAOYSA-N 0 3 262.356 3.727 20 30 CHEDHN C=CCOCCCN(Cc1ccco1)Cc1ccccc1 ZINC000347968340 526749864 /nfs/dbraw/zinc/74/98/64/526749864.db2.gz JKWWOEPANUHVCB-UHFFFAOYSA-N 0 3 285.387 3.875 20 30 CHEDHN C=CCOCCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000347958911 526754795 /nfs/dbraw/zinc/75/47/95/526754795.db2.gz DCBSTLDOEXBDGE-MRXNPFEDSA-N 0 3 263.356 3.555 20 30 CHEDHN C=CCOc1cccc(CNCc2ccc3c(c2)COC3)c1 ZINC000344992152 526904008 /nfs/dbraw/zinc/90/40/08/526904008.db2.gz JHMLTPHPAXFNJG-UHFFFAOYSA-N 0 3 295.382 3.571 20 30 CHEDHN C=CC1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000353601932 526980594 /nfs/dbraw/zinc/98/05/94/526980594.db2.gz BVPRPCUBOIRQOT-UHFFFAOYSA-N 0 3 295.430 3.887 20 30 CHEDHN C=CCC[C@@H](NCCCNc1ccccn1)c1ccco1 ZINC000353528157 527446901 /nfs/dbraw/zinc/44/69/01/527446901.db2.gz NRCXIJHHFYVARQ-OAHLLOKOSA-N 0 3 285.391 3.774 20 30 CHEDHN C=CCC[C@H](N[C@@H](C)C[C@@H]1CCCO1)c1ccco1 ZINC000353494460 527487351 /nfs/dbraw/zinc/48/73/51/527487351.db2.gz CUWLYZXUEXJXCM-KKUMJFAQSA-N 0 3 263.381 3.834 20 30 CHEDHN CC(C)CC[C@@H]1CCC[C@H]1NCc1nc(C#N)cs1 ZINC000352825503 527826335 /nfs/dbraw/zinc/82/63/35/527826335.db2.gz UGWKQRMRWBXQGB-GXTWGEPZSA-N 0 3 277.437 3.709 20 30 CHEDHN CCCN(Cc1ccc(C#N)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000353749573 528134817 /nfs/dbraw/zinc/13/48/17/528134817.db2.gz VNVKNHJWZXLURD-JKSUJKDBSA-N 0 3 290.407 3.567 20 30 CHEDHN CC[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1F ZINC000354677050 529317078 /nfs/dbraw/zinc/31/70/78/529317078.db2.gz OTJHREZKBWNDKA-LLVKDONJSA-N 0 3 274.261 3.518 20 30 CHEDHN N#Cc1cccc(CN2CCC3(CCCC3)C2)c1Cl ZINC001140809670 1119956965 /nfs/dbraw/zinc/95/69/65/1119956965.db2.gz BJTOCEFNGPGOGO-UHFFFAOYSA-N 0 3 274.795 3.978 20 30 CHEDHN CN(CCc1cccs1)Cc1ccc(C#N)cc1Cl ZINC000162921524 1120697424 /nfs/dbraw/zinc/69/74/24/1120697424.db2.gz XWYIBRHFPWLKKQ-UHFFFAOYSA-N 0 3 290.819 3.948 20 30 CHEDHN C#CCN(CC)Cc1cc(Cl)cc2ccccc21 ZINC001191389110 1122595193 /nfs/dbraw/zinc/59/51/93/1122595193.db2.gz CXSGJYIGYWPZMC-UHFFFAOYSA-N 0 3 257.764 3.948 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1Cl)C1CCC1 ZINC000439434512 1122779077 /nfs/dbraw/zinc/77/90/77/1122779077.db2.gz DRLVVXDQCWHGRO-UHFFFAOYSA-N 0 3 262.784 3.975 20 30 CHEDHN CCCCCCCCN(C)Cc1cc(O)cc(O)c1 ZINC001138328842 1131491877 /nfs/dbraw/zinc/49/18/77/1131491877.db2.gz ZNDPPAVIGVELDF-UHFFFAOYSA-N 0 3 265.397 3.890 20 30 CHEDHN C=CCCCCCCCCC(=O)N[C@H]1CCCN(C)C1 ZINC001144798137 1131708439 /nfs/dbraw/zinc/70/84/39/1131708439.db2.gz CJQRWKVVPIULPN-INIZCTEOSA-N 0 3 280.456 3.504 20 30 CHEDHN C[C@H]1CCCCCN1Cc1cccc(C#N)c1Cl ZINC001140811184 1131932270 /nfs/dbraw/zinc/93/22/70/1131932270.db2.gz MBSVIEWHHSNOPX-LBPRGKRZSA-N 0 3 262.784 3.976 20 30 CHEDHN C=CC[C@@H](Oc1ccc2c(c1)CCN(C)C2)C(C)C ZINC001228943679 1131983042 /nfs/dbraw/zinc/98/30/42/1131983042.db2.gz IFBXEELCXVSVIS-QGZVFWFLSA-N 0 3 259.393 3.654 20 30 CHEDHN CCCCCCCC[C@H](CC)N1CC[C@@H](O)[C@H](F)C1 ZINC001172504546 1132254348 /nfs/dbraw/zinc/25/43/48/1132254348.db2.gz GFNAMFRLMGWGDZ-ARFHVFGLSA-N 0 3 273.436 3.920 20 30 CHEDHN CC[C@H]1CCCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232115545 1132423710 /nfs/dbraw/zinc/42/37/10/1132423710.db2.gz UCTXKAFUMGHFDQ-AWEZNQCLSA-N 0 3 262.784 3.976 20 30 CHEDHN CCCCCCCCCCN(C)Cc1cncn1C ZINC001204385502 1132782168 /nfs/dbraw/zinc/78/21/68/1132782168.db2.gz HVSGQDULDSDJGZ-UHFFFAOYSA-N 0 3 265.445 3.993 20 30 CHEDHN C=CCCCCCCCCCN1CCN(C(C)=O)C[C@@H]1C ZINC001207899950 1133858574 /nfs/dbraw/zinc/85/85/74/1133858574.db2.gz QVIMLNWOWLHMGN-KRWDZBQOSA-N 0 3 294.483 3.846 20 30 CHEDHN C=CCCCCCCO[C@H]1CNCc2ccccc21 ZINC001217940832 1135028042 /nfs/dbraw/zinc/02/80/42/1135028042.db2.gz LIMMMKKPCHFEIZ-KRWDZBQOSA-N 0 3 259.393 3.984 20 30 CHEDHN COc1c(Cl)cccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000897482334 1125528484 /nfs/dbraw/zinc/52/84/84/1125528484.db2.gz QEZTWPBJGPNBHI-DGCLKSJQSA-N 0 3 278.783 3.521 20 30 CHEDHN COc1c(Cl)cccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000897482333 1125529365 /nfs/dbraw/zinc/52/93/65/1125529365.db2.gz QEZTWPBJGPNBHI-AAEUAGOBSA-N 0 3 278.783 3.521 20 30 CHEDHN C=C(C)COc1cc(CN2C3CCC2CC3)ccc1OC ZINC000536633283 1125539037 /nfs/dbraw/zinc/53/90/37/1125539037.db2.gz ONLQTPBFSSEDKC-UHFFFAOYSA-N 0 3 287.403 3.777 20 30 CHEDHN N#CCCCCNCc1csc(-c2ccccc2)n1 ZINC000237818350 1125566763 /nfs/dbraw/zinc/56/67/63/1125566763.db2.gz BXPYSKSVZVQXPW-UHFFFAOYSA-N 0 3 271.389 3.594 20 30 CHEDHN C=C(CC)CN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000348342171 1125598335 /nfs/dbraw/zinc/59/83/35/1125598335.db2.gz LBMOJLZCLYODPM-OAHLLOKOSA-N 0 3 269.392 3.548 20 30 CHEDHN C=CC[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000136317585 1125624369 /nfs/dbraw/zinc/62/43/69/1125624369.db2.gz VDUQDTDCAUCTMJ-UHFFFAOYSA-N 0 3 253.345 3.580 20 30 CHEDHN C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000136317585 1125624371 /nfs/dbraw/zinc/62/43/71/1125624371.db2.gz VDUQDTDCAUCTMJ-UHFFFAOYSA-N 0 3 253.345 3.580 20 30 CHEDHN CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191948742 1125705850 /nfs/dbraw/zinc/70/58/50/1125705850.db2.gz ZUJBATJTNZGBMX-UHFFFAOYSA-N 0 3 298.361 3.728 20 30 CHEDHN C=CCC1(O)CCN([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000886778793 1125717381 /nfs/dbraw/zinc/71/73/81/1125717381.db2.gz UOWKXYZXPDAROE-INIZCTEOSA-N 0 3 291.822 3.730 20 30 CHEDHN CCS[C@@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192020867 1125732931 /nfs/dbraw/zinc/73/29/31/1125732931.db2.gz QFWUNLNUNQZJQB-OAHLLOKOSA-N 0 3 292.423 3.805 20 30 CHEDHN C=CC1CC[NH+](Cc2ccc([O-])c3nc(C)ccc23)CC1 ZINC000338311794 1126733762 /nfs/dbraw/zinc/73/37/62/1126733762.db2.gz CSGMQEMHJOJAND-UHFFFAOYSA-N 0 3 282.387 3.647 20 30 CHEDHN CCCCCCC[C@H](C)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000826888770 1130307639 /nfs/dbraw/zinc/30/76/39/1130307639.db2.gz KQLKUPTXNVJLKM-MELADBBJSA-N 0 3 264.417 3.623 20 30 CHEDHN N#Cc1cc(CN(Cc2ccccc2)C2CC2)ccc1F ZINC000160659466 1126765758 /nfs/dbraw/zinc/76/57/58/1126765758.db2.gz QDSMYYGWYCAUNS-UHFFFAOYSA-N 0 3 280.346 3.862 20 30 CHEDHN COc1ccc([C@H](C)N(C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000160661700 1126766414 /nfs/dbraw/zinc/76/64/14/1126766414.db2.gz XIRJECNIUUWODM-ZDUSSCGKSA-N 0 3 298.361 3.899 20 30 CHEDHN C=CCOc1ccc(CNCc2cc(C)ccc2NC)cc1 ZINC000902556844 1126767241 /nfs/dbraw/zinc/76/72/41/1126767241.db2.gz FOZBQNHAPSLOLA-UHFFFAOYSA-N 0 3 296.414 3.891 20 30 CHEDHN N#Cc1ccc(F)c(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000483102678 1126767868 /nfs/dbraw/zinc/76/78/68/1126767868.db2.gz XHFGMFNLKCAFKA-OAHLLOKOSA-N 0 3 298.336 3.826 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000483114853 1126768296 /nfs/dbraw/zinc/76/82/96/1126768296.db2.gz LMMMUPOPSLNHCO-MRXNPFEDSA-N 0 3 298.336 3.826 20 30 CHEDHN N#Cc1ccc(F)cc1CN(CC1CC1)CC1CCC1 ZINC000483284201 1126778384 /nfs/dbraw/zinc/77/83/84/1126778384.db2.gz ULWFWNAZKDPIDK-UHFFFAOYSA-N 0 3 272.367 3.709 20 30 CHEDHN CC[C@H](NCc1ccsc1)c1cccc(C#N)c1 ZINC000902747870 1126779098 /nfs/dbraw/zinc/77/90/98/1126779098.db2.gz YDHOQEQOWRAYBQ-HNNXBMFYSA-N 0 3 256.374 3.861 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000483578330 1126792930 /nfs/dbraw/zinc/79/29/30/1126792930.db2.gz IRJKHUMJBWNBRX-UHFFFAOYSA-N 0 3 294.373 3.928 20 30 CHEDHN CCC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000483944898 1126806779 /nfs/dbraw/zinc/80/67/79/1126806779.db2.gz CZASIZOVCLEKHT-ZDUSSCGKSA-N 0 3 260.356 3.709 20 30 CHEDHN N#CCCCN[C@@H](COc1ccccc1F)c1ccccc1 ZINC000180327179 1126842088 /nfs/dbraw/zinc/84/20/88/1126842088.db2.gz BUJMJFWZPLKFIU-KRWDZBQOSA-N 0 3 298.361 3.839 20 30 CHEDHN CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1F ZINC000181715872 1126859638 /nfs/dbraw/zinc/85/96/38/1126859638.db2.gz GCKYEFQHTFXQNQ-CYBMUJFWSA-N 0 3 298.361 3.947 20 30 CHEDHN Cc1cc(C)c(/C=C/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000905083817 1126888924 /nfs/dbraw/zinc/88/89/24/1126888924.db2.gz FTAGJZQHIDWBMS-FKVVJADZSA-N 0 3 293.370 3.600 20 30 CHEDHN C#CCCOc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1 ZINC000183705436 1126891063 /nfs/dbraw/zinc/89/10/63/1126891063.db2.gz ZYGLFPKKSXWENA-INIZCTEOSA-N 0 3 294.398 3.677 20 30 CHEDHN C=C(C)[C@@H](N[C@@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000186453237 1126906599 /nfs/dbraw/zinc/90/65/99/1126906599.db2.gz VIOCRRAMJVMORM-BXUZGUMPSA-N 0 3 269.360 3.677 20 30 CHEDHN CN(Cc1cc(C#N)cs1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000906598180 1126961104 /nfs/dbraw/zinc/96/11/04/1126961104.db2.gz UEUZICHMQAAWPQ-JKSUJKDBSA-N 0 3 286.375 3.747 20 30 CHEDHN C=CCC[C@H](N[C@H](C)c1ccnn1C)c1ccccc1 ZINC000193034332 1126966133 /nfs/dbraw/zinc/96/61/33/1126966133.db2.gz OZMJLRXJZIVAHZ-ZBFHGGJFSA-N 0 3 269.392 3.778 20 30 CHEDHN CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000266676873 1126986722 /nfs/dbraw/zinc/98/67/22/1126986722.db2.gz ZYEFEGKQRYDKGQ-AWEZNQCLSA-N 0 3 280.371 3.808 20 30 CHEDHN C=CCOc1cccc(CNCc2cscc2C)c1 ZINC000487151943 1127019464 /nfs/dbraw/zinc/01/94/64/1127019464.db2.gz DWKRJHOLRPJKQM-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H](CO)c1ccc(F)cc1F ZINC000668757121 1127024066 /nfs/dbraw/zinc/02/40/66/1127024066.db2.gz ZBYRDHKHUWZXST-WBMJQRKESA-N 0 3 283.362 3.723 20 30 CHEDHN CCN(Cc1cnccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000269566282 1127041613 /nfs/dbraw/zinc/04/16/13/1127041613.db2.gz KTIGYVREWSXQAM-OAHLLOKOSA-N 0 3 279.387 3.845 20 30 CHEDHN CC[C@H](SC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567425 1130994128 /nfs/dbraw/zinc/99/41/28/1130994128.db2.gz HUYRTJHTQCKDMR-UWVGGRQHSA-N 0 3 296.461 3.758 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000271198423 1127072516 /nfs/dbraw/zinc/07/25/16/1127072516.db2.gz SIGJTUPOKQAGFO-ZDUSSCGKSA-N 0 3 286.375 3.748 20 30 CHEDHN C=CCC[C@@H](NCc1c(F)cc(F)cc1F)C1CC1 ZINC000815650218 1131018233 /nfs/dbraw/zinc/01/82/33/1131018233.db2.gz LWKVALDJKUKKFD-OAHLLOKOSA-N 0 3 269.310 3.938 20 30 CHEDHN CN(Cc1ccc(F)c(Cl)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000339127791 1127114538 /nfs/dbraw/zinc/11/45/38/1127114538.db2.gz XTRJPOZBQOLIBW-CMPLNLGQSA-N 0 3 266.747 3.603 20 30 CHEDHN CN(Cc1ccc(F)c(Cl)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000339127793 1127114595 /nfs/dbraw/zinc/11/45/95/1127114595.db2.gz XTRJPOZBQOLIBW-PWSUYJOCSA-N 0 3 266.747 3.603 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC=C(c2ccco2)C1 ZINC000586773592 1127138601 /nfs/dbraw/zinc/13/86/01/1127138601.db2.gz MRAIIZZHQXPNCN-UHFFFAOYSA-N 0 3 278.355 3.749 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000349296371 1127146069 /nfs/dbraw/zinc/14/60/69/1127146069.db2.gz FMHMXJIUINVDAF-LALPHHSUSA-N 0 3 290.794 3.836 20 30 CHEDHN C=CCN(Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000350257265 1127176325 /nfs/dbraw/zinc/17/63/25/1127176325.db2.gz APLFXENGLUMSTK-UHFFFAOYSA-N 0 3 294.398 3.811 20 30 CHEDHN C=CCC[C@H](O)CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000351614607 1127198459 /nfs/dbraw/zinc/19/84/59/1127198459.db2.gz HZRDSUFPYRAEEW-JLJPHGGASA-N 0 3 289.419 3.695 20 30 CHEDHN CC(C)(C)CN(CCC#N)CC1Cc2ccccc2C1 ZINC000589498520 1127223549 /nfs/dbraw/zinc/22/35/49/1127223549.db2.gz XPCDBFUDZJESAA-UHFFFAOYSA-N 0 3 270.420 3.663 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)c1ccc(C)o1)c1ccco1 ZINC000285898006 1127246239 /nfs/dbraw/zinc/24/62/39/1127246239.db2.gz CPJBAFVZZJFHFD-ZIAGYGMSSA-N 0 3 275.348 3.512 20 30 CHEDHN C=CCC[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccco1 ZINC000285967136 1127249434 /nfs/dbraw/zinc/24/94/34/1127249434.db2.gz GYGNDXBXSMGZBA-GDBMZVCRSA-N 0 3 291.416 3.846 20 30 CHEDHN CN(Cc1ccc(C#N)cc1Cl)C[C@H]1CC1(C)C ZINC001238086480 1131169492 /nfs/dbraw/zinc/16/94/92/1131169492.db2.gz HFUJFZMWBUNTMB-CYBMUJFWSA-N 0 3 262.784 3.690 20 30 CHEDHN C=CCSCCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000543754938 1127272576 /nfs/dbraw/zinc/27/25/76/1127272576.db2.gz UHFCLNXXWASWIG-NSHDSACASA-N 0 3 285.840 3.918 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000591728609 1127315827 /nfs/dbraw/zinc/31/58/27/1127315827.db2.gz YHCMVDRRJUJURZ-KBAYOESNSA-N 0 3 281.403 3.746 20 30 CHEDHN C[C@]1(Cc2ccccc2)CCCN1Cc1ccncc1C#N ZINC000592106543 1127333368 /nfs/dbraw/zinc/33/33/68/1127333368.db2.gz WBCNPKGZYLQMRC-LJQANCHMSA-N 0 3 291.398 3.550 20 30 CHEDHN N#Cc1cnccc1CN[C@H]1CCCC[C@H]1c1ccccc1 ZINC000592108333 1127333672 /nfs/dbraw/zinc/33/36/72/1127333672.db2.gz VWDHMYSLFDPWRE-OALUTQOASA-N 0 3 291.398 3.769 20 30 CHEDHN CCCN(Cc1ccncc1C#N)CC1CCCCC1 ZINC000592063873 1127335208 /nfs/dbraw/zinc/33/52/08/1127335208.db2.gz LBNWTKDDUVQFQE-UHFFFAOYSA-N 0 3 271.408 3.746 20 30 CHEDHN CN(Cc1ccncc1C#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC000592125151 1127336827 /nfs/dbraw/zinc/33/68/27/1127336827.db2.gz RBXDKFDUYVRYFD-CVEARBPZSA-N 0 3 271.408 3.600 20 30 CHEDHN CC[C@H](C)C[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877067716 1127342584 /nfs/dbraw/zinc/34/25/84/1127342584.db2.gz LQFOXTFHTYOMPV-QWRGUYRKSA-N 0 3 265.788 3.521 20 30 CHEDHN CC(C)O[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000593053923 1127369957 /nfs/dbraw/zinc/36/99/57/1127369957.db2.gz OIXFSZSBHQGRMJ-YOEHRIQHSA-N 0 3 272.392 3.509 20 30 CHEDHN C=C[C@H](CO)N[C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000289866339 1127385544 /nfs/dbraw/zinc/38/55/44/1127385544.db2.gz RFWSQKOYCUPHBM-BXUZGUMPSA-N 0 3 299.386 3.515 20 30 CHEDHN C[C@H](CCc1ccccc1F)NCC1(C#N)CCCC1 ZINC000593653469 1127393100 /nfs/dbraw/zinc/39/31/00/1127393100.db2.gz MDEGCJJIYFAMNP-CQSZACIVSA-N 0 3 274.383 3.820 20 30 CHEDHN CC1(C)C[C@H](N[C@@H]2CC[C@@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593674549 1127394634 /nfs/dbraw/zinc/39/46/34/1127394634.db2.gz XHYYDLCILAXTIA-KYOSRNDESA-N 0 3 288.366 3.710 20 30 CHEDHN C=CCC[C@H](NC[C@@H](C)C(=O)OC(C)(C)C)c1ccco1 ZINC000594508376 1127419661 /nfs/dbraw/zinc/41/96/61/1127419661.db2.gz BNMKSYMNXAICAG-KGLIPLIRSA-N 0 3 293.407 3.854 20 30 CHEDHN Cc1cc(C)cc(CNCc2cc(C#N)cs2)c1 ZINC000594974387 1127438277 /nfs/dbraw/zinc/43/82/77/1127438277.db2.gz ZTKCYXMTHSDVAL-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN N#CC1(CN[C@H]2CCc3ccccc3C2)CCCCC1 ZINC000594993762 1127444404 /nfs/dbraw/zinc/44/44/04/1127444404.db2.gz GMPPFIGRXBIEHH-KRWDZBQOSA-N 0 3 268.404 3.608 20 30 CHEDHN COc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1C ZINC000595105710 1127453139 /nfs/dbraw/zinc/45/31/39/1127453139.db2.gz PJDZUDRYRMYIFS-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN COC1([C@H](C)NCC2(C#N)CCCCC2)CCCCC1 ZINC000595090061 1127454142 /nfs/dbraw/zinc/45/41/42/1127454142.db2.gz CAZQCYFJDRUWGO-HNNXBMFYSA-N 0 3 278.440 3.788 20 30 CHEDHN COc1ccccc1C[C@H](C)NCC1(C#N)CCCCC1 ZINC000595092230 1127454666 /nfs/dbraw/zinc/45/46/66/1127454666.db2.gz ZVROTQRJAKEKRV-HNNXBMFYSA-N 0 3 286.419 3.690 20 30 CHEDHN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC000359306539 1127458037 /nfs/dbraw/zinc/45/80/37/1127458037.db2.gz XFHDKDDUPGTZDX-CXAGYDPISA-N 0 3 272.367 3.709 20 30 CHEDHN CO[C@H](CN[C@H](CCC#N)c1ccccc1)C1CCCC1 ZINC000595422423 1127462509 /nfs/dbraw/zinc/46/25/09/1127462509.db2.gz XSTRZCUIWKDWSB-QZTJIDSGSA-N 0 3 286.419 3.826 20 30 CHEDHN C=CCCC[C@H](C)N(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000359515764 1127465865 /nfs/dbraw/zinc/46/58/65/1127465865.db2.gz OFDCMVNNNOBHSB-LBPRGKRZSA-N 0 3 279.380 3.551 20 30 CHEDHN Cc1cccc(C)c1[C@@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000595600967 1127469354 /nfs/dbraw/zinc/46/93/54/1127469354.db2.gz LRHBTBANRDEIBZ-SFHVURJKSA-N 0 3 291.398 3.907 20 30 CHEDHN CC(C)Oc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000595610723 1127470169 /nfs/dbraw/zinc/47/01/69/1127470169.db2.gz ANIVKNFXCRUFOD-OAHLLOKOSA-N 0 3 272.392 3.599 20 30 CHEDHN N#CC[C@@H]1CCCN(CCOc2ccc3ccccc3c2)C1 ZINC000595610402 1127470307 /nfs/dbraw/zinc/47/03/07/1127470307.db2.gz XWSIKAQVHSKQMR-INIZCTEOSA-N 0 3 294.398 3.844 20 30 CHEDHN C=CCC1(NCc2ccsc2C(=O)OC)CCCC1 ZINC000595779702 1127476413 /nfs/dbraw/zinc/47/64/13/1127476413.db2.gz FHIFFTUXEFVMGG-UHFFFAOYSA-N 0 3 279.405 3.513 20 30 CHEDHN C[C@]1(C#N)CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000595841773 1127478034 /nfs/dbraw/zinc/47/80/34/1127478034.db2.gz OCLJGKVINGQUQT-KBAYOESNSA-N 0 3 268.404 3.806 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CCC(=Cc3ccccc3F)CC2)C1 ZINC000292738015 1127479180 /nfs/dbraw/zinc/47/91/80/1127479180.db2.gz HCMGVGSVQNFNBA-NVXWUHKLSA-N 0 3 284.378 3.997 20 30 CHEDHN CC(C)N(Cc1ccc(Cl)cc1C#N)C1CCC1 ZINC000360037089 1127487490 /nfs/dbraw/zinc/48/74/90/1127487490.db2.gz ISKZMYHFVWCFPR-UHFFFAOYSA-N 0 3 262.784 3.975 20 30 CHEDHN Cc1ccc2nccc(N3CCC[C@@H](CC#N)C3)c2c1 ZINC000596327794 1127492951 /nfs/dbraw/zinc/49/29/51/1127492951.db2.gz CNSQSZGAZBAUOP-AWEZNQCLSA-N 0 3 265.360 3.673 20 30 CHEDHN C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000596649611 1127515008 /nfs/dbraw/zinc/51/50/08/1127515008.db2.gz DBEHSISVXYOKKF-ZMZPIMSZSA-N 0 3 295.361 3.618 20 30 CHEDHN N#CC1(c2ccc(CN3CC4(C3)CCCC4)cc2)CC1 ZINC000597129233 1127528947 /nfs/dbraw/zinc/52/89/47/1127528947.db2.gz CUYDHOLFOZICJK-UHFFFAOYSA-N 0 3 266.388 3.618 20 30 CHEDHN C[C@H](CCc1ccc(O)cc1)NCC1(C#N)CCCCC1 ZINC000597225655 1127536577 /nfs/dbraw/zinc/53/65/77/1127536577.db2.gz RYMQBPOEVZMQQX-OAHLLOKOSA-N 0 3 286.419 3.777 20 30 CHEDHN Cc1cccc(-c2n[nH]cc2CN2CCC[C@@H](CC#N)C2)c1 ZINC000597173525 1127531915 /nfs/dbraw/zinc/53/19/15/1127531915.db2.gz JRCXZSXOASGXSW-HNNXBMFYSA-N 0 3 294.402 3.511 20 30 CHEDHN N#CCC1CN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000597204247 1127534766 /nfs/dbraw/zinc/53/47/66/1127534766.db2.gz VQLDUUMBKKDECL-UHFFFAOYSA-N 0 3 296.336 3.874 20 30 CHEDHN C[C@@H](CCc1ccc(O)cc1)NCc1cccc(F)c1C#N ZINC000602003121 1127556254 /nfs/dbraw/zinc/55/62/54/1127556254.db2.gz REOXAGVFDLEBCD-ZDUSSCGKSA-N 0 3 298.361 3.514 20 30 CHEDHN CSCC1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602022655 1127556601 /nfs/dbraw/zinc/55/66/01/1127556601.db2.gz DUFKBONYWBHKSS-UHFFFAOYSA-N 0 3 292.423 3.709 20 30 CHEDHN CC[C@@H](c1ccccc1)N(CC)Cc1cccc(C#N)n1 ZINC000602444481 1127579861 /nfs/dbraw/zinc/57/98/61/1127579861.db2.gz NTWQZPKRGWCJCD-SFHVURJKSA-N 0 3 279.387 3.926 20 30 CHEDHN C[C@@H](CCC#N)CN(C)Cc1ccc(F)cc1Cl ZINC000602472338 1127582683 /nfs/dbraw/zinc/58/26/83/1127582683.db2.gz FHJFCHZNWATGFF-NSHDSACASA-N 0 3 268.763 3.851 20 30 CHEDHN CC(C)COC[C@@H](NC1CCC(C#N)CC1)c1ccco1 ZINC000602534732 1127592217 /nfs/dbraw/zinc/59/22/17/1127592217.db2.gz QCRZEKQMUMMCFP-UYSNPLJNSA-N 0 3 290.407 3.665 20 30 CHEDHN N#CC1CCC(NCc2csc(-c3ccco3)n2)CC1 ZINC000602574804 1127596305 /nfs/dbraw/zinc/59/63/05/1127596305.db2.gz ZXPOOVJAKDVLSY-UHFFFAOYSA-N 0 3 287.388 3.575 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000602610331 1127599108 /nfs/dbraw/zinc/59/91/08/1127599108.db2.gz ZKCYGJFFOHSUQR-UHFFFAOYSA-N 0 3 296.336 3.917 20 30 CHEDHN C[C@H](NCC1(C#N)CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000602697593 1127605129 /nfs/dbraw/zinc/60/51/29/1127605129.db2.gz BYCBXUBCXNSJEZ-XIRDDKMYSA-N 0 3 268.404 3.852 20 30 CHEDHN COc1ccc([C@H]2CCCN2CC2(CC#N)CC2)cc1 ZINC000602761208 1127611517 /nfs/dbraw/zinc/61/15/17/1127611517.db2.gz VLZLUABPFITGMP-MRXNPFEDSA-N 0 3 270.376 3.526 20 30 CHEDHN Cc1nc(-c2ccccc2)oc1CN1CCC(CC#N)CC1 ZINC000602804908 1127615472 /nfs/dbraw/zinc/61/54/72/1127615472.db2.gz IFFCRBOKCROFJY-UHFFFAOYSA-N 0 3 295.386 3.776 20 30 CHEDHN COc1ccccc1[C@H]1CCCN1CC1(CC#N)CC1 ZINC000602772829 1127613035 /nfs/dbraw/zinc/61/30/35/1127613035.db2.gz KZEPEZCSAKXRMD-OAHLLOKOSA-N 0 3 270.376 3.526 20 30 CHEDHN CN(CC1CCC(C(F)(F)F)CC1)[C@H]1CCC[C@H]1C#N ZINC000602979469 1127623537 /nfs/dbraw/zinc/62/35/37/1127623537.db2.gz DQGUYNDLUWVCTO-YIOUJQMASA-N 0 3 288.357 3.979 20 30 CHEDHN C[C@@H](c1ccccc1Cl)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598586087 1127626740 /nfs/dbraw/zinc/62/67/40/1127626740.db2.gz OFLDXKRPGMYCRL-STQMWFEESA-N 0 3 294.826 3.634 20 30 CHEDHN CC(C)(CC#N)CNCc1ccsc1C(F)(F)F ZINC000598981250 1127649185 /nfs/dbraw/zinc/64/91/85/1127649185.db2.gz MBBOJVXHDPHCEU-UHFFFAOYSA-N 0 3 276.327 3.796 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599057503 1127653717 /nfs/dbraw/zinc/65/37/17/1127653717.db2.gz FNWFNCMAXZVDPX-FRRDWIJNSA-N 0 3 278.346 3.842 20 30 CHEDHN C#Cc1ccc(CN[C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000295904609 1127657281 /nfs/dbraw/zinc/65/72/81/1127657281.db2.gz CVKJFLDDADUSCA-QGZVFWFLSA-N 0 3 299.439 3.579 20 30 CHEDHN Cc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1C#N ZINC000599386814 1127670961 /nfs/dbraw/zinc/67/09/61/1127670961.db2.gz ZHVOIMLLTICABV-ZDUSSCGKSA-N 0 3 282.309 3.641 20 30 CHEDHN Cc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)cc1C#N ZINC000599469277 1127673046 /nfs/dbraw/zinc/67/30/46/1127673046.db2.gz UNLBXVOTJRDVDM-IBGZPJMESA-N 0 3 298.430 3.648 20 30 CHEDHN N#Cc1cccc(C2([NH2+][C@H]3CCc4cccc([O-])c43)CC2)c1 ZINC000296833126 1127684261 /nfs/dbraw/zinc/68/42/61/1127684261.db2.gz MPIJKNNWOSBQFT-INIZCTEOSA-N 0 3 290.366 3.530 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1cccnc1 ZINC000297955852 1127712783 /nfs/dbraw/zinc/71/27/83/1127712783.db2.gz TZGADZPKFJFPLS-HNNXBMFYSA-N 0 3 279.387 3.926 20 30 CHEDHN C=CCN1CCC(NC(=O)C[C@@H](C)CCCCCC)CC1 ZINC000171715319 1127725100 /nfs/dbraw/zinc/72/51/00/1127725100.db2.gz FBOBXYNOVGAPIP-INIZCTEOSA-N 0 3 294.483 3.750 20 30 CHEDHN C=CCCCN1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000605150647 1127730654 /nfs/dbraw/zinc/73/06/54/1127730654.db2.gz JZIWRCJRHXUEOR-CQSZACIVSA-N 0 3 294.389 3.610 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC1CC1 ZINC000409446039 1127769603 /nfs/dbraw/zinc/76/96/03/1127769603.db2.gz WQBAPIRTQJAUBG-IAGOWNOFSA-N 0 3 254.377 3.558 20 30 CHEDHN C=CCN(CC1CCCCC1)[C@H](C)c1cnc(C)cn1 ZINC000411253872 1127850608 /nfs/dbraw/zinc/85/06/08/1127850608.db2.gz DYLPOAURSGGFNX-OAHLLOKOSA-N 0 3 273.424 3.914 20 30 CHEDHN C=CC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411259518 1127850656 /nfs/dbraw/zinc/85/06/56/1127850656.db2.gz WTKNFRHXZQHNKK-UHFFFAOYSA-N 0 3 286.350 3.879 20 30 CHEDHN C[C@@H](CCC#N)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000411700666 1127870774 /nfs/dbraw/zinc/87/07/74/1127870774.db2.gz WVLYBNXJEWMYMW-NWDGAFQWSA-N 0 3 274.330 3.733 20 30 CHEDHN CC[C@H]1CN(CC2(C#N)CC2)CC[C@@H]1c1ccccc1 ZINC000539451290 1127923409 /nfs/dbraw/zinc/92/34/09/1127923409.db2.gz LCMPSEXLYOTWPP-RDJZCZTQSA-N 0 3 268.404 3.806 20 30 CHEDHN C=CCCCN(C)Cc1cccc(OC(C)(C)C)n1 ZINC000508853836 1127928063 /nfs/dbraw/zinc/92/80/63/1127928063.db2.gz BTCWIILLSULKLS-UHFFFAOYSA-N 0 3 262.397 3.657 20 30 CHEDHN Cc1ccc([C@H]2CCC[C@H]2N(C)CC2(C#N)CC2)cc1 ZINC000540552146 1127984411 /nfs/dbraw/zinc/98/44/11/1127984411.db2.gz BYFGQNJDZUSRLF-IAGOWNOFSA-N 0 3 268.404 3.867 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000467995886 1127986499 /nfs/dbraw/zinc/98/64/99/1127986499.db2.gz VXDZTANSLJBTEQ-CQSZACIVSA-N 0 3 274.408 3.597 20 30 CHEDHN CC(C)Oc1cccc(CN(C)CCC(C)(C)C#N)c1 ZINC000540667025 1127990215 /nfs/dbraw/zinc/99/02/15/1127990215.db2.gz QRLCVRDPWTWXHJ-UHFFFAOYSA-N 0 3 274.408 3.845 20 30 CHEDHN CCCCCCCN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC001168439299 1128041907 /nfs/dbraw/zinc/04/19/07/1128041907.db2.gz UJDHWLJWKWENRN-UHFFFAOYSA-N 0 3 296.499 3.926 20 30 CHEDHN C=CCN(Cc1ccc(C(=O)OC)o1)CC1CCCCC1 ZINC000303440431 1128068348 /nfs/dbraw/zinc/06/83/48/1128068348.db2.gz HLIDGBIVJFGJKB-UHFFFAOYSA-N 0 3 291.391 3.635 20 30 CHEDHN C=CCOCCCN(C)[C@@H](C)c1ccccc1Cl ZINC000470720107 1128075401 /nfs/dbraw/zinc/07/54/01/1128075401.db2.gz PFECEVIEYDTORY-ZDUSSCGKSA-N 0 3 267.800 3.926 20 30 CHEDHN C[C@@H](NC1(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000271934981 1128082354 /nfs/dbraw/zinc/08/23/54/1128082354.db2.gz ABCYVSKDSJLNMV-CQSZACIVSA-N 0 3 262.356 3.898 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc(F)cc1F ZINC000924544937 1128103789 /nfs/dbraw/zinc/10/37/89/1128103789.db2.gz LJWYDYSKPXCZRH-GHMZBOCLSA-N 0 3 266.335 3.944 20 30 CHEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)CC(C)(C)C#N)c1 ZINC000924597948 1128107293 /nfs/dbraw/zinc/10/72/93/1128107293.db2.gz CKVZDAFNSCDTCG-STQMWFEESA-N 0 3 287.407 3.624 20 30 CHEDHN CCc1ccccc1CNCc1ccc(C#N)c(C)c1 ZINC000444001470 1128112272 /nfs/dbraw/zinc/11/22/72/1128112272.db2.gz KSWYABCBBLGGAU-UHFFFAOYSA-N 0 3 264.372 3.719 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccncc1 ZINC000443998749 1128112645 /nfs/dbraw/zinc/11/26/45/1128112645.db2.gz RKCRXRANFNWBRE-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN C#CCCCCN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000925526830 1128130962 /nfs/dbraw/zinc/13/09/62/1128130962.db2.gz MFUFAHJDUOUMEA-IBGZPJMESA-N 0 3 278.399 3.873 20 30 CHEDHN COc1cccc(C2(N[C@@H](C)CC(C)(C)C#N)CC2)c1 ZINC000925897552 1128146146 /nfs/dbraw/zinc/14/61/46/1128146146.db2.gz PQHXYCARYIHBOO-ZDUSSCGKSA-N 0 3 272.392 3.602 20 30 CHEDHN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1ccc(C#N)cn1 ZINC000926227643 1128161616 /nfs/dbraw/zinc/16/16/16/1128161616.db2.gz GCUGLFOIHZRELB-CXAGYDPISA-N 0 3 269.392 3.568 20 30 CHEDHN C=CC(C)(C)CCCN[C@H]1CCCc2oc(C)nc21 ZINC000926824788 1128197117 /nfs/dbraw/zinc/19/71/17/1128197117.db2.gz ZAMGAUNPRCJSMU-ZDUSSCGKSA-N 0 3 262.397 3.942 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1coc2ccccc12 ZINC000926347526 1128168664 /nfs/dbraw/zinc/16/86/64/1128168664.db2.gz ZKYJFSLFLXPEEP-LBPRGKRZSA-N 0 3 254.333 3.777 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1coc2ccccc12 ZINC000926347524 1128168769 /nfs/dbraw/zinc/16/87/69/1128168769.db2.gz ZKYJFSLFLXPEEP-GFCCVEGCSA-N 0 3 254.333 3.777 20 30 CHEDHN Cc1cscc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000494471618 1128175181 /nfs/dbraw/zinc/17/51/81/1128175181.db2.gz MHFHQTIQLDMEFW-LLVKDONJSA-N 0 3 274.364 3.918 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926530681 1128179153 /nfs/dbraw/zinc/17/91/53/1128179153.db2.gz JJCIKWYSHUSJFH-LXZKKBNFSA-N 0 3 298.386 3.726 20 30 CHEDHN C=C(CC)CN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926549258 1128179793 /nfs/dbraw/zinc/17/97/93/1128179793.db2.gz GRGGELHRRIERFW-CYBMUJFWSA-N 0 3 250.773 3.668 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1cnccc1C(C)(C)C ZINC000926580916 1128181832 /nfs/dbraw/zinc/18/18/32/1128181832.db2.gz ALSMLZKJQYDQNP-CYBMUJFWSA-N 0 3 273.424 3.797 20 30 CHEDHN C=CCC[C@H](Nc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000777610448 1128204575 /nfs/dbraw/zinc/20/45/75/1128204575.db2.gz LCZOJRUOEIMECY-IBGZPJMESA-N 0 3 299.462 3.595 20 30 CHEDHN N#Cc1cncc(CNC2(c3ccc(F)cc3)CCCC2)c1 ZINC000929965194 1128295828 /nfs/dbraw/zinc/29/58/28/1128295828.db2.gz ZHKDIKRGPRDTBO-UHFFFAOYSA-N 0 3 295.361 3.651 20 30 CHEDHN CC(F)(F)CCCN1CCc2c(CC#N)cccc2C1 ZINC000931332560 1128357028 /nfs/dbraw/zinc/35/70/28/1128357028.db2.gz IIYDRDWIAVOORB-UHFFFAOYSA-N 0 3 278.346 3.546 20 30 CHEDHN CCOCc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000193891633 1128358209 /nfs/dbraw/zinc/35/82/09/1128358209.db2.gz WPBVJATUISWNPI-OAHLLOKOSA-N 0 3 294.398 3.946 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3c1cccc3F)CC2 ZINC000562080333 1128377637 /nfs/dbraw/zinc/37/76/37/1128377637.db2.gz ACYSUTXZRGGDIH-MOPGFXCFSA-N 0 3 292.357 3.962 20 30 CHEDHN C[C@@H](CCC#N)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932619692 1128417427 /nfs/dbraw/zinc/41/74/27/1128417427.db2.gz RPMVEORHGQTGQK-LBPRGKRZSA-N 0 3 289.448 3.503 20 30 CHEDHN C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccncc1C#N ZINC000932274478 1128402049 /nfs/dbraw/zinc/40/20/49/1128402049.db2.gz HTIONDPHEFNCSG-HNAYVOBHSA-N 0 3 291.398 3.721 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1C ZINC000933485640 1128436390 /nfs/dbraw/zinc/43/63/90/1128436390.db2.gz FKGJZFNDKYRYLE-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN C[C@H](CCC#N)N1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933820378 1128444527 /nfs/dbraw/zinc/44/45/27/1128444527.db2.gz VCIDVLMBOILXRS-CQSZACIVSA-N 0 3 279.387 3.949 20 30 CHEDHN N#CC(C(=O)C=Cc1ccco1)c1ccc2ccccc2n1 ZINC000916849558 1128457176 /nfs/dbraw/zinc/45/71/76/1128457176.db2.gz UVCRACQWEURSPP-WKTRQSJXSA-N 0 3 288.306 3.717 20 30 CHEDHN Cc1cccc(C2=CCN(CCCC#N)CC2)c1C ZINC000934846606 1128470610 /nfs/dbraw/zinc/47/06/10/1128470610.db2.gz SXLYHMONWGWWFA-UHFFFAOYSA-N 0 3 254.377 3.696 20 30 CHEDHN C=CC[C@@H](C)NCc1cc(OC)ccc1Br ZINC000128156247 1128487818 /nfs/dbraw/zinc/48/78/18/1128487818.db2.gz WDEXYWRXGALCGW-SNVBAGLBSA-N 0 3 284.197 3.512 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000564529013 1128511368 /nfs/dbraw/zinc/51/13/68/1128511368.db2.gz MANBHSHXTJFGIY-ZDUSSCGKSA-N 0 3 294.320 3.809 20 30 CHEDHN N#Cc1ccccc1CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000556884124 1128634025 /nfs/dbraw/zinc/63/40/25/1128634025.db2.gz PRUYYGSBMMWTLN-KRWDZBQOSA-N 0 3 280.346 3.687 20 30 CHEDHN C#CCN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000157168620 1128649220 /nfs/dbraw/zinc/64/92/20/1128649220.db2.gz AXGCWUHVBCLJOD-LBPRGKRZSA-N 0 3 270.401 3.711 20 30 CHEDHN CCCNN=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000920941395 1128694540 /nfs/dbraw/zinc/69/45/40/1128694540.db2.gz AUJGVZNSZUERBO-UHFFFAOYSA-N 0 3 273.424 3.791 20 30 CHEDHN COc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000601265400 1128707329 /nfs/dbraw/zinc/70/73/29/1128707329.db2.gz PQTREWFECZXWNE-BFUOFWGJSA-N 0 3 292.382 3.905 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccsc2C(F)(F)F)C1 ZINC000601288414 1128708885 /nfs/dbraw/zinc/70/88/85/1128708885.db2.gz XKZILPDLMPDWSG-GXSJLCMTSA-N 0 3 288.338 3.939 20 30 CHEDHN C=CCN(CCc1ncc(C)cc1C)Cc1cccs1 ZINC000578863413 1128730582 /nfs/dbraw/zinc/73/05/82/1128730582.db2.gz SQFONPBNTVPUBK-UHFFFAOYSA-N 0 3 286.444 3.991 20 30 CHEDHN C=CCCCCCCCCCN1CCN(C(C)=O)[C@H](C)C1 ZINC001207900079 1117756058 /nfs/dbraw/zinc/75/60/58/1117756058.db2.gz SLTDHAQHMTXKEF-QGZVFWFLSA-N 0 3 294.483 3.846 20 30 CHEDHN CCCCCCCCCCN1CCC2(C1)OCCO2 ZINC000396488948 1117763446 /nfs/dbraw/zinc/76/34/46/1117763446.db2.gz BECAAAXUWDKELJ-UHFFFAOYSA-N 0 3 269.429 3.576 20 30 CHEDHN C[C@H](C#N)CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000579763694 1117780858 /nfs/dbraw/zinc/78/08/58/1117780858.db2.gz GWUKWBZQFBKCLF-GHMZBOCLSA-N 0 3 270.298 3.558 20 30 CHEDHN N#Cc1cc(CN2CC[C@H]3CCC[C@H]3C2)ccc1Cl ZINC001238188367 1117815762 /nfs/dbraw/zinc/81/57/62/1117815762.db2.gz BKDWBSREVZXIPH-KGLIPLIRSA-N 0 3 274.795 3.834 20 30 CHEDHN C[N@H+](Cc1ccc(Cl)c(C#N)c1)Cc1ccccc1[O-] ZINC001238198717 1117817973 /nfs/dbraw/zinc/81/79/73/1117817973.db2.gz MPGFNADFRNKSOT-UHFFFAOYSA-N 0 3 286.762 3.549 20 30 CHEDHN C[N@@H+](Cc1ccc(Cl)c(C#N)c1)Cc1ccccc1[O-] ZINC001238198717 1117817978 /nfs/dbraw/zinc/81/79/78/1117817978.db2.gz MPGFNADFRNKSOT-UHFFFAOYSA-N 0 3 286.762 3.549 20 30 CHEDHN CC(C)(CCC#N)CNCc1c(F)cc(F)cc1F ZINC000339524872 1117825511 /nfs/dbraw/zinc/82/55/11/1117825511.db2.gz WRENGHBDOFNUKT-UHFFFAOYSA-N 0 3 270.298 3.523 20 30 CHEDHN C=CC(C)(C)CCNCc1nccn1Cc1ccccc1 ZINC000623593041 1117876308 /nfs/dbraw/zinc/87/63/08/1117876308.db2.gz QMTISBXJGGTETK-UHFFFAOYSA-N 0 3 283.419 3.623 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1cc(C)ccc1OC(F)F ZINC000119322565 1117886106 /nfs/dbraw/zinc/88/61/06/1117886106.db2.gz BGPULHUDDREFHY-WDEREUQCSA-N 0 3 255.308 3.822 20 30 CHEDHN C[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000748083403 1117937255 /nfs/dbraw/zinc/93/72/55/1117937255.db2.gz NIILAZZAHOCZMG-HNNXBMFYSA-N 0 3 294.402 3.501 20 30 CHEDHN C=CCCCCCN(CC(=O)OCC)C1CCCC1 ZINC001209432841 1118054786 /nfs/dbraw/zinc/05/47/86/1118054786.db2.gz KRUGNAZMABJJKI-UHFFFAOYSA-N 0 3 267.413 3.541 20 30 CHEDHN C=CCCCCCCCN1CCCC(=O)[C@H](C)C1 ZINC001209438691 1118056686 /nfs/dbraw/zinc/05/66/86/1118056686.db2.gz SRNICZYVHCCDQG-OAHLLOKOSA-N 0 3 251.414 3.814 20 30 CHEDHN CCN(Cc1cccc(F)c1)Cc1ccc(OC)c(C#N)c1 ZINC000340157192 1118092172 /nfs/dbraw/zinc/09/21/72/1118092172.db2.gz CZCXVLHBBIREAC-UHFFFAOYSA-N 0 3 298.361 3.728 20 30 CHEDHN C=CCN(CCCCCO)Cc1ccc(Cl)s1 ZINC000060372783 1118124734 /nfs/dbraw/zinc/12/47/34/1118124734.db2.gz NAMVFFLJXJYTAJ-UHFFFAOYSA-N 0 3 273.829 3.552 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2ccc(F)cc2F)C2CC2)C1 ZINC001168541789 1118157438 /nfs/dbraw/zinc/15/74/38/1118157438.db2.gz LFZHMNAQNRIYSW-CKUKBARFSA-N 0 3 276.330 3.698 20 30 CHEDHN COc1ccc2c(c1)CCC[C@H]2NCc1csc(C#N)c1 ZINC000921619928 1118224646 /nfs/dbraw/zinc/22/46/46/1118224646.db2.gz DXNICYLTMLIFSP-QGZVFWFLSA-N 0 3 298.411 3.796 20 30 CHEDHN CCC#C[C@@H](C)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000671705933 1118277242 /nfs/dbraw/zinc/27/72/42/1118277242.db2.gz NBTHXDZJNDNXOD-UKRRQHHQSA-N 0 3 275.392 3.546 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cc(Cl)ccc1OC ZINC000090450957 1118283341 /nfs/dbraw/zinc/28/33/41/1118283341.db2.gz UUPSTEUNQKZAMQ-GFCCVEGCSA-N 0 3 283.799 3.592 20 30 CHEDHN C[C@]1(Cc2cccs2)CCCN1Cc1ccncc1C#N ZINC000932923512 1118478590 /nfs/dbraw/zinc/47/85/90/1118478590.db2.gz RBQPJMJHUGQYDO-QGZVFWFLSA-N 0 3 297.427 3.612 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000656457826 1118555747 /nfs/dbraw/zinc/55/57/47/1118555747.db2.gz RRACXTAQZJZHSN-DOTOQJQBSA-N 0 3 298.434 3.684 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000178046855 1118613486 /nfs/dbraw/zinc/61/34/86/1118613486.db2.gz LPIUKDRHYCYCBI-IBGZPJMESA-N 0 3 291.398 3.635 20 30 CHEDHN C[C@]1(NCc2ccc(CC#N)cc2)CCOc2ccccc21 ZINC000933375758 1118676814 /nfs/dbraw/zinc/67/68/14/1118676814.db2.gz UGQUYAOPALDHOK-IBGZPJMESA-N 0 3 292.382 3.540 20 30 CHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926190287 1118706733 /nfs/dbraw/zinc/70/67/33/1118706733.db2.gz QJGBVEJLZHLXIF-STQMWFEESA-N 0 3 290.455 3.926 20 30 CHEDHN N#Cc1ccc(CN2CCC23CCCCC3)c(F)c1 ZINC000707345868 1118715400 /nfs/dbraw/zinc/71/54/00/1118715400.db2.gz HMGLREAZCFEZOP-UHFFFAOYSA-N 0 3 258.340 3.606 20 30 CHEDHN C=CCOc1ccc(CN2CC(C)=C[C@H](C)C2)cc1OC ZINC000430862607 1118779575 /nfs/dbraw/zinc/77/95/75/1118779575.db2.gz FANCCCSKJRSHKV-AWEZNQCLSA-N 0 3 287.403 3.658 20 30 CHEDHN C=C(C)CN(C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000181256274 1118909384 /nfs/dbraw/zinc/90/93/84/1118909384.db2.gz MLDDPKUOLGAZCN-UHFFFAOYSA-N 0 3 294.398 3.947 20 30 CHEDHN CCC[C@@]1(C)CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000538726362 1118949447 /nfs/dbraw/zinc/94/94/47/1118949447.db2.gz MOOQFEZNZVCKSZ-SFHVURJKSA-N 0 3 296.418 3.608 20 30 CHEDHN C=C1CCC(CNCc2ncc(Cl)s2)CC1 ZINC000724485490 1119042792 /nfs/dbraw/zinc/04/27/92/1119042792.db2.gz AQJBVCVQMUMMMJ-UHFFFAOYSA-N 0 3 256.802 3.633 20 30 CHEDHN C=CCC[C@H](NCc1cnn2c1CCC2)c1ccccc1 ZINC000657412405 1119067824 /nfs/dbraw/zinc/06/78/24/1119067824.db2.gz FANMEPLGZNZURA-KRWDZBQOSA-N 0 3 281.403 3.626 20 30 CHEDHN C=CCC1(CNCc2nccn2C(C)C)CCCC1 ZINC000657485686 1119125798 /nfs/dbraw/zinc/12/57/98/1119125798.db2.gz LQRZYTZZVXGXDS-UHFFFAOYSA-N 0 3 261.413 3.690 20 30 CHEDHN C=CCCCN(C)Cc1cc(C)c(Br)cn1 ZINC000628180667 1128823798 /nfs/dbraw/zinc/82/37/98/1128823798.db2.gz YTTLNRUWQNSUQG-UHFFFAOYSA-N 0 3 283.213 3.551 20 30 CHEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccs1 ZINC000342733391 1119147674 /nfs/dbraw/zinc/14/76/74/1119147674.db2.gz UAFQRNRJIKLWNK-CQSZACIVSA-N 0 3 296.399 3.508 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CC2)s1 ZINC000135674149 1119208011 /nfs/dbraw/zinc/20/80/11/1119208011.db2.gz PAJRVNURDKDKMA-MRXNPFEDSA-N 0 3 268.385 3.861 20 30 CHEDHN C=CCOc1cccc(CN[C@@H]2CCc3ccc(O)cc32)c1 ZINC000657690833 1119248376 /nfs/dbraw/zinc/24/83/76/1119248376.db2.gz BEFGWOYXNVWQCY-LJQANCHMSA-N 0 3 295.382 3.734 20 30 CHEDHN CSCc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000353063468 1119255891 /nfs/dbraw/zinc/25/58/91/1119255891.db2.gz MQFPGMNOKGMPIW-UHFFFAOYSA-N 0 3 288.441 3.773 20 30 CHEDHN CSCc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000353099715 1119278505 /nfs/dbraw/zinc/27/85/05/1119278505.db2.gz KHQKAGNMJJJUPW-UHFFFAOYSA-N 0 3 288.441 3.773 20 30 CHEDHN CCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCCC1 ZINC000176764137 1119305670 /nfs/dbraw/zinc/30/56/70/1119305670.db2.gz JMAGXNKYSPQXPP-LBPRGKRZSA-N 0 3 282.343 3.974 20 30 CHEDHN C=CCC[C@H](CO)NCc1ccc(F)c(Cl)c1Cl ZINC000449701401 1119373516 /nfs/dbraw/zinc/37/35/16/1119373516.db2.gz WFMHUMSJNKDGEB-SNVBAGLBSA-N 0 3 292.181 3.549 20 30 CHEDHN N#CCCCN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157094538 1119380459 /nfs/dbraw/zinc/38/04/59/1119380459.db2.gz XZCRJIFILBWFHX-AWEZNQCLSA-N 0 3 292.810 3.735 20 30 CHEDHN C=CCCN(C)Cc1ccc(-c2ccncc2)cc1F ZINC000343439102 1119420435 /nfs/dbraw/zinc/42/04/35/1119420435.db2.gz GRIJLVCPDPNBKW-UHFFFAOYSA-N 0 3 270.351 3.896 20 30 CHEDHN CC(C)c1ccc(C[C@@H](C)NC[C@@H](C#N)CCC#N)cc1 ZINC000583867074 1119427477 /nfs/dbraw/zinc/42/74/77/1119427477.db2.gz RAATXCVJQOWUJZ-NVXWUHKLSA-N 0 3 283.419 3.774 20 30 CHEDHN C=CCCN(C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000343490812 1119433638 /nfs/dbraw/zinc/43/36/38/1119433638.db2.gz MHJFQPFBUXERPI-UHFFFAOYSA-N 0 3 287.382 3.636 20 30 CHEDHN C=CCCC(C)(C)NCc1nccn1Cc1ccccc1 ZINC000657805890 1119433762 /nfs/dbraw/zinc/43/37/62/1119433762.db2.gz WEIZOKXSUNRNMW-UHFFFAOYSA-N 0 3 283.419 3.766 20 30 CHEDHN Cn1cccc1[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000343609872 1119471107 /nfs/dbraw/zinc/47/11/07/1119471107.db2.gz MJJVPXGOHKQAJB-IBGZPJMESA-N 0 3 293.414 3.818 20 30 CHEDHN C=CCC[C@H](NCc1cnn(CC)c1)c1ccccc1 ZINC000158826169 1119471866 /nfs/dbraw/zinc/47/18/66/1119471866.db2.gz WDYNGUOXXHAOMI-KRWDZBQOSA-N 0 3 269.392 3.700 20 30 CHEDHN CCc1cnccc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000343674259 1119485080 /nfs/dbraw/zinc/48/50/80/1119485080.db2.gz ALVGXYYCWZLLFC-CQSZACIVSA-N 0 3 279.387 3.561 20 30 CHEDHN CC(C)N(Cc1ccc(CC#N)cc1)Cc1cccnc1 ZINC000343717924 1119493567 /nfs/dbraw/zinc/49/35/67/1119493567.db2.gz SPCYVMQFKJTSOC-UHFFFAOYSA-N 0 3 279.387 3.558 20 30 CHEDHN CCS[C@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC000179095233 1119547871 /nfs/dbraw/zinc/54/78/71/1119547871.db2.gz HCKRUBZJZXKFAI-CVEARBPZSA-N 0 3 274.433 3.712 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000628405631 1128856674 /nfs/dbraw/zinc/85/66/74/1128856674.db2.gz QFTXMXUXKQIMDZ-GFCCVEGCSA-N 0 3 295.810 3.755 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cn(C(C)C)nn1 ZINC000926590661 1119614574 /nfs/dbraw/zinc/61/45/74/1119614574.db2.gz DSARWDRMWRTHPK-WBVHZDCISA-N 0 3 298.434 3.697 20 30 CHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000658334986 1119725570 /nfs/dbraw/zinc/72/55/70/1119725570.db2.gz GZUJHOHLQGEHLS-BXUZGUMPSA-N 0 3 291.391 3.752 20 30 CHEDHN N#CC(C(=O)CC[C@@H]1CCc2ccccc21)c1ccccn1 ZINC000892483023 1119771990 /nfs/dbraw/zinc/77/19/90/1119771990.db2.gz JFXVESIMGBAGQQ-DOTOQJQBSA-N 0 3 290.366 3.768 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000065959493 1119796510 /nfs/dbraw/zinc/79/65/10/1119796510.db2.gz YFUVDNQAGWTSBO-UHFFFAOYSA-N 0 3 296.370 3.826 20 30 CHEDHN N#Cc1c(F)cc(CN2CCC[C@H]3CCCC[C@H]32)cc1F ZINC001140754949 1119810906 /nfs/dbraw/zinc/81/09/06/1119810906.db2.gz PVMCJJUUDTYJAC-CXAGYDPISA-N 0 3 290.357 3.991 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000414166368 1119923551 /nfs/dbraw/zinc/92/35/51/1119923551.db2.gz NMFBHEKOZRIMHC-CQSZACIVSA-N 0 3 276.355 3.569 20 30 CHEDHN CC[C@H](N[C@@H](c1ccccc1)[C@@H](C)O)c1cccc(C#N)c1 ZINC000903058359 1120067068 /nfs/dbraw/zinc/06/70/68/1120067068.db2.gz GFWYEVWSILPTSL-MDASCCDHSA-N 0 3 294.398 3.721 20 30 CHEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000154350416 1120146520 /nfs/dbraw/zinc/14/65/20/1120146520.db2.gz GIHXHYDCPVGUGW-PXAZEXFGSA-N 0 3 296.418 3.711 20 30 CHEDHN COc1ccc2oc(CN3CCC(CC#N)CC3)cc2c1 ZINC000542853484 1120180987 /nfs/dbraw/zinc/18/09/87/1120180987.db2.gz HVAYQADERNIFAO-UHFFFAOYSA-N 0 3 284.359 3.567 20 30 CHEDHN C=CC[C@H](NCc1ccc(OC)cc1C)c1ccncc1 ZINC000921748795 1120196347 /nfs/dbraw/zinc/19/63/47/1120196347.db2.gz ZIWBDKGSKGFDAH-SFHVURJKSA-N 0 3 282.387 3.806 20 30 CHEDHN CCc1ccc(CN(C)Cc2cccc(C#N)c2)s1 ZINC000061948109 1120233160 /nfs/dbraw/zinc/23/31/60/1120233160.db2.gz QYAJDVQRSMKFRW-UHFFFAOYSA-N 0 3 270.401 3.814 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000181591263 1120300325 /nfs/dbraw/zinc/30/03/25/1120300325.db2.gz USSFNCCFWZZLMT-LBPRGKRZSA-N 0 3 276.355 3.569 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1csc(Cl)c1 ZINC000309577188 1120329244 /nfs/dbraw/zinc/32/92/44/1120329244.db2.gz PHPVHPKNBOFNQD-VIFPVBQESA-N 0 3 254.786 3.746 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000543474265 1120530580 /nfs/dbraw/zinc/53/05/80/1120530580.db2.gz OVJVSSSWQVHLET-ZDUSSCGKSA-N 0 3 287.382 3.937 20 30 CHEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000154350219 1120544539 /nfs/dbraw/zinc/54/45/39/1120544539.db2.gz GIHXHYDCPVGUGW-SJCJKPOMSA-N 0 3 296.418 3.711 20 30 CHEDHN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cccc(C#N)c1 ZINC000276243068 1120552182 /nfs/dbraw/zinc/55/21/82/1120552182.db2.gz MGOASLNAWHGQMA-ZDUSSCGKSA-N 0 3 282.309 3.721 20 30 CHEDHN CC(C)(/C=C/Cl)NCc1ccc(C2(C#N)CC2)cc1 ZINC000922645221 1120570702 /nfs/dbraw/zinc/57/07/02/1120570702.db2.gz ORJJKADWBZSNEI-MDZDMXLPSA-N 0 3 274.795 3.862 20 30 CHEDHN Cc1ccc(CNCc2ccc(OC(C)C)cc2)cc1C#N ZINC000922758637 1120593671 /nfs/dbraw/zinc/59/36/71/1120593671.db2.gz FNNFMRQSOZCAGK-UHFFFAOYSA-N 0 3 294.398 3.944 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000925693517 1120604316 /nfs/dbraw/zinc/60/43/16/1120604316.db2.gz PBHVNUZVHXJLJV-RYUDHWBXSA-N 0 3 275.352 3.574 20 30 CHEDHN COc1cc(CNC(C)(C)c2ccccc2)ccc1C#N ZINC000281795174 1120625600 /nfs/dbraw/zinc/62/56/00/1120625600.db2.gz UWFLMIZOUPSBJM-UHFFFAOYSA-N 0 3 280.371 3.592 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc2nsnc21 ZINC000766013755 1120642984 /nfs/dbraw/zinc/64/29/84/1120642984.db2.gz XUGWBVBEPIOPHV-UHFFFAOYSA-N 0 3 295.411 3.880 20 30 CHEDHN C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162907937 1120695753 /nfs/dbraw/zinc/69/57/53/1120695753.db2.gz YYXKXKJGYSAPOM-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC000162914611 1120696755 /nfs/dbraw/zinc/69/67/55/1120696755.db2.gz XWXSNPHPHBKFAR-CJNGLKHVSA-N 0 3 274.795 3.976 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2ncc(CC)s2)C1 ZINC000651726770 1120727831 /nfs/dbraw/zinc/72/78/31/1120727831.db2.gz ZCHMXKYIHUHNTJ-NEPJUHHUSA-N 0 3 250.411 3.540 20 30 CHEDHN COc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802445 1128938164 /nfs/dbraw/zinc/93/81/64/1128938164.db2.gz KMOOJVNFRSABHP-BFUOFWGJSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2cncn2Cc2ccccc2)C1 ZINC000661386862 1120761209 /nfs/dbraw/zinc/76/12/09/1120761209.db2.gz VNEWRSQFZRDMRH-KRWDZBQOSA-N 0 3 295.430 3.720 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cncn1Cc1ccccc1 ZINC000662090303 1120873293 /nfs/dbraw/zinc/87/32/93/1120873293.db2.gz MDDHBFRMRGRTOQ-HDICACEKSA-N 0 3 293.414 3.614 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1 ZINC000893545938 1120893262 /nfs/dbraw/zinc/89/32/62/1120893262.db2.gz YDYGUZRYPGTKJW-IFUGULHKSA-N 0 3 296.336 3.879 20 30 CHEDHN C[C@@H](CCC#N)CN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000618887221 1128948297 /nfs/dbraw/zinc/94/82/97/1128948297.db2.gz MHANKASQMQVERH-WMLDXEAASA-N 0 3 296.418 3.650 20 30 CHEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)Cc2ccccc2O1 ZINC000429180063 1121020550 /nfs/dbraw/zinc/02/05/50/1121020550.db2.gz XGMNHCJTRHUNLL-OAHLLOKOSA-N 0 3 286.419 3.990 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000585726110 1121022207 /nfs/dbraw/zinc/02/22/07/1121022207.db2.gz UNJCRILAGXJUQR-ORAYPTAESA-N 0 3 292.382 3.992 20 30 CHEDHN Cc1cc(CNCc2ccc(C)c(C#N)c2)cs1 ZINC000701823230 1121170123 /nfs/dbraw/zinc/17/01/23/1121170123.db2.gz MPHUPYREKCYGAS-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc(OCC)cn1 ZINC000674864903 1121188638 /nfs/dbraw/zinc/18/86/38/1121188638.db2.gz LJBJDLLXNKFULW-UHFFFAOYSA-N 0 3 262.397 3.659 20 30 CHEDHN C#C[C@H](C)NC/C(C)=C\c1ccccc1C(F)(F)F ZINC000809683552 1121189552 /nfs/dbraw/zinc/18/95/52/1121189552.db2.gz FDYAVMANANLQDI-MMRAYRKESA-N 0 3 267.294 3.720 20 30 CHEDHN N#Cc1ccccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506443 1121353823 /nfs/dbraw/zinc/35/38/23/1121353823.db2.gz ZZTYERMNMKLANH-UHFFFAOYSA-N 0 3 289.382 3.760 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1OCC ZINC000675933717 1121389434 /nfs/dbraw/zinc/38/94/34/1121389434.db2.gz NSRZQTGEAWOOQM-MNOVXSKESA-N 0 3 253.773 3.964 20 30 CHEDHN N#Cc1cc(F)cc(Nc2ccnc(C3CC3)c2)c1 ZINC001175682495 1121430271 /nfs/dbraw/zinc/43/02/71/1121430271.db2.gz NOBQCYKOKSHGPP-UHFFFAOYSA-N 0 3 253.280 3.713 20 30 CHEDHN CSC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000429290158 1121510715 /nfs/dbraw/zinc/51/07/15/1121510715.db2.gz RHZBWIWPDCFBGH-OAHLLOKOSA-N 0 3 293.863 3.767 20 30 CHEDHN C=CCN(CCC(=C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000509295325 1121518151 /nfs/dbraw/zinc/51/81/51/1121518151.db2.gz GTHFUWHCYXOPRS-UHFFFAOYSA-N 0 3 260.337 3.549 20 30 CHEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2ccsc2)c1 ZINC000051853147 1121576520 /nfs/dbraw/zinc/57/65/20/1121576520.db2.gz JVDOWUMDGCPOAY-KRWDZBQOSA-N 0 3 298.411 3.836 20 30 CHEDHN C#CCCOc1ccc(CNCc2ccccc2CC)cc1 ZINC000237006582 1121599320 /nfs/dbraw/zinc/59/93/20/1121599320.db2.gz RJYWMYWIBZMNSU-UHFFFAOYSA-N 0 3 293.410 3.941 20 30 CHEDHN C=CC[N@@H+](Cc1occc1[S-])C1CCCCC1 ZINC001237180735 1128997085 /nfs/dbraw/zinc/99/70/85/1128997085.db2.gz BGLJOOCSNOKHQV-UHFFFAOYSA-N 0 3 251.395 3.889 20 30 CHEDHN C=CC[N@H+](Cc1occc1[S-])C1CCCCC1 ZINC001237180735 1128997088 /nfs/dbraw/zinc/99/70/88/1128997088.db2.gz BGLJOOCSNOKHQV-UHFFFAOYSA-N 0 3 251.395 3.889 20 30 CHEDHN Cc1cc([C@H](NCc2ccnc(C#N)c2)C2CC2)ccc1F ZINC000611434650 1121647322 /nfs/dbraw/zinc/64/73/22/1121647322.db2.gz CJDQEXRHOXTSIU-GOSISDBHSA-N 0 3 295.361 3.642 20 30 CHEDHN COCCN(CCC(C)(C)C#N)Cc1ccc(C)cc1C ZINC000611462476 1121648708 /nfs/dbraw/zinc/64/87/08/1121648708.db2.gz GNJYKPOQJQEKKY-UHFFFAOYSA-N 0 3 288.435 3.692 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428744078 1121658193 /nfs/dbraw/zinc/65/81/93/1121658193.db2.gz LXNMIAMYNNYUFB-BYCMXARLSA-N 0 3 276.330 3.596 20 30 CHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1 ZINC000619673639 1129003661 /nfs/dbraw/zinc/00/36/61/1129003661.db2.gz NZCPQMMRVLNXJP-SGTLLEGYSA-N 0 3 278.355 3.602 20 30 CHEDHN Cc1cccc(OCCN(C)Cc2ccc(C#N)cc2C)c1 ZINC000614395960 1121706053 /nfs/dbraw/zinc/70/60/53/1121706053.db2.gz FIOAPZZOBUMXBH-UHFFFAOYSA-N 0 3 294.398 3.686 20 30 CHEDHN C#CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000773709993 1121754294 /nfs/dbraw/zinc/75/42/94/1121754294.db2.gz HEINJFSVCSGCCH-UHFFFAOYSA-N 0 3 267.294 3.518 20 30 CHEDHN C=C(C)COCCNCc1cc(C(C)(C)C)oc1C ZINC001178147610 1121768201 /nfs/dbraw/zinc/76/82/01/1121768201.db2.gz FGFGHSJWRMMLLY-UHFFFAOYSA-N 0 3 265.397 3.568 20 30 CHEDHN CS[C@H](C)CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000773760702 1121806041 /nfs/dbraw/zinc/80/60/41/1121806041.db2.gz KGHHZGOTSYRAKS-GHMZBOCLSA-N 0 3 288.372 3.536 20 30 CHEDHN C=CC(C)(C)CNCc1c(F)cccc1OCC ZINC001178736400 1121809989 /nfs/dbraw/zinc/80/99/89/1121809989.db2.gz CJZFGPKHVXYDDY-UHFFFAOYSA-N 0 3 251.345 3.526 20 30 CHEDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC1(C#N)CCC1 ZINC001119605843 1121817972 /nfs/dbraw/zinc/81/79/72/1121817972.db2.gz BFGJRQMBZKXSGZ-OLZOCXBDSA-N 0 3 270.376 3.532 20 30 CHEDHN COC[C@@H](NCC(C)(C)CC#N)c1cccc(Cl)c1 ZINC000414169376 1121834232 /nfs/dbraw/zinc/83/42/32/1121834232.db2.gz RQWHWMQDGDSHCF-CQSZACIVSA-N 0 3 280.799 3.557 20 30 CHEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)Cc2ccccc21 ZINC000731210210 1121855622 /nfs/dbraw/zinc/85/56/22/1121855622.db2.gz DFPGYPWKIOBEHZ-HNNXBMFYSA-N 0 3 292.382 3.708 20 30 CHEDHN C(#Cc1ccccc1)CN1CCC[C@@H](Cc2ccccc2)C1 ZINC001180006709 1121936949 /nfs/dbraw/zinc/93/69/49/1121936949.db2.gz JXXCIZLKKPSYQC-NRFANRHFSA-N 0 3 289.422 3.993 20 30 CHEDHN CCCN(Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000501272369 1121966642 /nfs/dbraw/zinc/96/66/42/1121966642.db2.gz STYUFQGNWWBLQU-UHFFFAOYSA-N 0 3 294.398 3.979 20 30 CHEDHN CCc1ncc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000414454055 1122006433 /nfs/dbraw/zinc/00/64/33/1122006433.db2.gz QCVWJWODTLOXDM-QGZVFWFLSA-N 0 3 294.402 3.564 20 30 CHEDHN C=CCC[C@H](CC)N[C@H]1COc2cc(F)cc(F)c21 ZINC001180821166 1122016670 /nfs/dbraw/zinc/01/66/70/1122016670.db2.gz WPMWBDKVJWLVKG-AAEUAGOBSA-N 0 3 267.319 3.733 20 30 CHEDHN CCCCCCC[C@H](C)C(=O)N[C@]1(C)CCCN(C)C1 ZINC001181133688 1122038970 /nfs/dbraw/zinc/03/89/70/1122038970.db2.gz XULMPDPVJCCJQK-DOTOQJQBSA-N 0 3 282.472 3.584 20 30 CHEDHN C#C[C@@H](NCc1cc2cccc(CC)c2o1)C(C)C ZINC001181576182 1122064232 /nfs/dbraw/zinc/06/42/32/1122064232.db2.gz KPWJAYRKXNQIKU-MRXNPFEDSA-N 0 3 255.361 3.743 20 30 CHEDHN CC1=CCC[C@@H](C)[C@@H]1CN1Cc2ccc(C#N)cc2C1 ZINC001206457847 1122072206 /nfs/dbraw/zinc/07/22/06/1122072206.db2.gz XYRKFKORDOSXRW-RDTXWAMCSA-N 0 3 266.388 3.866 20 30 CHEDHN CC(C)N(Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccsc1 ZINC000421372790 1122104179 /nfs/dbraw/zinc/10/41/79/1122104179.db2.gz MRDQBEVHZRZBBZ-ZDUSSCGKSA-N 0 3 287.432 3.930 20 30 CHEDHN C=C(C)CNC(=O)[C@@H](c1ccccc1)N(CC)CCCC ZINC001182237969 1122125451 /nfs/dbraw/zinc/12/54/51/1122125451.db2.gz YTWCHUWAODEZOQ-QGZVFWFLSA-N 0 3 288.435 3.542 20 30 CHEDHN Cc1cccc(CNN=C2CCCNc3ccccc32)c1 ZINC000774388914 1122163830 /nfs/dbraw/zinc/16/38/30/1122163830.db2.gz AMWFTDJGFGJYIX-UHFFFAOYSA-N 0 3 279.387 3.695 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CC(Cc2cccs2)C1 ZINC001183196962 1122210732 /nfs/dbraw/zinc/21/07/32/1122210732.db2.gz LGUKBVWCTJEPRZ-UHFFFAOYSA-N 0 3 296.439 3.911 20 30 CHEDHN C=CC(C)(C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001184240422 1122264657 /nfs/dbraw/zinc/26/46/57/1122264657.db2.gz XKCQGZBZNVQCKE-UHFFFAOYSA-N 0 3 284.197 3.517 20 30 CHEDHN C#CCN[C@@H](C)c1ccc(OCCCCC)c(OC)c1 ZINC000775112351 1122426041 /nfs/dbraw/zinc/42/60/41/1122426041.db2.gz KDROFPYEJZFQQU-AWEZNQCLSA-N 0 3 275.392 3.548 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000435734214 1122486129 /nfs/dbraw/zinc/48/61/29/1122486129.db2.gz WMPHKSKPAHSQMN-JCNLHEQBSA-N 0 3 298.336 3.872 20 30 CHEDHN N#CCCCN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425506455 1122532165 /nfs/dbraw/zinc/53/21/65/1122532165.db2.gz LJWDVFGPWHGHBV-UHFFFAOYSA-N 0 3 289.448 3.505 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(OCc2cccnc2)cc1 ZINC000505868821 1122574159 /nfs/dbraw/zinc/57/41/59/1122574159.db2.gz RPBSXPLPQOENDF-UHFFFAOYSA-N 0 3 294.398 3.835 20 30 CHEDHN C#C[C@H](N[C@@H](C)c1cccc2ccccc21)[C@@H]1CCCO1 ZINC000775571567 1122677824 /nfs/dbraw/zinc/67/78/24/1122677824.db2.gz IKLFGRADKPQQRB-JVPBZIDWSA-N 0 3 279.383 3.671 20 30 CHEDHN N#Cc1ccnc(CN2CCCC3(CCCCC3)CC2)c1 ZINC001193437587 1122689149 /nfs/dbraw/zinc/68/91/49/1122689149.db2.gz GAEFJSYNUPRFSC-UHFFFAOYSA-N 0 3 283.419 3.890 20 30 CHEDHN C[C@@H](NCc1ccccc1CF)c1ccc(C#N)cc1 ZINC001194292046 1122766451 /nfs/dbraw/zinc/76/64/51/1122766451.db2.gz UBOKCSXQTBPGDN-CYBMUJFWSA-N 0 3 268.335 3.879 20 30 CHEDHN CN(Cc1cc(C#N)cs1)Cc1cccc2[nH]ccc21 ZINC000426372563 1122775631 /nfs/dbraw/zinc/77/56/31/1122775631.db2.gz ONJVIENNRWCNAI-UHFFFAOYSA-N 0 3 281.384 3.733 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCCCCC1 ZINC000102115677 1122883118 /nfs/dbraw/zinc/88/31/18/1122883118.db2.gz FQEXHKQBKIUJHE-CQSZACIVSA-N 0 3 295.386 3.720 20 30 CHEDHN C=C(C)CN1CCc2c(ccc(OC)c2OC)[C@H]1CC ZINC001195788742 1122889503 /nfs/dbraw/zinc/88/95/03/1122889503.db2.gz IQBRGVKLQHZKMC-OAHLLOKOSA-N 0 3 275.392 3.589 20 30 CHEDHN Cc1ccccc1[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000507180332 1122934889 /nfs/dbraw/zinc/93/48/89/1122934889.db2.gz IRWRDAUUCYLHDK-INIZCTEOSA-N 0 3 294.373 3.995 20 30 CHEDHN COCC#CCN[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001196943146 1122940118 /nfs/dbraw/zinc/94/01/18/1122940118.db2.gz KAQKZEFVSRJENN-SFHVURJKSA-N 0 3 289.394 3.687 20 30 CHEDHN CCC(O)(CC)C(C)(C)NCc1ccc(Cl)cc1C#N ZINC001197155802 1122946233 /nfs/dbraw/zinc/94/62/33/1122946233.db2.gz JLEPJKCFLXWFSH-UHFFFAOYSA-N 0 3 294.826 3.631 20 30 CHEDHN CC[C@H](c1ccccc1)N(CC)Cc1ccc(C#N)cn1 ZINC000519600036 1122948050 /nfs/dbraw/zinc/94/80/50/1122948050.db2.gz AKASENLCZIFZRD-GOSISDBHSA-N 0 3 279.387 3.926 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CSc2ccccc21 ZINC000925092096 1123029178 /nfs/dbraw/zinc/02/91/78/1123029178.db2.gz HNDIVQZPVWYHFN-AAEUAGOBSA-N 0 3 260.406 3.751 20 30 CHEDHN C#CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000776169570 1123100959 /nfs/dbraw/zinc/10/09/59/1123100959.db2.gz HCFRDZYWZRRWTL-DNVCBOLYSA-N 0 3 274.367 3.973 20 30 CHEDHN C=CCCN1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000441467443 1123139134 /nfs/dbraw/zinc/13/91/34/1123139134.db2.gz ATWWMNRFETVRNV-QGZVFWFLSA-N 0 3 294.389 3.610 20 30 CHEDHN C=CCN1CCN(CCCCCCCCC)CC1 ZINC001201846090 1123156061 /nfs/dbraw/zinc/15/60/61/1123156061.db2.gz CYENMMWYFCSPLS-UHFFFAOYSA-N 0 3 252.446 3.541 20 30 CHEDHN CCCCCCCC[C@@H](O)CNCc1ccc(O)cc1F ZINC001252141205 1123229525 /nfs/dbraw/zinc/22/95/25/1123229525.db2.gz XFKKODPMDAALJZ-MRXNPFEDSA-N 0 3 297.414 3.732 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000850320410 1123252682 /nfs/dbraw/zinc/25/26/82/1123252682.db2.gz DEKMABTUUPSQOE-UHFFFAOYSA-N 0 3 286.378 3.513 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2F)CC(C)(C)C1 ZINC000544117968 1123262620 /nfs/dbraw/zinc/26/26/20/1123262620.db2.gz SUFNWYPLRAIVDQ-GFCCVEGCSA-N 0 3 260.356 3.565 20 30 CHEDHN C#Cc1ccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc1 ZINC000850395609 1123263084 /nfs/dbraw/zinc/26/30/84/1123263084.db2.gz IYDOLHQAYUXTSW-WOJBJXKFSA-N 0 3 293.410 3.516 20 30 CHEDHN CC[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccc(C#N)cc1 ZINC000850524839 1123281357 /nfs/dbraw/zinc/28/13/57/1123281357.db2.gz DSMALQOQUWPASP-OTWHNJEPSA-N 0 3 292.382 3.777 20 30 CHEDHN Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OC(C)C)c1 ZINC000442763140 1123335727 /nfs/dbraw/zinc/33/57/27/1123335727.db2.gz AOOHVHQYFFKMTC-HOCLYGCPSA-N 0 3 272.392 3.564 20 30 CHEDHN COc1cc(CN2CCC[C@H]2c2cccs2)ccc1C#N ZINC000442814014 1123340797 /nfs/dbraw/zinc/34/07/97/1123340797.db2.gz UJTAFOPHWDWPPN-HNNXBMFYSA-N 0 3 298.411 3.965 20 30 CHEDHN CSc1ccccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000442873096 1123344371 /nfs/dbraw/zinc/34/43/71/1123344371.db2.gz ZXXSLLOASNBANE-GFCCVEGCSA-N 0 3 260.406 3.753 20 30 CHEDHN C[C@H](NCC#Cc1ccccc1)c1ccc2c(c1)CCCO2 ZINC000852779539 1123414664 /nfs/dbraw/zinc/41/46/64/1123414664.db2.gz DCCJWNPLMNMDSD-INIZCTEOSA-N 0 3 291.394 3.714 20 30 CHEDHN C[C@@H](NCc1cccs1)c1ccc(C#N)c(F)c1 ZINC000346066058 1123424003 /nfs/dbraw/zinc/42/40/03/1123424003.db2.gz LCMBMXVZTPKKSE-SNVBAGLBSA-N 0 3 260.337 3.610 20 30 CHEDHN N#C[C@@H]1CC[C@H](NC2(c3cccc(Cl)c3)CC2)C1 ZINC000335880805 1123456981 /nfs/dbraw/zinc/45/69/81/1123456981.db2.gz YNIAXHOMAKJIAD-RISCZKNCSA-N 0 3 260.768 3.611 20 30 CHEDHN Cc1cc2ccccc2nc1N=NC1C[C@@H](C)N(C2CC2)C1 ZINC000776783432 1123505232 /nfs/dbraw/zinc/50/52/32/1123505232.db2.gz AXFKALNEJORNAS-CYBMUJFWSA-N 0 3 294.402 3.568 20 30 CHEDHN CCCCC(N=Nc1ccncc1)c1ccccc1 ZINC000779809179 1129126653 /nfs/dbraw/zinc/12/66/53/1129126653.db2.gz GEMROIRZMBCOAE-UHFFFAOYSA-N 0 3 253.349 3.510 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccccc2)c1 ZINC000113961433 1123550298 /nfs/dbraw/zinc/55/02/98/1123550298.db2.gz LVOVVEFLOMTCPG-KRWDZBQOSA-N 0 3 280.371 3.657 20 30 CHEDHN C#CCCCN[C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856776810 1123568350 /nfs/dbraw/zinc/56/83/50/1123568350.db2.gz IZCPRCDYPNPVRJ-SECBINFHSA-N 0 3 290.716 3.818 20 30 CHEDHN Cc1ccc([C@H](C)N[C@@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000925491271 1123586675 /nfs/dbraw/zinc/58/66/75/1123586675.db2.gz DRVORVBDQHIABE-STQMWFEESA-N 0 3 289.379 3.882 20 30 CHEDHN C#CCCCCN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000858380093 1123648577 /nfs/dbraw/zinc/64/85/77/1123648577.db2.gz UGSFSPXCBDWIPT-OAHLLOKOSA-N 0 3 281.403 3.541 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000346093462 1123663381 /nfs/dbraw/zinc/66/33/81/1123663381.db2.gz HXXBGLYGXQYNDD-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN C=CCCCN(C)CC(=O)N[C@@H](CCC)c1ccccc1 ZINC000346959591 1123737175 /nfs/dbraw/zinc/73/71/75/1123737175.db2.gz ISESSHCKMRXQOK-KRWDZBQOSA-N 0 3 288.435 3.542 20 30 CHEDHN Cc1onc(-c2ccccc2)c1CN1CCC[C@H](C#N)CC1 ZINC001141988292 1123796630 /nfs/dbraw/zinc/79/66/30/1123796630.db2.gz PCNKYLPDNGZZGP-HNNXBMFYSA-N 0 3 295.386 3.776 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](OCCC(C)C)C1 ZINC000186253886 1123818482 /nfs/dbraw/zinc/81/84/82/1123818482.db2.gz DELORRCRPJEFJS-GOSISDBHSA-N 0 3 286.419 3.504 20 30 CHEDHN CC(C)CCCC=Nn1cnnc1-c1ccccc1 ZINC000863078190 1123842374 /nfs/dbraw/zinc/84/23/74/1123842374.db2.gz SAOHCKOOKVFXRQ-UHFFFAOYSA-N 0 3 256.353 3.605 20 30 CHEDHN C=C[C@@](C)(O)CNCc1cc(Cl)cc(Cl)c1Cl ZINC001252582929 1123899914 /nfs/dbraw/zinc/89/99/14/1123899914.db2.gz ZGGIRIVOCOWPSS-GFCCVEGCSA-N 0 3 294.609 3.673 20 30 CHEDHN C=CCN1CCC(Nc2nc3ccccc3cc2C)CC1 ZINC000301721536 1123927004 /nfs/dbraw/zinc/92/70/04/1123927004.db2.gz MYTOLVUGPAFDPF-UHFFFAOYSA-N 0 3 281.403 3.606 20 30 CHEDHN CCc1ccc(CNCc2cc(C#N)ccc2N(C)C)s1 ZINC000865414133 1123981842 /nfs/dbraw/zinc/98/18/42/1123981842.db2.gz KFXSFQRIOGHMGD-UHFFFAOYSA-N 0 3 299.443 3.538 20 30 CHEDHN CCOc1cc(F)cc(CNCc2ccc(CC#N)cc2)c1 ZINC000865614199 1123999003 /nfs/dbraw/zinc/99/90/03/1123999003.db2.gz ZVUYRBNZIKGNSE-UHFFFAOYSA-N 0 3 298.361 3.580 20 30 CHEDHN CC[C@@]1(C)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000399449417 1124038597 /nfs/dbraw/zinc/03/85/97/1124038597.db2.gz HULFSLVJMMVXNQ-HNNXBMFYSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CC[C@@H](N[C@@H]1CCc2cc(OC)ccc21)c1ccncc1 ZINC000866268489 1124044909 /nfs/dbraw/zinc/04/49/09/1124044909.db2.gz WTIUPERUHYTWSY-RTBURBONSA-N 0 3 294.398 3.985 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866313222 1124050718 /nfs/dbraw/zinc/05/07/18/1124050718.db2.gz XZGXLJWTYNIMRI-LLVKDONJSA-N 0 3 294.782 3.725 20 30 CHEDHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000268811570 1124073038 /nfs/dbraw/zinc/07/30/38/1124073038.db2.gz OBEYGNFIGLLSHI-ORAYPTAESA-N 0 3 292.382 3.905 20 30 CHEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cc2cnccc2o1 ZINC000866621280 1124090216 /nfs/dbraw/zinc/09/02/16/1124090216.db2.gz PXNLZERPVRLRGU-SCRDCRAPSA-N 0 3 269.348 3.561 20 30 CHEDHN C[C@]1(c2ccccc2)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000446712370 1124118721 /nfs/dbraw/zinc/11/87/21/1124118721.db2.gz QWBGABXGSLHCLQ-IBGZPJMESA-N 0 3 294.373 3.861 20 30 CHEDHN N#Cc1cccc(CNCc2ccccc2C2CC2)c1 ZINC000094357675 1124119586 /nfs/dbraw/zinc/11/95/86/1124119586.db2.gz SOYZSBFTUALEGC-UHFFFAOYSA-N 0 3 262.356 3.725 20 30 CHEDHN C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccccc1[O-] ZINC001119248873 1131248311 /nfs/dbraw/zinc/24/83/11/1131248311.db2.gz SRAVONPBJQPKRD-ICXUMSERSA-N 0 3 292.382 3.667 20 30 CHEDHN N#Cc1ccc(CN(CCc2ccccc2)C2CC2)s1 ZINC001119700107 1131262058 /nfs/dbraw/zinc/26/20/58/1131262058.db2.gz DYLJBIQEOMYWBD-UHFFFAOYSA-N 0 3 282.412 3.827 20 30 CHEDHN Cc1cc(C)nc(NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000122340656 1124491698 /nfs/dbraw/zinc/49/16/98/1124491698.db2.gz XNNJDMTVUDJBEC-CQSZACIVSA-N 0 3 281.359 3.601 20 30 CHEDHN CC[C@H](NCc1cc(F)cc(OC)c1)c1ccc(C#N)cc1 ZINC000447585641 1124492226 /nfs/dbraw/zinc/49/22/26/1124492226.db2.gz LCCQAYKKWQFIDU-SFHVURJKSA-N 0 3 298.361 3.947 20 30 CHEDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(CC#N)CC1 ZINC000527053366 1124546704 /nfs/dbraw/zinc/54/67/04/1124546704.db2.gz IWUXDBYPZAFZKK-KAMYIIQDSA-N 0 3 299.374 3.624 20 30 CHEDHN C=CCCCN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000448027649 1124558564 /nfs/dbraw/zinc/55/85/64/1124558564.db2.gz NULJQZJFXKXAOS-KRWDZBQOSA-N 0 3 270.351 3.866 20 30 CHEDHN CCN(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000448196440 1124569835 /nfs/dbraw/zinc/56/98/35/1124569835.db2.gz KPAFOGSALVFOAU-UHFFFAOYSA-N 0 3 267.347 3.699 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040824 1124664666 /nfs/dbraw/zinc/66/46/66/1124664666.db2.gz CPGTXPBFKPNSCD-UWVGGRQHSA-N 0 3 266.366 3.542 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H](COC)c1ccco1 ZINC000449178776 1124665087 /nfs/dbraw/zinc/66/50/87/1124665087.db2.gz UOZMSGXHJXMJQQ-UONOGXRCSA-N 0 3 251.370 3.692 20 30 CHEDHN COc1cc(CN2CCC(C)(C#N)CC2)cc2ccccc21 ZINC000449229545 1124675432 /nfs/dbraw/zinc/67/54/32/1124675432.db2.gz BXQPNFMZXRBJQT-UHFFFAOYSA-N 0 3 294.398 3.974 20 30 CHEDHN C#C[C@H]1CC[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872138891 1124694536 /nfs/dbraw/zinc/69/45/36/1124694536.db2.gz AHMNETNTNPLUNU-AVGNSLFASA-N 0 3 290.338 3.577 20 30 CHEDHN Cc1nc(C(C)C)ccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001122728594 1131302377 /nfs/dbraw/zinc/30/23/77/1131302377.db2.gz BZMVVKSNCFPGBA-CYBMUJFWSA-N 0 3 297.333 3.538 20 30 CHEDHN C#C[C@@H](N[C@H]1CCCSCC1)c1ccc(Cl)cc1 ZINC000825949037 1125020329 /nfs/dbraw/zinc/02/03/29/1125020329.db2.gz OFRQBPLSPWISIY-LSDHHAIUSA-N 0 3 279.836 3.890 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)CCc1cncc2ccccc21 ZINC000877366362 1125024586 /nfs/dbraw/zinc/02/45/86/1125024586.db2.gz WCGPWHFJTAZTNJ-WMLDXEAASA-N 0 3 281.403 3.838 20 30 CHEDHN C#CCCCCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000877515595 1125036660 /nfs/dbraw/zinc/03/66/60/1125036660.db2.gz JVTOHIKZCZYPGA-INIZCTEOSA-N 0 3 259.397 3.520 20 30 CHEDHN C=C(CC)CNCc1cc2c(ccnc2Cl)o1 ZINC000877575564 1125049118 /nfs/dbraw/zinc/04/91/18/1125049118.db2.gz XXXUKKKEYJFTLF-UHFFFAOYSA-N 0 3 250.729 3.537 20 30 CHEDHN CC(C)[C@H](Cc1ccc(F)cc1)NCC1(C#N)CCC1 ZINC000450692183 1125089304 /nfs/dbraw/zinc/08/93/04/1125089304.db2.gz KHBCTWQHAJMALZ-INIZCTEOSA-N 0 3 274.383 3.676 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1CCC[C@H](C)[C@@H]1C)c1ccccc1 ZINC000878129522 1125121890 /nfs/dbraw/zinc/12/18/90/1125121890.db2.gz KJUDRQHIKMUKLO-TXPKVOOTSA-N 0 3 298.430 3.547 20 30 CHEDHN C[C@@H](NC[C@@H]1CCC(C)(C)CO1)c1ccc(C#N)cc1F ZINC000878406652 1125150210 /nfs/dbraw/zinc/15/02/10/1125150210.db2.gz AEKISFLXHNOHCP-OCCSQVGLSA-N 0 3 290.382 3.553 20 30 CHEDHN C=CC[C@@H](C)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000878993687 1125189703 /nfs/dbraw/zinc/18/97/03/1125189703.db2.gz IFNVTIFGQODBSE-BXKDBHETSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CCCC[C@H](NCc1cc(C)nn1C)c1ccccc1 ZINC000880389179 1125271465 /nfs/dbraw/zinc/27/14/65/1125271465.db2.gz DQCLPHXRMPRQBA-SFHVURJKSA-N 0 3 283.419 3.916 20 30 CHEDHN C#CC[C@H](NCc1ccc2c(c1)COC2)c1ccccc1 ZINC000756995910 1125304351 /nfs/dbraw/zinc/30/43/51/1125304351.db2.gz MHKCEAOXIDJKBC-IBGZPJMESA-N 0 3 277.367 3.571 20 30 CHEDHN C=CC[C@H](NCc1cccc2c1CCOC2)c1ccncc1 ZINC000883003281 1125367794 /nfs/dbraw/zinc/36/77/94/1125367794.db2.gz HYUXNKFLHQFGKX-IBGZPJMESA-N 0 3 294.398 3.561 20 30 CHEDHN C=CCC[C@H](NCc1nc(C2CC2)cs1)[C@@H]1CCCO1 ZINC000883206136 1125377436 /nfs/dbraw/zinc/37/74/36/1125377436.db2.gz LEBPBFWKHMNBDO-ZFWWWQNUSA-N 0 3 292.448 3.624 20 30 CHEDHN C=CCC[C@@H](NCc1cc(C)cc(Cl)n1)[C@H]1CCCO1 ZINC000883221320 1125379690 /nfs/dbraw/zinc/37/96/90/1125379690.db2.gz YWKNZXYXFXFASR-HUUCEWRRSA-N 0 3 294.826 3.647 20 30 CHEDHN Cc1cccc2c1CN([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000429557896 1125433155 /nfs/dbraw/zinc/43/31/55/1125433155.db2.gz CWKGIUVSSPTICK-HNNXBMFYSA-N 0 3 276.383 3.986 20 30 CHEDHN Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCCC3)n1 ZINC000041518736 1125433405 /nfs/dbraw/zinc/43/34/05/1125433405.db2.gz VESYOOIJKKKGPF-HNNXBMFYSA-N 0 3 296.395 3.820 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCCC3)n1 ZINC000041518736 1125433408 /nfs/dbraw/zinc/43/34/08/1125433408.db2.gz VESYOOIJKKKGPF-HNNXBMFYSA-N 0 3 296.395 3.820 20 30 CHEDHN C=CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000041515993 1125433595 /nfs/dbraw/zinc/43/35/95/1125433595.db2.gz SEBOUWORFVNJAX-AWEZNQCLSA-N 0 3 298.367 3.506 20 30 CHEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000041515993 1125433597 /nfs/dbraw/zinc/43/35/97/1125433597.db2.gz SEBOUWORFVNJAX-AWEZNQCLSA-N 0 3 298.367 3.506 20 30 CHEDHN CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1[O-] ZINC000037748729 1129264231 /nfs/dbraw/zinc/26/42/31/1129264231.db2.gz ZAOPCHAGGXWZIN-MRXNPFEDSA-N 0 3 266.344 3.505 20 30 CHEDHN C[C@H]1Cc2ccccc2CN1Cc1ccc(OCC#N)cc1 ZINC000741797246 1129453874 /nfs/dbraw/zinc/45/38/74/1129453874.db2.gz KGNBHPGLKZMIMY-HNNXBMFYSA-N 0 3 292.382 3.536 20 30 CHEDHN COc1ccc(CN[C@@H](c2cccs2)C2CC2)cc1C#N ZINC000742366839 1129472391 /nfs/dbraw/zinc/47/23/91/1129472391.db2.gz WIOLYPGAIQWDCE-QGZVFWFLSA-N 0 3 298.411 3.869 20 30 CHEDHN COc1ccc(CN[C@H]2CCc3ccc(C)cc32)cc1C#N ZINC000742369634 1129474931 /nfs/dbraw/zinc/47/49/31/1129474931.db2.gz AQHVPMCWUFVHAO-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccncc2)c1 ZINC000743478368 1129527239 /nfs/dbraw/zinc/52/72/39/1129527239.db2.gz ZWPTWFDRYONLOL-PBHICJAKSA-N 0 3 295.386 3.613 20 30 CHEDHN C#CCCOc1ccc(CN[C@H](C)CC(F)(F)F)cc1 ZINC000766480492 1129670778 /nfs/dbraw/zinc/67/07/78/1129670778.db2.gz WQHRXMXUHGKABM-GFCCVEGCSA-N 0 3 285.309 3.519 20 30 CHEDHN C[Si](C)(C)C#CNCc1ccc(-c2ccccn2)cc1 ZINC001169889954 1129761906 /nfs/dbraw/zinc/76/19/06/1129761906.db2.gz XLNWEONQPJMNGB-UHFFFAOYSA-N 0 3 280.447 3.677 20 30 CHEDHN N#CCCN(C1CCCC1)[C@H]1CCc2cccc(F)c2C1 ZINC001170995383 1131396524 /nfs/dbraw/zinc/39/65/24/1131396524.db2.gz DJASRDBODCNEBT-INIZCTEOSA-N 0 3 286.394 3.841 20 30 CHEDHN CC(C)CN(CCC#N)C[C@H]1C[C@H]1c1ccccc1 ZINC000768154590 1129836502 /nfs/dbraw/zinc/83/65/02/1129836502.db2.gz UESJXODYIBMESP-SJORKVTESA-N 0 3 256.393 3.662 20 30 CHEDHN C#CCOc1ccc(CN(Cc2ccco2)C(C)C)cc1 ZINC000768249301 1129847436 /nfs/dbraw/zinc/84/74/36/1129847436.db2.gz CAFACQBEMWYTLW-UHFFFAOYSA-N 0 3 283.371 3.702 20 30 CHEDHN Cc1cccc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000768253024 1129847715 /nfs/dbraw/zinc/84/77/15/1129847715.db2.gz VLAIJHUFURMKSQ-INIZCTEOSA-N 0 3 294.398 3.918 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cc(OCC)ccc1O ZINC000768552518 1129862001 /nfs/dbraw/zinc/86/20/01/1129862001.db2.gz VWOJOMPNJFRVCH-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C=C(Cl)CN(CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000800466901 1129875314 /nfs/dbraw/zinc/87/53/14/1129875314.db2.gz JLTRFQBKJRCXLP-AWEZNQCLSA-N 0 3 294.826 3.868 20 30 CHEDHN C#CCCOc1ccc(CN2CCC(C(F)F)CC2)cc1 ZINC000769445811 1129910497 /nfs/dbraw/zinc/91/04/97/1129910497.db2.gz KMOGBXLSBACWJN-UHFFFAOYSA-N 0 3 293.357 3.566 20 30 CHEDHN C#C[C@@H](C)N(C)CCOC(c1ccccc1)c1ccccc1 ZINC000769962123 1129931522 /nfs/dbraw/zinc/93/15/22/1129931522.db2.gz BIHMUAOYSQOQFP-QGZVFWFLSA-N 0 3 293.410 3.746 20 30 CHEDHN CCCCCCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000801874874 1129953316 /nfs/dbraw/zinc/95/33/16/1129953316.db2.gz LDGVVTODUGRGJO-UHFFFAOYSA-N 0 3 281.440 3.765 20 30 CHEDHN C=CCCCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000770667501 1129953986 /nfs/dbraw/zinc/95/39/86/1129953986.db2.gz GCBZAUKNWYTURB-UHFFFAOYSA-N 0 3 253.773 3.800 20 30 CHEDHN C[C@@H](C#N)OCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000801932088 1129961456 /nfs/dbraw/zinc/96/14/56/1129961456.db2.gz GQGRUYQEWVJFNQ-KBXCAEBGSA-N 0 3 297.402 3.624 20 30 CHEDHN C[C@H](C#N)OCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000801932091 1129961573 /nfs/dbraw/zinc/96/15/73/1129961573.db2.gz GQGRUYQEWVJFNQ-RDTXWAMCSA-N 0 3 297.402 3.624 20 30 CHEDHN C=CCC[C@H](NCc1nccs1)[C@]1(C)CCCCO1 ZINC000902758051 1130053399 /nfs/dbraw/zinc/05/33/99/1130053399.db2.gz CCQYPJXWHDCFAO-ZFWWWQNUSA-N 0 3 280.437 3.527 20 30 CHEDHN C[C@H](N[C@H]1C[C@H](c2ccccc2F)C1)c1cc(C#N)ccn1 ZINC000902979380 1130094354 /nfs/dbraw/zinc/09/43/54/1130094354.db2.gz RYWQIGOGKQPIJW-QEJZJMRPSA-N 0 3 295.361 3.689 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cn(CCC)nn1 ZINC000903024679 1130102199 /nfs/dbraw/zinc/10/21/99/1130102199.db2.gz MZFBPTPMPRIXKF-RDJZCZTQSA-N 0 3 298.434 3.526 20 30 CHEDHN CCC(F)(F)C(C)(C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000903069809 1130107490 /nfs/dbraw/zinc/10/74/90/1130107490.db2.gz JUQRUIBWAALAGF-NSHDSACASA-N 0 3 281.350 3.675 20 30 CHEDHN C[C@H](N[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1cc(C#N)ccn1 ZINC000903063807 1130107829 /nfs/dbraw/zinc/10/78/29/1130107829.db2.gz IPXWLUABEBTJQO-MORSLUCNSA-N 0 3 291.398 3.796 20 30 CHEDHN C=CCC[C@H](NCc1ccnn1C)c1cccc(Cl)c1 ZINC000903068117 1130108039 /nfs/dbraw/zinc/10/80/39/1130108039.db2.gz ZULSOQGWJGRHGE-INIZCTEOSA-N 0 3 289.810 3.871 20 30 CHEDHN C=C(CN[C@H](c1ccccn1)C1CC1)c1ccccc1 ZINC000903083683 1130109256 /nfs/dbraw/zinc/10/92/56/1130109256.db2.gz LRAJSADZLPNKKK-SFHVURJKSA-N 0 3 264.372 3.836 20 30 CHEDHN CC(C)CCC[C@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001170061464 1130110137 /nfs/dbraw/zinc/11/01/37/1130110137.db2.gz QQIBRGGICMCKIE-NSHDSACASA-N 0 3 267.804 3.655 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H](c1ncccn1)C1CC1 ZINC000903325307 1130155435 /nfs/dbraw/zinc/15/54/35/1130155435.db2.gz TUIYTZQZUSFWTB-ZFWWWQNUSA-N 0 3 259.397 3.652 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccncc1)C1CC1)CC2 ZINC000903428167 1130175647 /nfs/dbraw/zinc/17/56/47/1130175647.db2.gz MWMZJBZERRGLCJ-RTBURBONSA-N 0 3 289.382 3.681 20 30 CHEDHN CCCc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000746734386 1130177790 /nfs/dbraw/zinc/17/77/90/1130177790.db2.gz SDHDUCADBFXAHI-UHFFFAOYSA-N 0 3 294.398 3.809 20 30 CHEDHN C#CCN(Cc1ccnc(Cl)c1)C1CCCCC1 ZINC000748803206 1130249020 /nfs/dbraw/zinc/24/90/20/1130249020.db2.gz STVHKQVZUVEIIB-UHFFFAOYSA-N 0 3 262.784 3.503 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCCSC2)c([O-])c1 ZINC000749008268 1130257773 /nfs/dbraw/zinc/25/77/73/1130257773.db2.gz UBAQXSZHPPUVJT-RQNDZEIBSA-N 0 3 292.448 3.553 20 30 CHEDHN CC1=C[C@@H](C)C[C@@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000789639186 1130267952 /nfs/dbraw/zinc/26/79/52/1130267952.db2.gz ITXBEBQROJFKRQ-UKRRQHHQSA-N 0 3 280.375 3.771 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@@H](CC)c2ccccc2)n1 ZINC000789757511 1130273973 /nfs/dbraw/zinc/27/39/73/1130273973.db2.gz ACOFWWYDUQSGJR-QGZVFWFLSA-N 0 3 295.430 3.532 20 30 CHEDHN Cc1cc(C#N)cnc1C1=CCCN(Cc2ccccc2)C1 ZINC001240385508 1130285015 /nfs/dbraw/zinc/28/50/15/1130285015.db2.gz WEUOPEQICWBVER-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN Cc1nc(C2=CCCN(Cc3ccccc3)C2)ccc1C#N ZINC001240386078 1130285515 /nfs/dbraw/zinc/28/55/15/1130285515.db2.gz YRZTVQGYFUQLSF-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN CCCCCCC[C@H](C)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000826888763 1130307295 /nfs/dbraw/zinc/30/72/95/1130307295.db2.gz KQLKUPTXNVJLKM-BFHYXJOUSA-N 0 3 264.417 3.623 20 30 CHEDHN C=CCCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000790593171 1130321011 /nfs/dbraw/zinc/32/10/11/1130321011.db2.gz YAFZIDLIQIHWNE-UHFFFAOYSA-N 0 3 289.810 3.641 20 30 CHEDHN C#CCOc1ccc(CNCc2ccc(C3CC3)cc2)cc1 ZINC000790995379 1130343194 /nfs/dbraw/zinc/34/31/94/1130343194.db2.gz ODSGTAYRGAEBHB-UHFFFAOYSA-N 0 3 291.394 3.866 20 30 CHEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000678741607 1130448525 /nfs/dbraw/zinc/44/85/25/1130448525.db2.gz DABQHISLSDPGIE-NEPJUHHUSA-N 0 3 267.319 3.741 20 30 CHEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000678745363 1130449756 /nfs/dbraw/zinc/44/97/56/1130449756.db2.gz QEPAJDLKHALTFS-CABCVRRESA-N 0 3 289.419 3.935 20 30 CHEDHN N#Cc1cccc(C2(NCc3cccc4ncccc34)CC2)c1 ZINC001170205269 1130458185 /nfs/dbraw/zinc/45/81/85/1130458185.db2.gz IRAIRLOXTKZSKK-UHFFFAOYSA-N 0 3 299.377 3.885 20 30 CHEDHN C[C@H](Cc1ccccc1Cl)NCc1cc(C#N)co1 ZINC001170264376 1130470069 /nfs/dbraw/zinc/47/00/69/1130470069.db2.gz YJDVETIVCZIQLM-LLVKDONJSA-N 0 3 274.751 3.525 20 30 CHEDHN C=C(Br)CN1CCC[C@@H]1CC(C)(C)C ZINC000747110763 1130536857 /nfs/dbraw/zinc/53/68/57/1130536857.db2.gz SYKRGKXSBPMLEL-LLVKDONJSA-N 0 3 260.219 3.796 20 30 CHEDHN C=CCOCCN[C@H](C)c1cc(Cl)ccc1OCC ZINC000679576558 1130541366 /nfs/dbraw/zinc/54/13/66/1130541366.db2.gz PJABEZSJBQMOBX-GFCCVEGCSA-N 0 3 283.799 3.592 20 30 CHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3C(C)(C)C3(C)C)nc21 ZINC000747125332 1130560073 /nfs/dbraw/zinc/56/00/73/1130560073.db2.gz UGDLNQSPUIFPQD-NSHDSACASA-N 0 3 295.386 3.730 20 30 CHEDHN C#C[C@H](N[C@@H]1CCC[C@H](OC)C1)c1ccc(Cl)cc1 ZINC000811517512 1130615134 /nfs/dbraw/zinc/61/51/34/1130615134.db2.gz UQWCWSLQLQSNJA-PMPSAXMXSA-N 0 3 277.795 3.562 20 30 CHEDHN CC(C)(C)C1=CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000759262418 1130647606 /nfs/dbraw/zinc/64/76/06/1130647606.db2.gz DTGOSLHBLMXICN-UHFFFAOYSA-N 0 3 284.403 3.767 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(C(OCC)OCC)cc1 ZINC001234892672 1130688310 /nfs/dbraw/zinc/68/83/10/1130688310.db2.gz QIOJMHGYOLHIKU-UHFFFAOYSA-N 0 3 289.419 3.932 20 30 CHEDHN N#CC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234989241 1130699840 /nfs/dbraw/zinc/69/98/40/1130699840.db2.gz BRGVZGCZRVJHNE-UHFFFAOYSA-N 0 3 292.382 3.795 20 30 CHEDHN C[C@@H](NCCSC(F)(F)F)c1ccc(C#N)cc1F ZINC000781422318 1130716624 /nfs/dbraw/zinc/71/66/24/1130716624.db2.gz WKLDDWOBXUNGSB-MRVPVSSYSA-N 0 3 292.301 3.601 20 30 CHEDHN C#C[C@H](N[C@H](C)Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000812793179 1130717222 /nfs/dbraw/zinc/71/72/22/1130717222.db2.gz NSOOGZYIQJYRCZ-KUHUBIRLSA-N 0 3 297.373 3.729 20 30 CHEDHN C#C[C@@H](N[C@H](C)Cc1cccs1)c1ccc(F)cc1 ZINC000812793495 1130717323 /nfs/dbraw/zinc/71/73/23/1130717323.db2.gz WLDIJJPMPWYGPY-MLGOLLRUSA-N 0 3 273.376 3.782 20 30 CHEDHN C#C[C@@H](N[C@@H](C)Cc1ccsc1)c1ccc(F)cc1 ZINC000812795347 1130717994 /nfs/dbraw/zinc/71/79/94/1130717994.db2.gz RZDVNOGJJGXPMP-BLLLJJGKSA-N 0 3 273.376 3.782 20 30 CHEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CCCCC1 ZINC000781453711 1130718255 /nfs/dbraw/zinc/71/82/55/1130718255.db2.gz XLUUYKNQFGMYSX-GFCCVEGCSA-N 0 3 282.343 3.974 20 30 CHEDHN CCCCCCCN(CC)Cc1cc(C(=O)OC)ccn1 ZINC001235201442 1130722276 /nfs/dbraw/zinc/72/22/76/1130722276.db2.gz CQMGIEORNOIGIN-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN C=CCN(C)Cc1cc2c(cccc2Br)[nH]1 ZINC001235221448 1130723750 /nfs/dbraw/zinc/72/37/50/1130723750.db2.gz UYURMLXKHAPUFC-UHFFFAOYSA-N 0 3 279.181 3.548 20 30 CHEDHN C[C@H]1Cc2ccccc2CN1Cc1ccccc1CC#N ZINC001235524795 1130750581 /nfs/dbraw/zinc/75/05/81/1130750581.db2.gz GUIKQYFCPMUCDK-HNNXBMFYSA-N 0 3 276.383 3.699 20 30 CHEDHN N#CCc1ccccc1CN1CC2(C1)CCCCC2 ZINC001235526578 1130752996 /nfs/dbraw/zinc/75/29/96/1130752996.db2.gz DWHOCMKKDHKGRA-UHFFFAOYSA-N 0 3 254.377 3.519 20 30 CHEDHN CCCCCCCN(CC)Cc1nc2c(s1)CNCC2 ZINC001235661979 1130762468 /nfs/dbraw/zinc/76/24/68/1130762468.db2.gz RWONODQXMRUOPI-UHFFFAOYSA-N 0 3 295.496 3.581 20 30 CHEDHN CN(CCC#N)c1ccc(C=NN[C@@H]2CCCC2(C)C)cc1 ZINC000782289360 1130769988 /nfs/dbraw/zinc/76/99/88/1130769988.db2.gz WUBUABJTKKZRKD-QGZVFWFLSA-N 0 3 298.434 3.539 20 30 CHEDHN C#C[C@H](N[C@@H](C)c1cc2ccccc2s1)[C@@H]1CCCO1 ZINC000783294236 1130812312 /nfs/dbraw/zinc/81/23/12/1130812312.db2.gz IMXYESFKLVKWGR-QEJZJMRPSA-N 0 3 285.412 3.733 20 30 CHEDHN CC(C)(NCc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000784178618 1130886591 /nfs/dbraw/zinc/88/65/91/1130886591.db2.gz YELQUTAKMHGIMN-UHFFFAOYSA-N 0 3 282.362 3.917 20 30 CHEDHN C[C@@H](NN=C1CCCc2ccc(N)cc21)c1ccccc1 ZINC000814815084 1130917105 /nfs/dbraw/zinc/91/71/05/1130917105.db2.gz MMEDPTVEALBAFZ-CYBMUJFWSA-N 0 3 279.387 3.660 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@H](C)C2CCCCC2)n1 ZINC000815102909 1130962011 /nfs/dbraw/zinc/96/20/11/1130962011.db2.gz MKZAYVDYSUJMCJ-INIZCTEOSA-N 0 3 287.451 3.555 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(Cl)cc(C(=O)OC)c1 ZINC001236773740 1131005215 /nfs/dbraw/zinc/00/52/15/1131005215.db2.gz CYJWXGQRBFGCGH-UHFFFAOYSA-N 0 3 281.783 3.525 20 30 CHEDHN CCCCCCCN(C)Cc1n[nH]c2cc(OC)ccc21 ZINC001237387444 1131094180 /nfs/dbraw/zinc/09/41/80/1131094180.db2.gz FBLKPLIBVYMJPG-UHFFFAOYSA-N 0 3 289.423 3.974 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccccc2NC(=O)C(C)(C)C)C1 ZINC001237399076 1131095409 /nfs/dbraw/zinc/09/54/09/1131095409.db2.gz MCUYQEBECCHLIK-OAHLLOKOSA-N 0 3 298.430 3.516 20 30 CHEDHN Cc1cc(C)cc([C@@H]2CCCN2Cc2ccnc(C#N)c2)c1 ZINC001237461282 1131101287 /nfs/dbraw/zinc/10/12/87/1131101287.db2.gz ACFFUVHYBJZVCO-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN CCCCCCCCN(C)Cc1ccnc(C#N)c1 ZINC001237465952 1131102688 /nfs/dbraw/zinc/10/26/88/1131102688.db2.gz PLGKNDJPPBNLKX-UHFFFAOYSA-N 0 3 259.397 3.746 20 30 CHEDHN CN(Cc1cc(C#N)c(F)cc1F)C1CCCCC1 ZINC001237526235 1131110846 /nfs/dbraw/zinc/11/08/46/1131110846.db2.gz ADARSWPCZSOSDH-UHFFFAOYSA-N 0 3 264.319 3.601 20 30 CHEDHN Cc1cc(CN2CCC[C@@H](C#N)CC2)ccc1OC(C)C ZINC001237727758 1131134051 /nfs/dbraw/zinc/13/40/51/1131134051.db2.gz OLMWNTQZWHGNSV-MRXNPFEDSA-N 0 3 286.419 3.908 20 30 CHEDHN Cc1c(Cl)cccc1CN1CCC(S)CC1 ZINC001237738540 1131136191 /nfs/dbraw/zinc/13/61/91/1131136191.db2.gz REJIMBOIJFPENS-UHFFFAOYSA-N 0 3 255.814 3.543 20 30 CHEDHN C[C@@H]1CCCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237756639 1131139883 /nfs/dbraw/zinc/13/98/83/1131139883.db2.gz LYJSOEZPLIKRMJ-GFCCVEGCSA-N 0 3 262.784 3.976 20 30 CHEDHN C[C@H]1CCCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237756640 1131140031 /nfs/dbraw/zinc/14/00/31/1131140031.db2.gz LYJSOEZPLIKRMJ-LBPRGKRZSA-N 0 3 262.784 3.976 20 30 CHEDHN C=CCO[C@H]1CCN(Cc2ccccc2OCCCC)C1 ZINC001116639233 1131157671 /nfs/dbraw/zinc/15/76/71/1131157671.db2.gz ROSCYBRAIFDJIF-KRWDZBQOSA-N 0 3 289.419 3.642 20 30 CHEDHN N#CCOc1ccc(CNCc2cccc(C3CC3)c2)cc1 ZINC000817407411 1131159068 /nfs/dbraw/zinc/15/90/68/1131159068.db2.gz NBKNKFFWTVPLMY-UHFFFAOYSA-N 0 3 292.382 3.756 20 30 CHEDHN Clc1ccc(C#CCN2CCC(C3CC3)CC2)cc1 ZINC001170871131 1131166550 /nfs/dbraw/zinc/16/65/50/1131166550.db2.gz OOEHYODGRBLLAJ-UHFFFAOYSA-N 0 3 273.807 3.814 20 30 CHEDHN COC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC001238086103 1131169568 /nfs/dbraw/zinc/16/95/68/1131169568.db2.gz UCJOHEPVVKYXFJ-OAHLLOKOSA-N 0 3 292.810 3.601 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2cc(C)nc(C)c2)cc1 ZINC000817590112 1131174866 /nfs/dbraw/zinc/17/48/66/1131174866.db2.gz TWPAUGGEQISLOW-INIZCTEOSA-N 0 3 294.398 3.561 20 30 CHEDHN COCC[C@H]1CCCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238194628 1131179479 /nfs/dbraw/zinc/17/94/79/1131179479.db2.gz QKDFOVUEAUMIPA-OAHLLOKOSA-N 0 3 292.810 3.603 20 30 CHEDHN N#Cc1cc(CN2CCC3(CCCC3)C2)ccc1Cl ZINC001238195056 1131179749 /nfs/dbraw/zinc/17/97/49/1131179749.db2.gz ZKUHTZDWYQYFJQ-UHFFFAOYSA-N 0 3 274.795 3.978 20 30 CHEDHN C=CCN1CCN(Cc2sc3ccccc3c2C)CC1 ZINC001138460064 1131508557 /nfs/dbraw/zinc/50/85/57/1131508557.db2.gz CGHSHWYRHCRBOH-UHFFFAOYSA-N 0 3 286.444 3.513 20 30 CHEDHN C=CCc1cccc(C[N@H+](CC)Cc2cccnc2)c1[O-] ZINC001138629032 1131529524 /nfs/dbraw/zinc/52/95/24/1131529524.db2.gz LRYPHNAIHLFTFK-UHFFFAOYSA-N 0 3 282.387 3.538 20 30 CHEDHN C=CCc1cccc(C[N@@H+](CC)Cc2cccnc2)c1[O-] ZINC001138629032 1131529527 /nfs/dbraw/zinc/52/95/27/1131529527.db2.gz LRYPHNAIHLFTFK-UHFFFAOYSA-N 0 3 282.387 3.538 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1[O-] ZINC001138629121 1131530037 /nfs/dbraw/zinc/53/00/37/1131530037.db2.gz OWORPLKHAFFNRT-GOSISDBHSA-N 0 3 294.398 3.853 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1[O-] ZINC001138629121 1131530039 /nfs/dbraw/zinc/53/00/39/1131530039.db2.gz OWORPLKHAFFNRT-GOSISDBHSA-N 0 3 294.398 3.853 20 30 CHEDHN C=CCCCCN(C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC001138654360 1131532814 /nfs/dbraw/zinc/53/28/14/1131532814.db2.gz WRTQPQMJNWYTFQ-UHFFFAOYSA-N 0 3 287.382 3.800 20 30 CHEDHN C#C[C@H]1CCCN(Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138834226 1131554599 /nfs/dbraw/zinc/55/45/99/1131554599.db2.gz XQLLNRHVFWVZHD-LBPRGKRZSA-N 0 3 272.779 3.667 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@]2(CC2(F)F)C1 ZINC000844441684 1131565943 /nfs/dbraw/zinc/56/59/43/1131565943.db2.gz QXDLDNAYKYTCEC-DOMZBBRYSA-N 0 3 276.330 3.740 20 30 CHEDHN CC[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)cn1 ZINC001144163899 1131591894 /nfs/dbraw/zinc/59/18/94/1131591894.db2.gz ZJKQVQODKYYFEV-KRWDZBQOSA-N 0 3 265.360 3.536 20 30 CHEDHN C=CCN(Cc1cn2c(cccc2F)n1)C1CCCCC1 ZINC001139571686 1131617649 /nfs/dbraw/zinc/61/76/49/1131617649.db2.gz DTDRNWNNFPNIBG-UHFFFAOYSA-N 0 3 287.382 3.794 20 30 CHEDHN N#CC(C(=O)[C@H]1C[C@H]1C1CCCC1)c1nc2ccccc2[nH]1 ZINC000845436717 1131634300 /nfs/dbraw/zinc/63/43/00/1131634300.db2.gz JEBOCDAHALXTDZ-MELADBBJSA-N 0 3 293.370 3.565 20 30 CHEDHN N#CC(C(=O)CC1C2CC3CC(C2)CC1C3)c1ccccn1 ZINC000845441862 1131635174 /nfs/dbraw/zinc/63/51/74/1131635174.db2.gz VHEGAFPAQXFZLG-QXGXVAPBSA-N 0 3 294.398 3.720 20 30 CHEDHN CN(CCc1ccccc1F)Cc1cc(F)cc(C#N)c1 ZINC001139878270 1131645857 /nfs/dbraw/zinc/64/58/57/1131645857.db2.gz FXEUCZHZCBAQLR-UHFFFAOYSA-N 0 3 286.325 3.511 20 30 CHEDHN C=CCCCCN(C)Cc1cccnc1C(F)(F)F ZINC001144539249 1131653718 /nfs/dbraw/zinc/65/37/18/1131653718.db2.gz XTGLSPHRVAEYSB-UHFFFAOYSA-N 0 3 272.314 3.889 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc2ccccc2cn1 ZINC001139999115 1131656161 /nfs/dbraw/zinc/65/61/61/1131656161.db2.gz QNMFFJXCPOXRFQ-WVJCCSTMSA-N 0 3 277.371 3.501 20 30 CHEDHN C[C@]1(F)CCCCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110027 1131664649 /nfs/dbraw/zinc/66/46/49/1131664649.db2.gz DLBWIEUGMFAHFP-KRWDZBQOSA-N 0 3 285.366 3.754 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2cc(F)cnc2Cl)C1 ZINC000845978284 1131674542 /nfs/dbraw/zinc/67/45/42/1131674542.db2.gz JRUIUJSLTLUBJY-MFKMUULPSA-N 0 3 268.763 3.709 20 30 CHEDHN N#CCC1CCN(Cc2cccc(-c3nccs3)c2)CC1 ZINC001140337458 1131702731 /nfs/dbraw/zinc/70/27/31/1131702731.db2.gz PCTOCEYDIGNBKA-UHFFFAOYSA-N 0 3 297.427 3.936 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834787002 1131705570 /nfs/dbraw/zinc/70/55/70/1131705570.db2.gz GBPFJEZJTSOPJY-DLBZAZTESA-N 0 3 290.366 3.528 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCOC2(CCCCC2)C1 ZINC001171228739 1131711458 /nfs/dbraw/zinc/71/14/58/1131711458.db2.gz ILTLYOTUNDCBED-MRXNPFEDSA-N 0 3 298.430 3.524 20 30 CHEDHN C#Cc1cccc(CN[C@H](c2cccnc2)C(C)C)c1 ZINC000834902552 1131724876 /nfs/dbraw/zinc/72/48/76/1131724876.db2.gz JJCUBVPYJMSBPR-SFHVURJKSA-N 0 3 264.372 3.550 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2csc(C)c2)c1 ZINC000834904498 1131726657 /nfs/dbraw/zinc/72/66/57/1131726657.db2.gz YZPYMOLVAKNOJH-CYBMUJFWSA-N 0 3 255.386 3.889 20 30 CHEDHN C#Cc1cccc(CN[C@H](c2cccnc2)C2CCC2)c1 ZINC000834903743 1131727270 /nfs/dbraw/zinc/72/72/70/1131727270.db2.gz QQAAHCWPIUIZRP-IBGZPJMESA-N 0 3 276.383 3.694 20 30 CHEDHN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077687 1131769898 /nfs/dbraw/zinc/76/98/98/1131769898.db2.gz VSWICFMOZHRSAQ-JHJVBQTASA-N 0 3 282.343 3.830 20 30 CHEDHN C[C@@H]1CCCN(Cc2cc(C#N)ccc2Cl)[C@H]1C ZINC001140601114 1131820257 /nfs/dbraw/zinc/82/02/57/1131820257.db2.gz HGVVSSMLJHFCQA-NEPJUHHUSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@H]1CCCCCN1Cc1cc(C#N)ccc1Cl ZINC001140601290 1131820667 /nfs/dbraw/zinc/82/06/67/1131820667.db2.gz LWNWDEUWTUJWSH-LBPRGKRZSA-N 0 3 262.784 3.976 20 30 CHEDHN C[C@@H]1CCCCCN1Cc1cc(C#N)ccc1Cl ZINC001140601289 1131820705 /nfs/dbraw/zinc/82/07/05/1131820705.db2.gz LWNWDEUWTUJWSH-GFCCVEGCSA-N 0 3 262.784 3.976 20 30 CHEDHN CCC(CC)N(C)Cc1cc(C#N)ccc1Cl ZINC001140602081 1131822522 /nfs/dbraw/zinc/82/25/22/1131822522.db2.gz CNUVPMLUWDDJNO-UHFFFAOYSA-N 0 3 250.773 3.832 20 30 CHEDHN N#CC(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)c1nccc2ccccc21 ZINC000835347859 1131823761 /nfs/dbraw/zinc/82/37/61/1131823761.db2.gz DOZZTGLMLIIIFW-YQFWSFKMSA-N 0 3 290.366 3.847 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc(CO)o1 ZINC001140682090 1131859452 /nfs/dbraw/zinc/85/94/52/1131859452.db2.gz VBPDONXJKWDNSY-UHFFFAOYSA-N 0 3 253.386 3.564 20 30 CHEDHN N#Cc1c(F)cc(CN2CCCCCCCC2)cc1F ZINC001140756890 1131908145 /nfs/dbraw/zinc/90/81/45/1131908145.db2.gz RSFIACOPIOPJMH-UHFFFAOYSA-N 0 3 278.346 3.993 20 30 CHEDHN CC[C@@H]1CCCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140810133 1131931840 /nfs/dbraw/zinc/93/18/40/1131931840.db2.gz VZMHACREZIYOHM-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN C[C@@H]1[C@@H](C)CCCN1Cc1cccc(C#N)c1Cl ZINC001140811399 1131932795 /nfs/dbraw/zinc/93/27/95/1131932795.db2.gz RSXHWULNFOPHBV-NWDGAFQWSA-N 0 3 262.784 3.832 20 30 CHEDHN N#Cc1c(N)sc(CN2CCCCCCC2)c1Cl ZINC001141114444 1132021294 /nfs/dbraw/zinc/02/12/94/1132021294.db2.gz OZJVXDCEBWORJN-UHFFFAOYSA-N 0 3 283.828 3.621 20 30 CHEDHN CCCCN(CCC)Cc1sc(N)c(C#N)c1Cl ZINC001141111911 1132021722 /nfs/dbraw/zinc/02/17/22/1132021722.db2.gz IGOHJHQAYNNCRX-UHFFFAOYSA-N 0 3 285.844 3.867 20 30 CHEDHN CC1(C)CCc2cc(CN3CCC[C@H](C#N)CC3)ccc2O1 ZINC001141183488 1132036661 /nfs/dbraw/zinc/03/66/61/1132036661.db2.gz JGGUOKWJDPFXCB-HNNXBMFYSA-N 0 3 298.430 3.916 20 30 CHEDHN Cc1ccc(CC[C@H](C)NCC2(C#N)CCCC2)cc1 ZINC001171656136 1132068554 /nfs/dbraw/zinc/06/85/54/1132068554.db2.gz UUSHSVKJUWMETK-INIZCTEOSA-N 0 3 270.420 3.990 20 30 CHEDHN C[C@@H](C#N)OCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000839127801 1132182389 /nfs/dbraw/zinc/18/23/89/1132182389.db2.gz YMGLXGKMZQHMNK-DOTOQJQBSA-N 0 3 284.403 3.532 20 30 CHEDHN C[N@H+](CCC1(C#N)CCCCC1)Cc1ccccc1[O-] ZINC000839516684 1132220199 /nfs/dbraw/zinc/22/01/99/1132220199.db2.gz LZQHHXIFSYXCOL-UHFFFAOYSA-N 0 3 272.392 3.688 20 30 CHEDHN C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccccc1[O-] ZINC000839516684 1132220205 /nfs/dbraw/zinc/22/02/05/1132220205.db2.gz LZQHHXIFSYXCOL-UHFFFAOYSA-N 0 3 272.392 3.688 20 30 CHEDHN C[C@@H](CCCC#N)NCc1c(F)cccc1Cl ZINC001172479638 1132227466 /nfs/dbraw/zinc/22/74/66/1132227466.db2.gz IXQLJFJMTRQKJU-JTQLQIEISA-N 0 3 254.736 3.651 20 30 CHEDHN C[C@@H](CCCC#N)N1CCSC[C@@H]1c1ccc(F)cc1 ZINC001172499560 1132250275 /nfs/dbraw/zinc/25/02/75/1132250275.db2.gz DUGWOELMOUCIRR-XJKSGUPXSA-N 0 3 292.423 3.998 20 30 CHEDHN CCCCCCCC[C@@H](CC)n1cc(CN)c(C)nc1=N ZINC001172506033 1132254491 /nfs/dbraw/zinc/25/44/91/1132254491.db2.gz ZQVSCGGIKPQTJW-MRXNPFEDSA-N 0 3 292.471 3.831 20 30 CHEDHN CCCCCCCC[C@@H](CC)N1C[C@H]2C[C@@H](C1)O2 ZINC001172505320 1132254908 /nfs/dbraw/zinc/25/49/08/1132254908.db2.gz LUYBCWFSRQUJNQ-OAGGEKHMSA-N 0 3 253.430 3.989 20 30 CHEDHN N=C(N[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc(Cl)cn1 ZINC001172552033 1132263412 /nfs/dbraw/zinc/26/34/12/1132263412.db2.gz VLDUEDGUKWLWNU-UKRRQHHQSA-N 0 3 299.805 3.777 20 30 CHEDHN C[C@H](Cc1ccc(F)cc1Cl)NCc1cc(C#N)co1 ZINC001172865485 1132329703 /nfs/dbraw/zinc/32/97/03/1132329703.db2.gz NFDDVGMYMDWOHH-SNVBAGLBSA-N 0 3 292.741 3.665 20 30 CHEDHN C[C@@H](Cc1ccc(F)cc1Cl)N1CCC(S)CC1 ZINC001172870137 1132350212 /nfs/dbraw/zinc/35/02/12/1132350212.db2.gz ULORHINPDGKWOP-JTQLQIEISA-N 0 3 287.831 3.804 20 30 CHEDHN CC1(C)CCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232117533 1132425638 /nfs/dbraw/zinc/42/56/38/1132425638.db2.gz BZFRZPQLPBZIEK-UHFFFAOYSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCCN(Cc1cn(C)nc1C1CC1)Cc1ccccc1 ZINC001232171134 1132429981 /nfs/dbraw/zinc/42/99/81/1132429981.db2.gz JVITXIBMIXTJOZ-UHFFFAOYSA-N 0 3 295.430 3.876 20 30 CHEDHN C=C(C)CN(CC)Cc1cccn1Cc1ccccc1 ZINC001232238326 1132442287 /nfs/dbraw/zinc/44/22/87/1132442287.db2.gz KDLPAPUUMIZMOG-UHFFFAOYSA-N 0 3 268.404 3.934 20 30 CHEDHN C=C(C)CN(CC)Cc1cnc(Br)cc1C ZINC001232317435 1132452782 /nfs/dbraw/zinc/45/27/82/1132452782.db2.gz QOPZMURZGHPANI-UHFFFAOYSA-N 0 3 283.213 3.551 20 30 CHEDHN C=CCN(Cc1cnc(Br)cc1C)C(C)(C)C ZINC001232317840 1132453201 /nfs/dbraw/zinc/45/32/01/1132453201.db2.gz BTLPJCCCEZBFBQ-UHFFFAOYSA-N 0 3 297.240 3.939 20 30 CHEDHN CN(Cc1ccsc1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142920798 1132477599 /nfs/dbraw/zinc/47/75/99/1132477599.db2.gz CDEZJUYQCNZXHR-UHFFFAOYSA-N 0 3 281.384 3.733 20 30 CHEDHN C#CCN(CC#C)[C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173551646 1132494268 /nfs/dbraw/zinc/49/42/68/1132494268.db2.gz UCRMQIORIQPNNZ-CYBMUJFWSA-N 0 3 294.225 3.883 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc2nccn2c1 ZINC001143029405 1132495165 /nfs/dbraw/zinc/49/51/65/1132495165.db2.gz YEGVAQFJVKEVDL-UHFFFAOYSA-N 0 3 291.398 3.913 20 30 CHEDHN CC1(C#N)CCC(n2nc(-c3ccccc3)cc2CN)CC1 ZINC001173584942 1132495398 /nfs/dbraw/zinc/49/53/98/1132495398.db2.gz SPGWOEGJKLWCHW-UHFFFAOYSA-N 0 3 294.402 3.654 20 30 CHEDHN CC1(C#N)CCC(N2Cc3cccc(F)c3C2)CC1 ZINC001173599142 1132500014 /nfs/dbraw/zinc/50/00/14/1132500014.db2.gz GGNPEEAIVXDVCO-UHFFFAOYSA-N 0 3 258.340 3.614 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CC[C@@H](F)C3)CC2)s1 ZINC001232844886 1132529099 /nfs/dbraw/zinc/52/90/99/1132529099.db2.gz ATJLBWXLHJPMAP-GFCCVEGCSA-N 0 3 278.396 3.724 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCCC[C@](C)(F)C1 ZINC001233080088 1132570165 /nfs/dbraw/zinc/57/01/65/1132570165.db2.gz DBKYZXXSMDGXOZ-INIZCTEOSA-N 0 3 260.356 3.581 20 30 CHEDHN C=CCN(Cc1cnc2cccc(Cl)n12)C(C)(C)C ZINC001233359522 1132609563 /nfs/dbraw/zinc/60/95/63/1132609563.db2.gz ABZLFBVBLAGWOC-UHFFFAOYSA-N 0 3 277.799 3.774 20 30 CHEDHN CN(C)Cc1ccccc1Nc1c(F)cc(F)cc1C#N ZINC001173931217 1132644887 /nfs/dbraw/zinc/64/48/87/1132644887.db2.gz XLJBORHPXUSUIO-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN CN(C)Cc1ccccc1Nc1c(C#N)ccc(F)c1F ZINC001173931182 1132645161 /nfs/dbraw/zinc/64/51/61/1132645161.db2.gz WYDJMKNGXCAAOS-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN Cc1cccc(C#N)c1Nc1ccccc1CN(C)C ZINC001173932549 1132645688 /nfs/dbraw/zinc/64/56/88/1132645688.db2.gz RTSKANRROABCBV-UHFFFAOYSA-N 0 3 265.360 3.672 20 30 CHEDHN C=CCCCCCCCCN1CCC(F)(F)[C@H](N)C1 ZINC001206654301 1132650538 /nfs/dbraw/zinc/65/05/38/1132650538.db2.gz AZIYWOIGNDRDTD-CQSZACIVSA-N 0 3 274.399 3.571 20 30 CHEDHN CCCCCCCCN(C)Cc1ccc2c(n1)OCCO2 ZINC001233869533 1132691448 /nfs/dbraw/zinc/69/14/48/1132691448.db2.gz VNKSGUHBGLDGQP-UHFFFAOYSA-N 0 3 292.423 3.645 20 30 CHEDHN Cc1cnccc1Nc1c(Cl)cc(Cl)cc1C#N ZINC001174539602 1132900088 /nfs/dbraw/zinc/90/00/88/1132900088.db2.gz MOKZUJYGJWQWDU-UHFFFAOYSA-N 0 3 278.142 3.734 20 30 CHEDHN CC(C)[Si](C#CNCc1cnn(C)c1)(C(C)C)C(C)C ZINC001161853364 1133036689 /nfs/dbraw/zinc/03/66/89/1133036689.db2.gz YAZZYIPFZIMGOX-UHFFFAOYSA-N 0 3 291.515 3.689 20 30 CHEDHN C=CCCC(C)(C)CNCc1snc(OC)c1Cl ZINC001203339554 1133316297 /nfs/dbraw/zinc/31/62/97/1133316297.db2.gz OKACBNZQODMKHW-UHFFFAOYSA-N 0 3 288.844 3.887 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(OC)c(OC)c1OC ZINC001203469974 1133330788 /nfs/dbraw/zinc/33/07/88/1133330788.db2.gz SJOJSZUPHVRLKI-UHFFFAOYSA-N 0 3 293.407 3.501 20 30 CHEDHN COc1ccc(CN(C)Cc2cccc(C#N)c2)c(C)c1C ZINC001203723589 1133358114 /nfs/dbraw/zinc/35/81/14/1133358114.db2.gz LISUXNSUVWGLRU-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(N(CC)CC)cc1 ZINC001203942084 1133388812 /nfs/dbraw/zinc/38/88/12/1133388812.db2.gz KQZRXQXFWLRFFD-UHFFFAOYSA-N 0 3 258.409 3.707 20 30 CHEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC001204016866 1133399824 /nfs/dbraw/zinc/39/98/24/1133399824.db2.gz KLILPNKTTZHQML-MRXNPFEDSA-N 0 3 298.411 3.663 20 30 CHEDHN C=CCOc1ccc(CN2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001204297669 1133430729 /nfs/dbraw/zinc/43/07/29/1133430729.db2.gz MVPNLLHVFDAIMY-HNNXBMFYSA-N 0 3 299.336 3.821 20 30 CHEDHN CCCOc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001204306781 1133433805 /nfs/dbraw/zinc/43/38/05/1133433805.db2.gz ABNUFMQFDMVVSZ-HNNXBMFYSA-N 0 3 272.392 3.601 20 30 CHEDHN C#Cc1ccc(CN(CC=C)Cc2ccc(OC)cc2)cc1 ZINC001204374356 1133441033 /nfs/dbraw/zinc/44/10/33/1133441033.db2.gz IZOVYPKLLZFKJU-UHFFFAOYSA-N 0 3 291.394 3.865 20 30 CHEDHN C=CCN(Cc1ccccc1C#N)C1CCCCC1 ZINC001204373499 1133441987 /nfs/dbraw/zinc/44/19/87/1133441987.db2.gz VNVCXTPWCYXJRY-UHFFFAOYSA-N 0 3 254.377 3.879 20 30 CHEDHN C#CCN(CC#C)CCCCc1cccc(C(F)(F)F)c1 ZINC001204648680 1133470740 /nfs/dbraw/zinc/47/07/40/1133470740.db2.gz UQXLGMUGZCZKCO-UHFFFAOYSA-N 0 3 293.332 3.597 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccc2c(c1)CCCC2 ZINC001205236970 1133548556 /nfs/dbraw/zinc/54/85/56/1133548556.db2.gz FGXCPUDUMURUFL-KDOFPFPSSA-N 0 3 270.420 3.778 20 30 CHEDHN CCN(Cc1cccc(OC)c1)Cc1ccc(F)c(C#N)c1 ZINC001205493634 1133582184 /nfs/dbraw/zinc/58/21/84/1133582184.db2.gz FZESFIARODYQLU-UHFFFAOYSA-N 0 3 298.361 3.728 20 30 CHEDHN N#Cc1c(F)cccc1CNCCc1ccc2[nH]ccc2c1 ZINC001205503846 1133584175 /nfs/dbraw/zinc/58/41/75/1133584175.db2.gz KZZGCFZIJCBRBC-UHFFFAOYSA-N 0 3 293.345 3.511 20 30 CHEDHN C=C(CN1CCCC1)c1nc(-c2ccc3occc3c2)no1 ZINC001206094454 1133656469 /nfs/dbraw/zinc/65/64/69/1133656469.db2.gz MRECDKLSKPULMP-UHFFFAOYSA-N 0 3 295.342 3.592 20 30 CHEDHN CCCCCCCCCN1CC[C@@](N)(C(F)(F)F)C1 ZINC001206212529 1133670914 /nfs/dbraw/zinc/67/09/14/1133670914.db2.gz RYSCQHGEEDPUBF-ZDUSSCGKSA-N 0 3 280.378 3.703 20 30 CHEDHN CCCCCCCCCN1CC[C@](N)(C(F)(F)F)C1 ZINC001206212527 1133671059 /nfs/dbraw/zinc/67/10/59/1133671059.db2.gz RYSCQHGEEDPUBF-CYBMUJFWSA-N 0 3 280.378 3.703 20 30 CHEDHN CCO[C@H]1C[C@H](NCC2(C#N)CCCC2)C12CCCCC2 ZINC001206517590 1133713032 /nfs/dbraw/zinc/71/30/32/1133713032.db2.gz XDVAGHWKGWTHIC-HOTGVXAUSA-N 0 3 290.451 3.788 20 30 CHEDHN C#CCN(C)CC(C)(C)Sc1ccc(Cl)cc1 ZINC001207297075 1133791045 /nfs/dbraw/zinc/79/10/45/1133791045.db2.gz QNEBKJDXRSVFGJ-UHFFFAOYSA-N 0 3 267.825 3.776 20 30 CHEDHN C=CCCCN(CC)Cc1ccc(OC)cc1F ZINC001207735731 1133844221 /nfs/dbraw/zinc/84/42/21/1133844221.db2.gz PEXJQCFPBCUNNE-UHFFFAOYSA-N 0 3 251.345 3.622 20 30 CHEDHN N#Cc1ccc(CCCN2CCc3cc(F)ccc3C2)cc1 ZINC001208863635 1133955133 /nfs/dbraw/zinc/95/51/33/1133955133.db2.gz APTKVQNEWYQHOQ-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN CCC(=O)C(C)(C)CN1CCC(C#N)(c2ccccc2)CC1 ZINC001208916394 1133961992 /nfs/dbraw/zinc/96/19/92/1133961992.db2.gz ROSRAKBVVKNWKA-UHFFFAOYSA-N 0 3 298.430 3.549 20 30 CHEDHN C=CCCCCCCN1CC(N2CCC(F)(F)CC2)C1 ZINC001209436603 1134021061 /nfs/dbraw/zinc/02/10/61/1134021061.db2.gz WDYGKRIJRONBRR-UHFFFAOYSA-N 0 3 286.410 3.538 20 30 CHEDHN C=CCCCCCCCCN1CCc2c(ncn2C)C1 ZINC001209445242 1134023711 /nfs/dbraw/zinc/02/37/11/1134023711.db2.gz HVZSEWLTULQAQS-UHFFFAOYSA-N 0 3 275.440 3.695 20 30 CHEDHN Cc1ccc2[nH]cc(CN(C)Cc3cccc(C#N)c3)c2c1 ZINC001209500729 1134029708 /nfs/dbraw/zinc/02/97/08/1134029708.db2.gz ZKZLDUJQFHXDTI-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209655332 1134047266 /nfs/dbraw/zinc/04/72/66/1134047266.db2.gz USWOGBBPIRKINO-LBPRGKRZSA-N 0 3 287.794 3.947 20 30 CHEDHN N#CCC1CCN(Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209724292 1134055183 /nfs/dbraw/zinc/05/51/83/1134055183.db2.gz YNHVQYJNWBTRCZ-UHFFFAOYSA-N 0 3 287.794 3.947 20 30 CHEDHN CN(C)[C@H]1CCOc2c(Nc3ccccc3C#N)cccc21 ZINC001210741755 1134288071 /nfs/dbraw/zinc/28/80/71/1134288071.db2.gz ADNCQVQIZMGSBQ-KRWDZBQOSA-N 0 3 293.370 3.687 20 30 CHEDHN Cc1cc(Nc2ccc3c(c2)CN(C)CC3)ccc1C#N ZINC001210808581 1134300589 /nfs/dbraw/zinc/30/05/89/1134300589.db2.gz QYHHNPRPGCTHPY-UHFFFAOYSA-N 0 3 277.371 3.598 20 30 CHEDHN C=C[C@H](O[C@H]1CNCc2ccccc21)c1ccccc1 ZINC001217940137 1135028105 /nfs/dbraw/zinc/02/81/05/1135028105.db2.gz AXJAZQSSGIJHIQ-ROUUACIJSA-N 0 3 265.356 3.775 20 30 CHEDHN F[C@H]1CNCC[C@@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001218066263 1135054027 /nfs/dbraw/zinc/05/40/27/1135054027.db2.gz KHDBLMGMPDHDEN-WMZOPIPTSA-N 0 3 298.361 3.516 20 30 CHEDHN CC(C)c1c(C#N)cccc1O[C@@H]1CNCc2ccccc21 ZINC001218493676 1135118133 /nfs/dbraw/zinc/11/81/33/1135118133.db2.gz VKVLFLBXDVPNKR-GOSISDBHSA-N 0 3 292.382 3.905 20 30 CHEDHN C=C(C)CCCO[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224280828 1135435519 /nfs/dbraw/zinc/43/55/19/1135435519.db2.gz DGYNJGIUWWKCQE-SJORKVTESA-N 0 3 288.435 3.980 20 30 CHEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)CCC(C)(C)C#N ZINC000157548984 260845578 /nfs/dbraw/zinc/84/55/78/260845578.db2.gz NIFCLUFOBAHIQW-NSHDSACASA-N 0 3 266.335 3.897 20 30 CHEDHN COC[C@H](N[C@@H](C)c1ccc(C#N)cc1Cl)C(C)C ZINC000574353426 335013234 /nfs/dbraw/zinc/01/32/34/335013234.db2.gz IOSSSMJYSPIPFM-NHYWBVRUSA-N 0 3 280.799 3.533 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1F ZINC000344878185 533107292 /nfs/dbraw/zinc/10/72/92/533107292.db2.gz PMVQHZBTESKHHF-AWEZNQCLSA-N 0 3 296.345 3.514 20 30 CHEDHN C=C(C)CN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000521425548 262327966 /nfs/dbraw/zinc/32/79/66/262327966.db2.gz CRJIYFFFWMWGNS-UHFFFAOYSA-N 0 3 259.393 3.723 20 30 CHEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)CCC2 ZINC000344709269 533297971 /nfs/dbraw/zinc/29/79/71/533297971.db2.gz RWFIDOVPMBABSD-QGZVFWFLSA-N 0 3 298.411 3.796 20 30 CHEDHN Cc1cc(CN2CCC(CC#N)CC2)cc2cccnc12 ZINC000334777938 533594315 /nfs/dbraw/zinc/59/43/15/533594315.db2.gz KSUOPGCDPHLOFR-UHFFFAOYSA-N 0 3 279.387 3.669 20 30 CHEDHN COc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341758488 130025254 /nfs/dbraw/zinc/02/52/54/130025254.db2.gz PVLHSVWIRKTPKF-IBGZPJMESA-N 0 3 292.382 3.734 20 30 CHEDHN Cc1ccccc1[C@@H](C)NCc1cccc(C#N)c1 ZINC000020126138 171009612 /nfs/dbraw/zinc/00/96/12/171009612.db2.gz JAAFNKIRFYNGCX-CQSZACIVSA-N 0 3 250.345 3.718 20 30 CHEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000334773862 225316443 /nfs/dbraw/zinc/31/64/43/225316443.db2.gz SUYPYTCLOSXNOX-BXUZGUMPSA-N 0 3 276.767 3.553 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C)c2ccccc2C1 ZINC000345117325 225426295 /nfs/dbraw/zinc/42/62/95/225426295.db2.gz DFMZBMGZBAFLAE-OAHLLOKOSA-N 0 3 291.398 3.571 20 30 CHEDHN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(C#N)cc2)C1 ZINC000336520883 227091474 /nfs/dbraw/zinc/09/14/74/227091474.db2.gz KQOVVBFLCGBSJU-KBXCAEBGSA-N 0 3 277.371 3.536 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccs1 ZINC000336615936 227182225 /nfs/dbraw/zinc/18/22/25/227182225.db2.gz XPCAWQZVDPZKOV-MRXNPFEDSA-N 0 3 268.385 3.787 20 30 CHEDHN N#Cc1csc(CN[C@H]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000352843727 227318437 /nfs/dbraw/zinc/31/84/37/227318437.db2.gz CJBJXUYEYYNZPM-CABCVRRESA-N 0 3 297.427 3.516 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000418098970 228048072 /nfs/dbraw/zinc/04/80/72/228048072.db2.gz MPHRLRGBNAKKKH-LJQANCHMSA-N 0 3 292.382 3.602 20 30 CHEDHN CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353262773 228076095 /nfs/dbraw/zinc/07/60/95/228076095.db2.gz IXUYPCNYZJBNOG-RBUKOAKNSA-N 0 3 292.382 3.523 20 30 CHEDHN Cc1[nH]cnc1CC(=O)N[C@H]1CCCCC12CCCC2 ZINC000330266550 228085099 /nfs/dbraw/zinc/08/50/99/228085099.db2.gz AFNPTGILHQHBMV-AWEZNQCLSA-N 0 3 275.396 3.720 20 30 CHEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CC2 ZINC000336146394 228197524 /nfs/dbraw/zinc/19/75/24/228197524.db2.gz VLCMRNFHVRZHSN-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN C[C@@H](NCc1cccc(F)c1)c1cccc(C#N)c1 ZINC000037246991 260078416 /nfs/dbraw/zinc/07/84/16/260078416.db2.gz JJRZLRBEIYUAQH-GFCCVEGCSA-N 0 3 254.308 3.548 20 30 CHEDHN C=CCN(CC1CCCCC1)[C@@H](C)c1cnccn1 ZINC000299268799 260178398 /nfs/dbraw/zinc/17/83/98/260178398.db2.gz LYAMQIZIVQVFAQ-AWEZNQCLSA-N 0 3 259.397 3.606 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)s1 ZINC000309839333 260194152 /nfs/dbraw/zinc/19/41/52/260194152.db2.gz CJDDFKAHRFDPLT-OPRDCNLKSA-N 0 3 299.237 3.853 20 30 CHEDHN CC[C@H](C)[C@H](C)NCc1ccc(Br)cc1C#N ZINC000310310479 260212633 /nfs/dbraw/zinc/21/26/33/260212633.db2.gz TUTFVRLILQJQHF-QWRGUYRKSA-N 0 3 295.224 3.845 20 30 CHEDHN Cc1cnc([C@H](C)NCCCCC(C)(C)C#N)s1 ZINC000235507020 260282884 /nfs/dbraw/zinc/28/28/84/260282884.db2.gz ZFLLOILIHYFJNU-LBPRGKRZSA-N 0 3 265.426 3.822 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H](C)c1ccncc1OC ZINC000449267761 260333966 /nfs/dbraw/zinc/33/39/66/260333966.db2.gz BGTLGVLCXAJUKW-UONOGXRCSA-N 0 3 262.397 3.876 20 30 CHEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000130426069 260395500 /nfs/dbraw/zinc/39/55/00/260395500.db2.gz YOMPBGXUAFQHDP-XJKSGUPXSA-N 0 3 272.392 3.577 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc(Oc2cnccn2)cc1 ZINC000426570386 260865909 /nfs/dbraw/zinc/86/59/09/260865909.db2.gz KOVOVVOXYWJODQ-MRXNPFEDSA-N 0 3 295.386 3.809 20 30 CHEDHN C=CCCCCCN(C)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000159187343 260913541 /nfs/dbraw/zinc/91/35/41/260913541.db2.gz NNZRUGYSKUMGKK-WBVHZDCISA-N 0 3 288.435 3.527 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000187785546 260922242 /nfs/dbraw/zinc/92/22/42/260922242.db2.gz KSPALVKMGDEAPD-BBRMVZONSA-N 0 3 281.346 3.741 20 30 CHEDHN Cc1cc(CNCCOC2CCCCCC2)ccc1C#N ZINC000444002953 260945611 /nfs/dbraw/zinc/94/56/11/260945611.db2.gz QERDBWGDOVNPAM-UHFFFAOYSA-N 0 3 286.419 3.696 20 30 CHEDHN CN(CCCC(C)(C)C#N)Cc1cc(F)cc(F)c1 ZINC000444689877 261070665 /nfs/dbraw/zinc/07/06/65/261070665.db2.gz HSYOXLLYTCCNPP-UHFFFAOYSA-N 0 3 266.335 3.727 20 30 CHEDHN C[C@H](c1ccccc1)N(C)Cc1ccc(C#N)cc1 ZINC000302735353 261355081 /nfs/dbraw/zinc/35/50/81/261355081.db2.gz GQXWHMAGDYKJJI-CQSZACIVSA-N 0 3 250.345 3.751 20 30 CHEDHN CCN(Cc1ccc(Br)cc1C#N)CC1CC1 ZINC000310357973 262146854 /nfs/dbraw/zinc/14/68/54/262146854.db2.gz IWRPYGCLZZLVPM-UHFFFAOYSA-N 0 3 293.208 3.553 20 30 CHEDHN CC[C@@H](CC#N)NC[C@@H](C)c1cccc(Cl)c1 ZINC000188486983 262157388 /nfs/dbraw/zinc/15/73/88/262157388.db2.gz NPTVDVGQJYTIPN-RISCZKNCSA-N 0 3 250.773 3.725 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2N2CCCCC2)C1 ZINC000193272028 262219267 /nfs/dbraw/zinc/21/92/67/262219267.db2.gz OARKOXLYNCDRNP-FUHWJXTLSA-N 0 3 297.446 3.849 20 30 CHEDHN N#CCCCN[C@@H](c1cccnc1)C1CCCCC1 ZINC000364566578 262254210 /nfs/dbraw/zinc/25/42/10/262254210.db2.gz WLNRQVXKAPMPBS-MRXNPFEDSA-N 0 3 257.381 3.596 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2cc(Br)cs2)C1 ZINC000185783941 262308722 /nfs/dbraw/zinc/30/87/22/262308722.db2.gz JZHIOKGYHIYQKK-KOLCDFICSA-N 0 3 299.237 3.683 20 30 CHEDHN C=CCCN[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000338571168 262547177 /nfs/dbraw/zinc/54/71/77/262547177.db2.gz OUADVYZVROMCEE-INIZCTEOSA-N 0 3 275.392 3.544 20 30 CHEDHN COc1cc(C)c([C@H](C)NCC(C)(C)CC#N)cc1OC ZINC000414167162 262820180 /nfs/dbraw/zinc/82/01/80/262820180.db2.gz OTKZGCLXTYTCSN-ZDUSSCGKSA-N 0 3 290.407 3.603 20 30 CHEDHN Cc1cc(N2CCC(C)(C#N)CC2)c2ccccc2n1 ZINC000272402292 263003923 /nfs/dbraw/zinc/00/39/23/263003923.db2.gz BDGVUGZQFOLKHI-UHFFFAOYSA-N 0 3 265.360 3.673 20 30 CHEDHN CC[C@H](c1ccc(F)cc1)N1CCC(C)(C#N)CC1 ZINC000272534222 263006001 /nfs/dbraw/zinc/00/60/01/263006001.db2.gz IXLZYXBQJFOCBD-OAHLLOKOSA-N 0 3 260.356 3.902 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000274358485 263023295 /nfs/dbraw/zinc/02/32/95/263023295.db2.gz MNLXPZNZXYATCC-FZMZJTMJSA-N 0 3 284.325 3.918 20 30 CHEDHN Cc1cc([C@H](N[C@H]2CC[C@@H](C#N)C2)C2CC2)ccc1F ZINC000274594052 263027129 /nfs/dbraw/zinc/02/71/29/263027129.db2.gz FXIAYCNWFNNVQH-ISTRZQFTSA-N 0 3 272.367 3.867 20 30 CHEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc(F)ccc1F ZINC000274618292 263027841 /nfs/dbraw/zinc/02/78/41/263027841.db2.gz LOTOSGJOYXXJDK-HCKVZZMMSA-N 0 3 264.319 3.698 20 30 CHEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc(F)ccc1F ZINC000274618296 263027906 /nfs/dbraw/zinc/02/79/06/263027906.db2.gz LOTOSGJOYXXJDK-WBIUFABUSA-N 0 3 264.319 3.698 20 30 CHEDHN CCc1ccc([C@@H](COC)NCCCCC(C)(C)C#N)o1 ZINC000278576122 263049239 /nfs/dbraw/zinc/04/92/39/263049239.db2.gz CJJKVSKAGZMBRI-OAHLLOKOSA-N 0 3 292.423 3.839 20 30 CHEDHN CO[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000278672759 263049667 /nfs/dbraw/zinc/04/96/67/263049667.db2.gz JGWKITJLQPZAJW-UHOFOFEASA-N 0 3 292.810 3.699 20 30 CHEDHN CC1=CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000280918114 263064944 /nfs/dbraw/zinc/06/49/44/263064944.db2.gz TUHWAPYBZAZQBY-UHFFFAOYSA-N 0 3 254.377 3.640 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281182158 263066995 /nfs/dbraw/zinc/06/69/95/263066995.db2.gz HTXPGDQFRLSYHY-ARFHVFGLSA-N 0 3 271.408 3.698 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2ccccc2o1 ZINC000282335175 263075883 /nfs/dbraw/zinc/07/58/83/263075883.db2.gz OKPWAGVGGRQWBK-MBNYWOFBSA-N 0 3 254.333 3.776 20 30 CHEDHN CCCCOc1ccc([C@H](C)NCCCC#N)cc1 ZINC000284068441 263085674 /nfs/dbraw/zinc/08/56/74/263085674.db2.gz ARZKLHJNJAZOMU-AWEZNQCLSA-N 0 3 260.381 3.820 20 30 CHEDHN Cc1cc2cc(CN[C@@H]3CCC[C@H](C#N)C3)ccc2[nH]1 ZINC000285544559 263093989 /nfs/dbraw/zinc/09/39/89/263093989.db2.gz DMFCSCKJAVVYAW-XJKSGUPXSA-N 0 3 267.376 3.648 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cccc(C2CC2)c1 ZINC000340312234 263109089 /nfs/dbraw/zinc/10/90/89/263109089.db2.gz IYZOISKEULJUSS-CQSZACIVSA-N 0 3 259.393 3.807 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](OC)C(C)C)c1ccco1 ZINC000353521551 263112948 /nfs/dbraw/zinc/11/29/48/263112948.db2.gz PZWYOKONJDDNGE-UKRRQHHQSA-N 0 3 251.370 3.548 20 30 CHEDHN C=CCC[C@H](NC[C@H](OC)C(C)C)c1ccco1 ZINC000353521552 263112964 /nfs/dbraw/zinc/11/29/64/263112964.db2.gz PZWYOKONJDDNGE-ZFWWWQNUSA-N 0 3 251.370 3.548 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000293061265 263137620 /nfs/dbraw/zinc/13/76/20/263137620.db2.gz LDTNTPZCVMPWEE-DOMZBBRYSA-N 0 3 290.357 3.836 20 30 CHEDHN COc1ccc2cc(CN(C)[C@H]3CC[C@@H](C#N)C3)ccc2c1 ZINC000293508083 263142522 /nfs/dbraw/zinc/14/25/22/263142522.db2.gz OCSGNQLYMMUIMQ-KDOFPFPSSA-N 0 3 294.398 3.972 20 30 CHEDHN C=CCC[C@@H](CC)N[C@@H](C)c1ncc(Br)cn1 ZINC000340432216 263143462 /nfs/dbraw/zinc/14/34/62/263143462.db2.gz LRMOMRBOSPQZJB-CMPLNLGQSA-N 0 3 298.228 3.635 20 30 CHEDHN Cc1cccc(C2=CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000293681970 263146608 /nfs/dbraw/zinc/14/66/08/263146608.db2.gz BBMRVZQDXBYWSG-YJBOKZPZSA-N 0 3 266.388 3.776 20 30 CHEDHN Cc1cccc(C2=CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000293681966 263146671 /nfs/dbraw/zinc/14/66/71/263146671.db2.gz BBMRVZQDXBYWSG-QAPCUYQASA-N 0 3 266.388 3.776 20 30 CHEDHN C=C(CNCc1cccc2c1OCCCO2)c1ccccc1 ZINC000340437565 263147397 /nfs/dbraw/zinc/14/73/97/263147397.db2.gz WPJFMEKSBRFXIQ-UHFFFAOYSA-N 0 3 295.382 3.651 20 30 CHEDHN CCCOc1ccc2c(c1)CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000293904195 263152281 /nfs/dbraw/zinc/15/22/81/263152281.db2.gz WHJMNKHFYZSVHL-WMLDXEAASA-N 0 3 284.403 3.526 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2nc(-c3ccccc3)cs2)C1 ZINC000294964837 263170314 /nfs/dbraw/zinc/17/03/14/263170314.db2.gz FEVORESLHGWPTJ-ZFWWWQNUSA-N 0 3 297.427 3.982 20 30 CHEDHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC[C@@H](CC#N)C2)o1 ZINC000295075814 263172036 /nfs/dbraw/zinc/17/20/36/263172036.db2.gz PRPGLSBKYCAKDV-OSFYFWSMSA-N 0 3 258.365 3.575 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCc3sc(Cl)cc32)C1 ZINC000353576037 263182759 /nfs/dbraw/zinc/18/27/59/263182759.db2.gz MJZCNEGBNWKEBS-YWVKMMECSA-N 0 3 266.797 3.671 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000298739057 263225274 /nfs/dbraw/zinc/22/52/74/263225274.db2.gz BVEDWIAXNXICAC-GJZGRUSLSA-N 0 3 271.408 3.630 20 30 CHEDHN C[C@H](NC[C@H]1CCCC1(F)F)c1ccc(C#N)c(F)c1 ZINC000453312804 263227441 /nfs/dbraw/zinc/22/74/41/263227441.db2.gz CELPERCKMNFQTH-GXFFZTMASA-N 0 3 282.309 3.783 20 30 CHEDHN CC(C)Oc1cccc([C@H](C)N[C@H](C)CCC#N)c1 ZINC000299184672 263234451 /nfs/dbraw/zinc/23/44/51/263234451.db2.gz ADMAEIOPKAIQRR-KGLIPLIRSA-N 0 3 260.381 3.817 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000299697103 263252318 /nfs/dbraw/zinc/25/23/18/263252318.db2.gz OMAWZGUQHIVUQO-QWRGUYRKSA-N 0 3 268.307 3.631 20 30 CHEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(OC(F)F)cc1 ZINC000299714812 263253027 /nfs/dbraw/zinc/25/30/27/263253027.db2.gz RDANPWQWZGOZFH-WDEREUQCSA-N 0 3 268.307 3.631 20 30 CHEDHN CCOc1ccccc1[C@H](CC)N[C@@H](C)CCC#N ZINC000299727284 263254011 /nfs/dbraw/zinc/25/40/11/263254011.db2.gz VEMKRWMWHDLQKY-ZFWWWQNUSA-N 0 3 260.381 3.818 20 30 CHEDHN C=CC[C@@H](CO)CN[C@H](CC)c1ccccc1OC(F)F ZINC000341879448 263362452 /nfs/dbraw/zinc/36/24/52/263362452.db2.gz UVWIGYMFVNHNFV-TZMCWYRMSA-N 0 3 299.361 3.513 20 30 CHEDHN C=CC[C@H](CO)CN[C@H](CC)c1cc(Cl)ccc1OC ZINC000341878278 263362650 /nfs/dbraw/zinc/36/26/50/263362650.db2.gz MUZHVGXCHBIPPM-SWLSCSKDSA-N 0 3 297.826 3.574 20 30 CHEDHN N#Cc1csc(CNC[C@@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000342420802 263425634 /nfs/dbraw/zinc/42/56/34/263425634.db2.gz OFPDXLITBTVGFZ-RDJZCZTQSA-N 0 3 298.411 3.630 20 30 CHEDHN COCc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425365092 264211143 /nfs/dbraw/zinc/21/11/43/264211143.db2.gz IRYYGBMOLDJVQF-OAHLLOKOSA-N 0 3 294.398 3.898 20 30 CHEDHN C=CCC[C@H](NCc1ccn(C)c1)c1ccccc1 ZINC000160037117 264223827 /nfs/dbraw/zinc/22/38/27/264223827.db2.gz FMLLDTCQIUGZOO-KRWDZBQOSA-N 0 3 254.377 3.822 20 30 CHEDHN CSCc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000189474498 264302017 /nfs/dbraw/zinc/30/20/17/264302017.db2.gz OECBHLJFQNKLAE-UHFFFAOYSA-N 0 3 282.412 3.711 20 30 CHEDHN C=CCC[C@H](NCc1nc(C2CC2)cs1)C1CC1 ZINC000090458993 264395894 /nfs/dbraw/zinc/39/58/94/264395894.db2.gz CQXWUCSKQSEEND-ZDUSSCGKSA-N 0 3 262.422 3.855 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285738372 264559354 /nfs/dbraw/zinc/55/93/54/264559354.db2.gz RGECNRMPJLZKPW-HBNTYKKESA-N 0 3 254.324 3.611 20 30 CHEDHN Cc1sccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000294328968 265011699 /nfs/dbraw/zinc/01/16/99/265011699.db2.gz YLZVKALQIICMOD-NSHDSACASA-N 0 3 256.374 3.779 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000349847328 265210576 /nfs/dbraw/zinc/21/05/76/265210576.db2.gz DYRKMLAHMGWLNB-RDTXWAMCSA-N 0 3 277.371 3.530 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000349847327 265210664 /nfs/dbraw/zinc/21/06/64/265210664.db2.gz DYRKMLAHMGWLNB-KSSFIOAISA-N 0 3 277.371 3.530 20 30 CHEDHN Cc1cccc(C)c1CN(C)Cc1cccc(C#N)c1 ZINC000096811108 265385040 /nfs/dbraw/zinc/38/50/40/265385040.db2.gz GFGQNEMQDQFHRS-UHFFFAOYSA-N 0 3 264.372 3.807 20 30 CHEDHN Cc1cc(CN2CC3(CCC3)[C@H]2C2CC2)ccc1C#N ZINC000356283501 266087629 /nfs/dbraw/zinc/08/76/29/266087629.db2.gz OKTIJRQKZNOHRA-QGZVFWFLSA-N 0 3 266.388 3.631 20 30 CHEDHN Cc1ccc(C2CCN(Cc3cccc(C#N)c3)CC2)cn1 ZINC000361059173 266775990 /nfs/dbraw/zinc/77/59/90/266775990.db2.gz FMFYVCHFUHIYFL-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C#N)ccc2F)C1 ZINC000362383766 266976547 /nfs/dbraw/zinc/97/65/47/266976547.db2.gz BFZBMJNBISBPHK-HUUCEWRRSA-N 0 3 292.423 3.803 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000118395779 267251791 /nfs/dbraw/zinc/25/17/91/267251791.db2.gz SVQGLPGRKNJIGP-BBRMVZONSA-N 0 3 297.427 3.955 20 30 CHEDHN C=CCC[C@@H](NCc1cn(C)nc1C)c1ccccc1 ZINC000119225737 267311591 /nfs/dbraw/zinc/31/15/91/267311591.db2.gz YGKNBGDVDGHEBK-QGZVFWFLSA-N 0 3 269.392 3.526 20 30 CHEDHN C[C@@]1(c2ccccc2)CC[C@H](NCC2(C#N)CCC2)C1 ZINC000418144729 267366261 /nfs/dbraw/zinc/36/62/61/267366261.db2.gz VBZKKDACLLCFLG-DLBZAZTESA-N 0 3 268.404 3.780 20 30 CHEDHN C[C@H](CCc1ccccc1)CNCC1(C#N)CCC1 ZINC000418144946 267366536 /nfs/dbraw/zinc/36/65/36/267366536.db2.gz VZAKBSOOSHSPKO-OAHLLOKOSA-N 0 3 256.393 3.539 20 30 CHEDHN C[C@H](CNCC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000418137119 267370551 /nfs/dbraw/zinc/37/05/51/267370551.db2.gz DDURZLIEOWTCMK-GFCCVEGCSA-N 0 3 262.784 3.727 20 30 CHEDHN CCC(CC)(CCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305802308 268001373 /nfs/dbraw/zinc/00/13/73/268001373.db2.gz DVYSLQRVTWULPX-ZDUSSCGKSA-N 0 3 292.398 3.537 20 30 CHEDHN COc1cccc(F)c1[C@H](C)NCCCC(C)(C)C#N ZINC000179898378 327803444 /nfs/dbraw/zinc/80/34/44/327803444.db2.gz BCIJHOBSZGUMKI-LBPRGKRZSA-N 0 3 278.371 3.815 20 30 CHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 ZINC000185845533 327847773 /nfs/dbraw/zinc/84/77/73/327847773.db2.gz SXACRZXZJIOVKV-ZOBUZTSGSA-N 0 3 294.402 3.605 20 30 CHEDHN CC(C)Oc1ccccc1[C@H](C)N[C@H](C)CCC#N ZINC000563220109 327980329 /nfs/dbraw/zinc/98/03/29/327980329.db2.gz ORHJAHGIXAWQNG-KGLIPLIRSA-N 0 3 260.381 3.817 20 30 CHEDHN CC1(C#N)CCC(NCc2cc(F)ccc2F)CC1 ZINC000336222040 328005290 /nfs/dbraw/zinc/00/52/90/328005290.db2.gz FITCZXHMAJQLBC-UHFFFAOYSA-N 0 3 264.319 3.527 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCCOC1 ZINC000531765410 328031705 /nfs/dbraw/zinc/03/17/05/328031705.db2.gz VXHUOIUBHQSDDM-GFCCVEGCSA-N 0 3 285.840 3.816 20 30 CHEDHN CC1(C)CC[C@H]1NCc1ccc(Br)cc1C#N ZINC000310302879 328074022 /nfs/dbraw/zinc/07/40/22/328074022.db2.gz QTNVQMKEUSRRSC-CYBMUJFWSA-N 0 3 293.208 3.599 20 30 CHEDHN CCc1cccc(CNCc2ccc(CC#N)cc2)c1 ZINC000571333949 328109970 /nfs/dbraw/zinc/10/99/70/328109970.db2.gz SYHCBTJTZYEUAO-UHFFFAOYSA-N 0 3 264.372 3.605 20 30 CHEDHN C=C(C)COCCNCc1ccccc1OC1CCCC1 ZINC000531883770 328114450 /nfs/dbraw/zinc/11/44/50/328114450.db2.gz RTWRIKSFWGHAPD-UHFFFAOYSA-N 0 3 289.419 3.690 20 30 CHEDHN COCC1(CCN[C@@H](C)c2ccc(C#N)cc2Cl)CC1 ZINC000571642050 328168100 /nfs/dbraw/zinc/16/81/00/328168100.db2.gz YVEYZNWPMZEBFH-LBPRGKRZSA-N 0 3 292.810 3.679 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Br)s1 ZINC000336726957 328200694 /nfs/dbraw/zinc/20/06/94/328200694.db2.gz BVXZXIXNSGFGMF-VIFPVBQESA-N 0 3 299.237 3.855 20 30 CHEDHN CC(C)Oc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000274222185 328209674 /nfs/dbraw/zinc/20/96/74/328209674.db2.gz QENWCLULMYRSHR-ZBFHGGJFSA-N 0 3 272.392 3.646 20 30 CHEDHN CSc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000282510795 328242513 /nfs/dbraw/zinc/24/25/13/328242513.db2.gz YXXKEUZQNACCPN-MBNYWOFBSA-N 0 3 260.406 3.751 20 30 CHEDHN N#CC1CCN(CCn2ccc3cc(Cl)ccc32)CC1 ZINC000289541098 328255224 /nfs/dbraw/zinc/25/52/24/328255224.db2.gz CNBBZBDVOZBZDI-UHFFFAOYSA-N 0 3 287.794 3.530 20 30 CHEDHN N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000294998759 328284133 /nfs/dbraw/zinc/28/41/33/328284133.db2.gz ICXINCBRBUWDMK-GWCFXTLKSA-N 0 3 298.308 3.583 20 30 CHEDHN N#CCC[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000295787732 328287237 /nfs/dbraw/zinc/28/72/37/328287237.db2.gz RWHARSZXQGULAC-IRXDYDNUSA-N 0 3 284.403 3.723 20 30 CHEDHN C[C@]1(c2ccccc2)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000532038649 328396934 /nfs/dbraw/zinc/39/69/34/328396934.db2.gz MVYLXVMKUKZSJD-IBGZPJMESA-N 0 3 294.373 3.861 20 30 CHEDHN C=CC[C@@H](C)NCc1cc(Br)ccc1F ZINC000116927692 330361620 /nfs/dbraw/zinc/36/16/20/330361620.db2.gz ODVBDMWDMQLMBL-SECBINFHSA-N 0 3 272.161 3.642 20 30 CHEDHN C=CCCC[C@H](C)N(C)Cc1cc(Br)cn1C ZINC000536995411 330375328 /nfs/dbraw/zinc/37/53/28/330375328.db2.gz ITIRMMOWLGXQBE-LBPRGKRZSA-N 0 3 299.256 3.964 20 30 CHEDHN C=CCC[C@@H](O)CN(CC)Cc1ccc(Cl)s1 ZINC000121265486 330398847 /nfs/dbraw/zinc/39/88/47/330398847.db2.gz GEUVGSGLKNGDCO-LLVKDONJSA-N 0 3 273.829 3.551 20 30 CHEDHN N#Cc1ccccc1OCCNC1(c2ccccc2)CCC1 ZINC000533487006 326841219 /nfs/dbraw/zinc/84/12/19/326841219.db2.gz KZNRWXCOBZRCHK-UHFFFAOYSA-N 0 3 292.382 3.606 20 30 CHEDHN Cc1ccccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000037719031 326859404 /nfs/dbraw/zinc/85/94/04/326859404.db2.gz UPMOFGBLBZFUMY-OAHLLOKOSA-N 0 3 280.371 3.748 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cc(Cl)ccc1OCC ZINC000537952369 326879327 /nfs/dbraw/zinc/87/93/27/326879327.db2.gz CBFDPYBNBHRZDT-ZDUSSCGKSA-N 0 3 297.826 3.982 20 30 CHEDHN C=CCCCCCNCc1nccn1Cc1ccccc1 ZINC000565726856 327001137 /nfs/dbraw/zinc/00/11/37/327001137.db2.gz ZWEGRRLQZUOCDK-UHFFFAOYSA-N 0 3 283.419 3.767 20 30 CHEDHN CC[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833437 327025642 /nfs/dbraw/zinc/02/56/42/327025642.db2.gz VAKJVNWLJHWYJT-CQSZACIVSA-N 0 3 272.392 3.579 20 30 CHEDHN C=CCCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000558185285 327077632 /nfs/dbraw/zinc/07/76/32/327077632.db2.gz ZDLLFAXFWDEHDJ-AWEZNQCLSA-N 0 3 253.773 3.583 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccccc1OC(F)F ZINC000090883535 327101614 /nfs/dbraw/zinc/10/16/14/327101614.db2.gz IQAWZNTXUIKXCA-LBPRGKRZSA-N 0 3 285.334 3.531 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000090883763 327101747 /nfs/dbraw/zinc/10/17/47/327101747.db2.gz ZDGPEFVQKRJAFL-GFCCVEGCSA-N 0 3 285.334 3.531 20 30 CHEDHN C=CCOCCCN1CCC(c2cccc(F)c2F)CC1 ZINC000558701238 327115708 /nfs/dbraw/zinc/11/57/08/327115708.db2.gz BZTYDKZLOXTPJK-UHFFFAOYSA-N 0 3 295.373 3.737 20 30 CHEDHN N#CCCC1CCN(CCc2cccc(F)c2F)CC1 ZINC000569481378 327183871 /nfs/dbraw/zinc/18/38/71/327183871.db2.gz GBAXXZSXNZTZST-UHFFFAOYSA-N 0 3 278.346 3.523 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(Cl)cc3)C2)nc1 ZINC000583448781 327372619 /nfs/dbraw/zinc/37/26/19/327372619.db2.gz OTXHXRFQRVHLSL-HNNXBMFYSA-N 0 3 297.789 3.596 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CC2)s1 ZINC000561494526 327399680 /nfs/dbraw/zinc/39/96/80/327399680.db2.gz YGMVGQYXIIZUOT-INIZCTEOSA-N 0 3 286.375 4.000 20 30 CHEDHN C=CCN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000159871134 327572112 /nfs/dbraw/zinc/57/21/12/327572112.db2.gz HBHIQDNHJVHSEG-LLVKDONJSA-N 0 3 288.416 3.964 20 30 CHEDHN CCCC1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000391974706 328982669 /nfs/dbraw/zinc/98/26/69/328982669.db2.gz IWHRSWJWRRJMTE-UHFFFAOYSA-N 0 3 260.356 3.757 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000378140592 329041244 /nfs/dbraw/zinc/04/12/44/329041244.db2.gz NUWWNLXUARSJNV-KDOFPFPSSA-N 0 3 296.414 3.742 20 30 CHEDHN CC1(C)CN(Cc2cc(C#N)ccc2F)[C@H]2CCC[C@H]21 ZINC000393542604 329087348 /nfs/dbraw/zinc/08/73/48/329087348.db2.gz FNNCRSNPACNYDH-ZBFHGGJFSA-N 0 3 272.367 3.708 20 30 CHEDHN C=CCSCCN[C@H](C)c1ccc(F)c(F)c1 ZINC000173389239 329147759 /nfs/dbraw/zinc/14/77/59/329147759.db2.gz WMUNRKBHZVGLJZ-SNVBAGLBSA-N 0 3 257.349 3.535 20 30 CHEDHN C#CCCOc1ccc(CN[C@H](CC)c2ccncc2)cc1 ZINC000174436419 329158621 /nfs/dbraw/zinc/15/86/21/329158621.db2.gz LSEPALJTEXXLEI-LJQANCHMSA-N 0 3 294.398 3.725 20 30 CHEDHN C[C@H](CC(F)(F)F)N[C@H](C)c1cccc(C#N)c1 ZINC000224399315 329243434 /nfs/dbraw/zinc/24/34/34/329243434.db2.gz SUMWSWMTGMJKIL-NXEZZACHSA-N 0 3 256.271 3.550 20 30 CHEDHN CC(C)(C#N)CCCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183354274 329247225 /nfs/dbraw/zinc/24/72/25/329247225.db2.gz BTHIVZYEQSKSOV-MRXNPFEDSA-N 0 3 290.382 3.609 20 30 CHEDHN CCCC(=O)Nc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185781352 329331881 /nfs/dbraw/zinc/33/18/81/329331881.db2.gz MKNJVZWFNXXBJN-DOTOQJQBSA-N 0 3 299.418 3.597 20 30 CHEDHN C=CC[C@H](CC)NCc1csc(C(C)(C)C)n1 ZINC000393760882 329356616 /nfs/dbraw/zinc/35/66/16/329356616.db2.gz LENUFPYUKHYRAS-NSHDSACASA-N 0 3 252.427 3.885 20 30 CHEDHN Cc1nc2ccc(CNCC(C)(C)CC#N)cc2s1 ZINC000459725531 329372165 /nfs/dbraw/zinc/37/21/65/329372165.db2.gz CUQXSDNTABTYNA-UHFFFAOYSA-N 0 3 273.405 3.634 20 30 CHEDHN C[C@H](Cc1cccc(F)c1)N(C)Cc1cc(C#N)cs1 ZINC000459768558 329387528 /nfs/dbraw/zinc/38/75/28/329387528.db2.gz XMIVXPIWUWERTA-GFCCVEGCSA-N 0 3 288.391 3.822 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@H](CC(F)F)c2ccccc2)C1 ZINC000421378550 329817330 /nfs/dbraw/zinc/81/73/30/329817330.db2.gz VKGZMCMDTNIVJX-KWCYVHTRSA-N 0 3 264.319 3.665 20 30 CHEDHN COc1cc(CNCc2cccc(C#N)c2)ccc1SC ZINC000066971933 329850227 /nfs/dbraw/zinc/85/02/27/329850227.db2.gz NDAYJZLVAKTOKD-UHFFFAOYSA-N 0 3 298.411 3.579 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCOc3ccccc32)C1 ZINC000248862178 329901061 /nfs/dbraw/zinc/90/10/61/329901061.db2.gz PUXSIKXMMQYGPA-FMKPAKJESA-N 0 3 270.376 3.572 20 30 CHEDHN N#CCCCNCc1ccc(-c2ccccc2)cc1 ZINC000258996418 329968451 /nfs/dbraw/zinc/96/84/51/329968451.db2.gz YKHZRJHFJOKDES-UHFFFAOYSA-N 0 3 250.345 3.747 20 30 CHEDHN C=C(CN[C@H](C)c1cnn(C(C)C)c1)c1ccccc1 ZINC000268876201 330066610 /nfs/dbraw/zinc/06/66/10/330066610.db2.gz YVQWWRQUIWHLRV-OAHLLOKOSA-N 0 3 269.392 3.828 20 30 CHEDHN C#CC[C@H](NCc1cccc(OCC)c1O)c1ccccc1 ZINC000270187142 330073511 /nfs/dbraw/zinc/07/35/11/330073511.db2.gz KFVQENDNUSXIEF-KRWDZBQOSA-N 0 3 295.382 3.645 20 30 CHEDHN C#CCCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000270567378 330076345 /nfs/dbraw/zinc/07/63/45/330076345.db2.gz ZKDOPRPKJKFMJF-MRXNPFEDSA-N 0 3 295.430 3.820 20 30 CHEDHN CC[C@@H](NCc1cc(C)nc(C)c1)c1ccc(C#N)cc1 ZINC000421858110 330089846 /nfs/dbraw/zinc/08/98/46/330089846.db2.gz QGMBRRSWRGJJCL-GOSISDBHSA-N 0 3 279.387 3.811 20 30 CHEDHN COC1([C@@H](C)NCc2ccc(C#N)c(F)c2)CCCCC1 ZINC000421865712 330099060 /nfs/dbraw/zinc/09/90/60/330099060.db2.gz ZWLNTLZUGZQLJD-CYBMUJFWSA-N 0 3 290.382 3.525 20 30 CHEDHN CC(C)[C@@H](NCc1ccc(C#N)s1)c1cccnc1 ZINC000421878266 330101877 /nfs/dbraw/zinc/10/18/77/330101877.db2.gz LVSXEYCNEDNIAY-OAHLLOKOSA-N 0 3 271.389 3.502 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)s1 ZINC000421895034 330104809 /nfs/dbraw/zinc/10/48/09/330104809.db2.gz YIKSZGDYZIBTDT-INIZCTEOSA-N 0 3 283.400 3.646 20 30 CHEDHN C=CCCN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000275469078 330110105 /nfs/dbraw/zinc/11/01/05/330110105.db2.gz OEVKISOLRRSYEK-JTQLQIEISA-N 0 3 265.307 3.658 20 30 CHEDHN C=C(C)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278039202 330118931 /nfs/dbraw/zinc/11/89/31/330118931.db2.gz CDHASRMNIHGQBD-UHFFFAOYSA-N 0 3 299.336 3.877 20 30 CHEDHN C=CCC[C@H](N[C@H](C)Cc1cc(C)[nH]n1)c1ccco1 ZINC000278955955 330121089 /nfs/dbraw/zinc/12/10/89/330121089.db2.gz NJZAFVCAUTWXAR-DOMZBBRYSA-N 0 3 273.380 3.539 20 30 CHEDHN C=CCC[C@H](N[C@H](C)Cc1cc(C)n[nH]1)c1ccco1 ZINC000278955955 330121090 /nfs/dbraw/zinc/12/10/90/330121090.db2.gz NJZAFVCAUTWXAR-DOMZBBRYSA-N 0 3 273.380 3.539 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000424117050 330243725 /nfs/dbraw/zinc/24/37/25/330243725.db2.gz CGCGIMNNINQYIS-COPLHBTASA-N 0 3 293.208 3.792 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527905333 330289722 /nfs/dbraw/zinc/28/97/22/330289722.db2.gz NKVAQXUFSNYQMW-OAGGEKHMSA-N 0 3 295.785 3.790 20 30 CHEDHN Cc1cc2cc(CN[C@@H]3CC[C@H](C#N)C3)oc2cc1C ZINC000424191684 330323880 /nfs/dbraw/zinc/32/38/80/330323880.db2.gz HSKXHWUVJHMFCF-DZGCQCFKSA-N 0 3 268.360 3.832 20 30 CHEDHN CCC(CC)N(CC#Cc1ccc(F)cc1)C1CC1 ZINC000533010595 330324176 /nfs/dbraw/zinc/32/41/76/330324176.db2.gz DKBZDQTWLFCKFI-UHFFFAOYSA-N 0 3 259.368 3.830 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccccc3F)o2)C1 ZINC000424197758 330325981 /nfs/dbraw/zinc/32/59/81/330325981.db2.gz OOFAHYKJUNAJJP-QWHCGFSZSA-N 0 3 284.334 3.868 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCCC2)c(F)c1 ZINC000044352393 330329363 /nfs/dbraw/zinc/32/93/63/330329363.db2.gz YMBMKAICDQJVFT-KRWDZBQOSA-N 0 3 272.367 3.852 20 30 CHEDHN COc1cc(Cl)ccc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424322214 330340362 /nfs/dbraw/zinc/34/03/62/330340362.db2.gz IDHACGZOYBYGFW-NTZNESFSSA-N 0 3 278.783 3.691 20 30 CHEDHN CCCc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424330007 330341967 /nfs/dbraw/zinc/34/19/67/330341967.db2.gz PYKFIFZJAMMVHB-UKPHBRMFSA-N 0 3 256.393 3.982 20 30 CHEDHN CCCOc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424336659 330343349 /nfs/dbraw/zinc/34/33/49/330343349.db2.gz YCFQQZFBSCQOEN-IJEWVQPXSA-N 0 3 272.392 3.818 20 30 CHEDHN CC(C)(CC#N)CN[C@H](Cc1ccncc1)c1cccs1 ZINC000424336789 330343626 /nfs/dbraw/zinc/34/36/26/330343626.db2.gz QZBYJZXLQUIQKZ-OAHLLOKOSA-N 0 3 299.443 3.956 20 30 CHEDHN C[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1F ZINC000424337570 330343641 /nfs/dbraw/zinc/34/36/41/330343641.db2.gz ZNGQEQBHPOPPGM-FUEDEBDSSA-N 0 3 258.340 3.537 20 30 CHEDHN N#CCC1(CN[C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424357148 330346450 /nfs/dbraw/zinc/34/64/50/330346450.db2.gz WCDYPKCGBVLXMF-HNNXBMFYSA-N 0 3 297.427 3.710 20 30 CHEDHN N#Cc1ccc(CNC[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000533311719 330357097 /nfs/dbraw/zinc/35/70/97/330357097.db2.gz GRXASPWGQFBIHR-INIZCTEOSA-N 0 3 294.373 3.907 20 30 CHEDHN CCCN(CC)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000533324082 330357513 /nfs/dbraw/zinc/35/75/13/330357513.db2.gz LRVQXJSOCPKFMA-UHFFFAOYSA-N 0 3 285.309 3.669 20 30 CHEDHN C=C(C)CN1CCC(NC(=O)C[C@H](CC)CCCC)CC1 ZINC000117254638 330364305 /nfs/dbraw/zinc/36/43/05/330364305.db2.gz TURMQFXXPVBSFI-MRXNPFEDSA-N 0 3 294.483 3.750 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000119317274 330372848 /nfs/dbraw/zinc/37/28/48/330372848.db2.gz LGRRFZFQVJXKOX-IUCAKERBSA-N 0 3 272.161 3.813 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1cccc(Br)c1 ZINC000119362784 330373618 /nfs/dbraw/zinc/37/36/18/330373618.db2.gz UMGMZPBFEZDYGS-NXEZZACHSA-N 0 3 254.171 3.674 20 30 CHEDHN Cc1ccc(CSCCNCc2ccc(C#N)cc2)cc1 ZINC000057601279 330376846 /nfs/dbraw/zinc/37/68/46/330376846.db2.gz LSLLFKWRCGHVBM-UHFFFAOYSA-N 0 3 296.439 3.890 20 30 CHEDHN C=C(C)CNCc1cc(C)c(C)cc1OC(F)F ZINC000119617528 330377440 /nfs/dbraw/zinc/37/74/40/330377440.db2.gz RRNMMTVUZOVZEO-UHFFFAOYSA-N 0 3 255.308 3.571 20 30 CHEDHN C=C(C)CNCc1cc(Cl)cc(Cl)c1OC ZINC000119650328 330378210 /nfs/dbraw/zinc/37/82/10/330378210.db2.gz NFHKZUXMZZXEKA-UHFFFAOYSA-N 0 3 260.164 3.668 20 30 CHEDHN CCCCOCCN(Cc1ccc(C#N)cc1)C(C)C ZINC000058396961 330388525 /nfs/dbraw/zinc/38/85/25/330388525.db2.gz QUKHXJOLGXXCRQ-UHFFFAOYSA-N 0 3 274.408 3.585 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2ccccc2)C1 ZINC000120733951 330390816 /nfs/dbraw/zinc/39/08/16/330390816.db2.gz MOSMLDWZUUTALX-QGZVFWFLSA-N 0 3 292.382 3.556 20 30 CHEDHN C=CCCOCCNCc1c(OC)ccc2ccccc21 ZINC000120865101 330393115 /nfs/dbraw/zinc/39/31/15/330393115.db2.gz WYQBIKTVPTWSCG-UHFFFAOYSA-N 0 3 285.387 3.531 20 30 CHEDHN Cc1ccc2[nH]c(CNCC3(CC#N)CC3)cc2c1C ZINC000430006293 330557104 /nfs/dbraw/zinc/55/71/04/330557104.db2.gz OYHOROBCXMLJMY-UHFFFAOYSA-N 0 3 267.376 3.568 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(Cl)ccc1F ZINC000435737098 330661415 /nfs/dbraw/zinc/66/14/15/330661415.db2.gz DMTKGMYEKZSGRS-ABAIWWIYSA-N 0 3 283.774 3.550 20 30 CHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(F)cc1Cl ZINC000435741894 330661583 /nfs/dbraw/zinc/66/15/83/330661583.db2.gz RJMUSOMGLCRMOU-IUODEOHRSA-N 0 3 283.774 3.550 20 30 CHEDHN C=C[C@H](C)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000435780936 330662851 /nfs/dbraw/zinc/66/28/51/330662851.db2.gz YPDCTJUWQSJZOE-AWEZNQCLSA-N 0 3 267.376 3.514 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccc(Cl)cc1 ZINC000155638657 330691696 /nfs/dbraw/zinc/69/16/96/330691696.db2.gz RYTHCKPOEHNDCF-GFCCVEGCSA-N 0 3 253.773 3.583 20 30 CHEDHN COc1cccc(Cl)c1CNCC1CCC(C#N)CC1 ZINC000441334080 330765781 /nfs/dbraw/zinc/76/57/81/330765781.db2.gz BXIKFEKNQIRMQZ-UHFFFAOYSA-N 0 3 292.810 3.768 20 30 CHEDHN C=CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000443662501 330805095 /nfs/dbraw/zinc/80/50/95/330805095.db2.gz ZNFPUXYEIIYUPB-UHFFFAOYSA-N 0 3 290.410 3.560 20 30 CHEDHN CCc1ccc([C@@H](COC)NC2CCC(C)(C#N)CC2)o1 ZINC000449152526 330901945 /nfs/dbraw/zinc/90/19/45/330901945.db2.gz GFQMVTKONYAGIO-GNHJJJEISA-N 0 3 290.407 3.592 20 30 CHEDHN Cc1cnc([C@H](NC2CCC(C)(C#N)CC2)C2CC2)s1 ZINC000449171344 330903387 /nfs/dbraw/zinc/90/33/87/330903387.db2.gz TUMABYQHBWVUAZ-NPCAHTBFSA-N 0 3 289.448 3.965 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000449323341 330914525 /nfs/dbraw/zinc/91/45/25/330914525.db2.gz ULTXXOKUZQYXAI-DZGCQCFKSA-N 0 3 261.413 3.596 20 30 CHEDHN C=C(CC)CNCc1cnc(-c2ccccc2)s1 ZINC000449731521 330946114 /nfs/dbraw/zinc/94/61/14/330946114.db2.gz IUQGYHKNQFOZQW-UHFFFAOYSA-N 0 3 258.390 3.866 20 30 CHEDHN N#CCCCN1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451533176 331032824 /nfs/dbraw/zinc/03/28/24/331032824.db2.gz VLGMJZRUVGXLIR-UHFFFAOYSA-N 0 3 294.801 3.990 20 30 CHEDHN COc1cccc([C@H]2C[C@H](N(C)CCC(C)(C)C#N)C2)c1 ZINC000452024561 331050826 /nfs/dbraw/zinc/05/08/26/331050826.db2.gz YMEUMYNQIPWHJQ-WKILWMFISA-N 0 3 286.419 3.813 20 30 CHEDHN CCO[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1Cl ZINC000452034914 331051221 /nfs/dbraw/zinc/05/12/21/331051221.db2.gz MFSGDORVYPEVMR-IAGOWNOFSA-N 0 3 291.822 3.629 20 30 CHEDHN CCC1(NC(=O)C(C#N)CCc2ccccc2)CCCC1 ZINC000452962732 331081939 /nfs/dbraw/zinc/08/19/39/331081939.db2.gz WASNPODXNIFACF-MRXNPFEDSA-N 0 3 284.403 3.598 20 30 CHEDHN CCC1(NC(=O)C(C#N)CCc2ccccc2)CCCC1 ZINC000452962728 331081948 /nfs/dbraw/zinc/08/19/48/331081948.db2.gz WASNPODXNIFACF-INIZCTEOSA-N 0 3 284.403 3.598 20 30 CHEDHN C=CCCCC[C@H](C)NC1(C(=O)Nc2ccccc2)CC1 ZINC000453196412 331100256 /nfs/dbraw/zinc/10/02/56/331100256.db2.gz KUVVTGNWEDUHQP-HNNXBMFYSA-N 0 3 286.419 3.882 20 30 CHEDHN CC[C@@H](NCc1ccnc(C)c1)c1ccc(C#N)cc1 ZINC000453278994 331110373 /nfs/dbraw/zinc/11/03/73/331110373.db2.gz DGJNBVHPLLQKIR-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc2ccccc2n1 ZINC000453361206 331122548 /nfs/dbraw/zinc/12/25/48/331122548.db2.gz QLPZRXDBEMQXPX-VHSSKADRSA-N 0 3 282.387 3.619 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1SC ZINC000453374852 331124395 /nfs/dbraw/zinc/12/43/95/331124395.db2.gz WYZDSOVDOUADEZ-CFVMTHIKSA-N 0 3 277.433 3.793 20 30 CHEDHN CCn1cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000453376898 331124901 /nfs/dbraw/zinc/12/49/01/331124901.db2.gz PLIPNILQLZDCJT-UGSOOPFHSA-N 0 3 294.402 3.503 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000453380523 331125652 /nfs/dbraw/zinc/12/56/52/331125652.db2.gz ZYAGXEJTXOBKKP-MJBXVCDLSA-N 0 3 298.213 3.914 20 30 CHEDHN C=CCC1(CN[C@@H]2C[C@H](C)n3ccnc32)CCCC1 ZINC000453387898 331126906 /nfs/dbraw/zinc/12/69/06/331126906.db2.gz WESJGQPGRHXAKK-UONOGXRCSA-N 0 3 259.397 3.615 20 30 CHEDHN Cc1cccc2c1CC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000453389536 331127047 /nfs/dbraw/zinc/12/70/47/331127047.db2.gz ROZWKHGZJJBWDR-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN C=CCOc1ccc(CNC[C@H]2CC[C@@H](C)O2)cc1Cl ZINC000453632157 331137396 /nfs/dbraw/zinc/13/73/96/331137396.db2.gz OSSALBXSLPFHEG-TZMCWYRMSA-N 0 3 295.810 3.562 20 30 CHEDHN C[C@@H]1CCCC[C@]1(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000457311909 331218713 /nfs/dbraw/zinc/21/87/13/331218713.db2.gz ZEFOGUAFJZBROD-SUMDDJOVSA-N 0 3 298.430 3.844 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000164648732 331271981 /nfs/dbraw/zinc/27/19/81/331271981.db2.gz PCJUKOJCYCMXIN-ZDUSSCGKSA-N 0 3 289.375 3.685 20 30 CHEDHN C=CCCC[N@@H+](C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459338328 331276756 /nfs/dbraw/zinc/27/67/56/331276756.db2.gz GIAABEBLHWTHOI-UHFFFAOYSA-N 0 3 283.799 3.842 20 30 CHEDHN C=CCCC[N@H+](C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459338328 331276757 /nfs/dbraw/zinc/27/67/57/331276757.db2.gz GIAABEBLHWTHOI-UHFFFAOYSA-N 0 3 283.799 3.842 20 30 CHEDHN C=CCN(Cc1cnc(C2CC2)nc1)CC1CCCCC1 ZINC000459342054 331276853 /nfs/dbraw/zinc/27/68/53/331276853.db2.gz GTOGYCRJVNPSSG-UHFFFAOYSA-N 0 3 285.435 3.922 20 30 CHEDHN CN(Cc1ccc(C#N)o1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459688746 331294632 /nfs/dbraw/zinc/29/46/32/331294632.db2.gz YJMNBMGJWDHHPC-ZWKOTPCHSA-N 0 3 280.371 3.919 20 30 CHEDHN Cc1noc(C)c1CCN(Cc1ccc(C#N)cc1)C(C)C ZINC000165098616 331305790 /nfs/dbraw/zinc/30/57/90/331305790.db2.gz BSMWDRXATHJAAD-UHFFFAOYSA-N 0 3 297.402 3.616 20 30 CHEDHN CCCOc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000463239316 331343677 /nfs/dbraw/zinc/34/36/77/331343677.db2.gz XSAFDTACWGCSIK-NVXWUHKLSA-N 0 3 286.419 3.956 20 30 CHEDHN N#Cc1cccc(CCNCc2ccc(F)cc2Cl)c1 ZINC000466423709 331396359 /nfs/dbraw/zinc/39/63/59/331396359.db2.gz RVGVFNUSQZFAOR-UHFFFAOYSA-N 0 3 288.753 3.683 20 30 CHEDHN C=CC[C@H](CC)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000467412411 331418060 /nfs/dbraw/zinc/41/80/60/331418060.db2.gz SFWGFLQUGDPRLE-RYUDHWBXSA-N 0 3 281.371 3.848 20 30 CHEDHN Cc1cc(CN(C)Cc2cccc3[nH]ccc32)ccc1C#N ZINC000489026360 332038479 /nfs/dbraw/zinc/03/84/79/332038479.db2.gz KXTBLPIJQVXNAG-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cnc2c(cnn2C(C)C)c1 ZINC000489482597 332055420 /nfs/dbraw/zinc/05/54/20/332055420.db2.gz OGEHTFQVNDZDAC-INIZCTEOSA-N 0 3 284.407 3.553 20 30 CHEDHN Cc1cc(C(C#N)C(=O)c2cccc(Cl)c2C)nc(C)n1 ZINC000489882323 332071706 /nfs/dbraw/zinc/07/17/06/332071706.db2.gz HBXUUQDWOQBCTK-ZDUSSCGKSA-N 0 3 299.761 3.545 20 30 CHEDHN C=CC[C@@H](CC)N[C@H]1CCc2c1c(F)ccc2F ZINC000500813915 332619529 /nfs/dbraw/zinc/61/95/29/332619529.db2.gz IIFJMWYXSHLYMX-YGRLFVJLSA-N 0 3 251.320 3.896 20 30 CHEDHN C=CCc1cc(CN2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000505343793 332737629 /nfs/dbraw/zinc/73/76/29/332737629.db2.gz MMGSGXIDBRNEDC-KBPBESRZSA-N 0 3 289.419 3.607 20 30 CHEDHN C=CCCCNCc1cc(Br)ccc1OC ZINC000303991641 332964217 /nfs/dbraw/zinc/96/42/17/332964217.db2.gz YMCYXGCWMLVKOY-UHFFFAOYSA-N 0 3 284.197 3.514 20 30 CHEDHN C[C@H](N[C@@H]1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512636720 332977194 /nfs/dbraw/zinc/97/71/94/332977194.db2.gz NLIFZOUZJBHJDG-SUMWQHHRSA-N 0 3 294.373 3.905 20 30 CHEDHN Cc1ccccc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512659599 332978396 /nfs/dbraw/zinc/97/83/96/332978396.db2.gz IKZOIFPYXYSMDN-AWEZNQCLSA-N 0 3 282.362 3.899 20 30 CHEDHN CCN(Cc1ccc(OC)cc1)Cc1ccc(F)c(C#N)c1 ZINC000176816171 333048170 /nfs/dbraw/zinc/04/81/70/333048170.db2.gz DUHYDDNWTNMARJ-UHFFFAOYSA-N 0 3 298.361 3.728 20 30 CHEDHN C=CCCCNCc1ccc(Br)cc1OC ZINC000309890124 333051097 /nfs/dbraw/zinc/05/10/97/333051097.db2.gz CCPZGECOTYPZHD-UHFFFAOYSA-N 0 3 284.197 3.514 20 30 CHEDHN N#Cc1ccc(F)c(CN2CCC[C@H]3CCCC[C@H]32)c1 ZINC000217728154 333123141 /nfs/dbraw/zinc/12/31/41/333123141.db2.gz XDAFLBJQNXQJCS-RHSMWYFYSA-N 0 3 272.367 3.852 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OCC2CC2)c1 ZINC000185863327 333150584 /nfs/dbraw/zinc/15/05/84/333150584.db2.gz HIGYDGDLZDZJDQ-SJLPKXTDSA-N 0 3 298.430 3.956 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOc1ccccc1F ZINC000186483006 333161863 /nfs/dbraw/zinc/16/18/63/333161863.db2.gz QFZCCGWQDZVQHH-CQSZACIVSA-N 0 3 298.361 3.769 20 30 CHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cc2ccccc2s1 ZINC000190983657 333213012 /nfs/dbraw/zinc/21/30/12/333213012.db2.gz IWHCOOUUCHKRSN-GFCCVEGCSA-N 0 3 295.411 3.962 20 30 CHEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)c(C)s1 ZINC000194378655 333270302 /nfs/dbraw/zinc/27/03/02/333270302.db2.gz JSIYXLUAXPQGBQ-UHFFFAOYSA-N 0 3 270.401 3.869 20 30 CHEDHN C=CC1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000194394669 333270722 /nfs/dbraw/zinc/27/07/22/333270722.db2.gz ODHARRMACQKVPO-UHFFFAOYSA-N 0 3 274.389 3.801 20 30 CHEDHN C=C[C@H](C)NCc1cc(Br)c(Cl)s1 ZINC000227853209 333289282 /nfs/dbraw/zinc/28/92/82/333289282.db2.gz KKQVTGIMCXTFQC-LURJTMIESA-N 0 3 280.618 3.828 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000230649608 333319477 /nfs/dbraw/zinc/31/94/77/333319477.db2.gz QMLOTLAUHLMBHR-HNNXBMFYSA-N 0 3 260.356 3.852 20 30 CHEDHN C=CCCCN(C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000524248354 333357675 /nfs/dbraw/zinc/35/76/75/333357675.db2.gz QZIUHNQTUSMISX-UHFFFAOYSA-N 0 3 274.339 3.879 20 30 CHEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1CCc2ccccc2C1 ZINC000524424168 333361856 /nfs/dbraw/zinc/36/18/56/333361856.db2.gz ZJBWMEPONQNNJS-GOSISDBHSA-N 0 3 294.373 3.687 20 30 CHEDHN COc1cc(CNCc2ccc(Cl)cc2)ccc1C#N ZINC000234926999 333363058 /nfs/dbraw/zinc/36/30/58/333363058.db2.gz IZYRUDCOJJTPKL-UHFFFAOYSA-N 0 3 286.762 3.510 20 30 CHEDHN C=CCC[C@@H](C)NCc1c(Cl)cccc1OC ZINC000234935837 333363078 /nfs/dbraw/zinc/36/30/78/333363078.db2.gz QXQGCFHTSHTGTH-LLVKDONJSA-N 0 3 253.773 3.793 20 30 CHEDHN COc1cc(CN2CCC3(CCCC3)CC2)ccc1C#N ZINC000234998933 333364186 /nfs/dbraw/zinc/36/41/86/333364186.db2.gz RMXDVAKXYBBVRC-UHFFFAOYSA-N 0 3 284.403 3.723 20 30 CHEDHN C[C@@H](Cc1ccc(Br)cc1)NCC(C)(C)C#N ZINC000235136275 333366208 /nfs/dbraw/zinc/36/62/08/333366208.db2.gz UQAYSIDKKFSRTG-NSHDSACASA-N 0 3 295.224 3.519 20 30 CHEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cccc(C#N)c2F)C1 ZINC000235360557 333368500 /nfs/dbraw/zinc/36/85/00/333368500.db2.gz AXWLKOSMMLKYDD-JHJVBQTASA-N 0 3 260.356 3.564 20 30 CHEDHN C[C@@H](C#N)CN(C)CC1CCC(C(C)(C)C)CC1 ZINC000525119584 333399092 /nfs/dbraw/zinc/39/90/92/333399092.db2.gz QRBNRXADKKLKRF-NFOMZHRRSA-N 0 3 250.430 3.930 20 30 CHEDHN C[C@@H](CCNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000061910628 333477719 /nfs/dbraw/zinc/47/77/19/333477719.db2.gz MGIKKXRIMSMSGO-AWEZNQCLSA-N 0 3 282.362 3.981 20 30 CHEDHN Cc1cc(C)cc(OCCN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000538393960 333588260 /nfs/dbraw/zinc/58/82/60/333588260.db2.gz YLZIAUFOKWDGBJ-MRXNPFEDSA-N 0 3 294.398 3.905 20 30 CHEDHN C=C(C)COCCN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000539217610 333661767 /nfs/dbraw/zinc/66/17/67/333661767.db2.gz YOAZVKMUIDMYAI-KRWDZBQOSA-N 0 3 277.383 3.768 20 30 CHEDHN C=CC1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000539830315 333696228 /nfs/dbraw/zinc/69/62/28/333696228.db2.gz KITXSEBWGFFXNZ-SOFGYWHQSA-N 0 3 257.377 3.606 20 30 CHEDHN CO[C@]1(C)C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1(C)C ZINC000540708252 333742807 /nfs/dbraw/zinc/74/28/07/333742807.db2.gz PJWQDYCDGOPJQK-RGYTYGDFSA-N 0 3 290.382 3.552 20 30 CHEDHN Cc1ccc(SCCNCc2ccc(C#N)cc2)cc1 ZINC000070946951 333840045 /nfs/dbraw/zinc/84/00/45/333840045.db2.gz LZGUJLLTYPKRFN-UHFFFAOYSA-N 0 3 282.412 3.749 20 30 CHEDHN C=CCCOCCN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000543776626 333898175 /nfs/dbraw/zinc/89/81/75/333898175.db2.gz MGTJCLXQNJFSAG-MRXNPFEDSA-N 0 3 283.362 3.844 20 30 CHEDHN N#Cc1cccc(CN[C@H](Cc2ccccc2)C2CC2)c1F ZINC000544445164 333931594 /nfs/dbraw/zinc/93/15/94/333931594.db2.gz QZVQXQNZKLYLPB-GOSISDBHSA-N 0 3 294.373 3.808 20 30 CHEDHN C=CCC[C@H](C)NCc1cccc(OC(C)(C)C)n1 ZINC000544612568 333940415 /nfs/dbraw/zinc/94/04/15/333940415.db2.gz HQYWHQKXZITPAY-ZDUSSCGKSA-N 0 3 262.397 3.703 20 30 CHEDHN Cc1ccccc1C(NC(=O)C(C)C#N)c1ccccc1C ZINC000546220067 334019950 /nfs/dbraw/zinc/01/99/50/334019950.db2.gz PFWXKXUKAZAFBQ-HNNXBMFYSA-N 0 3 292.382 3.669 20 30 CHEDHN CC(C)(C)c1ccc(CCNCc2ccc(C#N)o2)cc1 ZINC000236586092 334056998 /nfs/dbraw/zinc/05/69/98/334056998.db2.gz CKVWWWLMJPNJNN-UHFFFAOYSA-N 0 3 282.387 3.781 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000576220244 335172222 /nfs/dbraw/zinc/17/22/22/335172222.db2.gz IEMGOAOBFLMZAF-DKKFBQAASA-N 0 3 295.430 3.992 20 30 CHEDHN CC(C)c1ccc(CCN2CCC(C#N)CC2)cc1 ZINC000137581828 334175279 /nfs/dbraw/zinc/17/52/79/334175279.db2.gz LYMXLLDTQPUUDE-UHFFFAOYSA-N 0 3 256.393 3.588 20 30 CHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000550932356 334234049 /nfs/dbraw/zinc/23/40/49/334234049.db2.gz VUCVRZLQXKGTRI-KGLIPLIRSA-N 0 3 257.381 3.730 20 30 CHEDHN C=CCC[C@H](NC[C@H](C)N1CCC[C@@H](C)C1)c1ccco1 ZINC000552224214 334305167 /nfs/dbraw/zinc/30/51/67/334305167.db2.gz OBZBRNVVIPIJBG-IKGGRYGDSA-N 0 3 290.451 3.997 20 30 CHEDHN CN(CC(C)(C)C#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000552316447 334316116 /nfs/dbraw/zinc/31/61/16/334316116.db2.gz AXHGGJXFADJRSC-SJLPKXTDSA-N 0 3 270.420 3.978 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@H]1c1ccccc1 ZINC000248802370 334317798 /nfs/dbraw/zinc/31/77/98/334317798.db2.gz AHRXFFJKCIJCTJ-DNVCBOLYSA-N 0 3 293.414 3.522 20 30 CHEDHN N#CCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000249034737 334325308 /nfs/dbraw/zinc/32/53/08/334325308.db2.gz SCBYFEQLXFJBGK-PVAVHDDUSA-N 0 3 267.376 3.703 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1 ZINC000249160918 334329230 /nfs/dbraw/zinc/32/92/30/334329230.db2.gz YVHVAIYHVWJOLG-LYRGGWFBSA-N 0 3 281.346 3.597 20 30 CHEDHN CCOC[C@@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412047 334378119 /nfs/dbraw/zinc/37/81/19/334378119.db2.gz XIKIADHZXYXOMN-OAHLLOKOSA-N 0 3 294.398 3.740 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000271426765 334743684 /nfs/dbraw/zinc/74/36/84/334743684.db2.gz CVEFAZHLJSDQMO-AUUYWEPGSA-N 0 3 292.382 3.927 20 30 CHEDHN CC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000158852586 334815091 /nfs/dbraw/zinc/81/50/91/334815091.db2.gz YNXYKTHNYLKQBH-UHFFFAOYSA-N 0 3 272.392 3.601 20 30 CHEDHN Cc1cccc2c1CC[C@H]2NCc1ccc(C#N)c(C)c1 ZINC000572685636 334871251 /nfs/dbraw/zinc/87/12/51/334871251.db2.gz NGKMERHLTXKASX-LJQANCHMSA-N 0 3 276.383 3.952 20 30 CHEDHN COc1cccc([C@@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000343868203 335225279 /nfs/dbraw/zinc/22/52/79/335225279.db2.gz XXGXXMXCSVAPJE-CQSZACIVSA-N 0 3 280.371 3.612 20 30 CHEDHN N#Cc1ccccc1OCCN(Cc1ccccc1)C1CC1 ZINC000345230936 335307869 /nfs/dbraw/zinc/30/78/69/335307869.db2.gz HMMXPAKEOBXFOZ-UHFFFAOYSA-N 0 3 292.382 3.602 20 30 CHEDHN CC(C)[C@H](CNCc1ccc(C#N)s1)Nc1ccccc1 ZINC000176965475 335348331 /nfs/dbraw/zinc/34/83/31/335348331.db2.gz MMTIWCJJTHACAA-KRWDZBQOSA-N 0 3 299.443 3.846 20 30 CHEDHN CCC[C@@H](NCc1ccc(CC#N)cc1)c1cccnc1 ZINC000579353129 335738057 /nfs/dbraw/zinc/73/80/57/335738057.db2.gz SYPLOOQGVFIZAD-GOSISDBHSA-N 0 3 279.387 3.779 20 30 CHEDHN C=CCCC[C@@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000181038307 335748678 /nfs/dbraw/zinc/74/86/78/335748678.db2.gz DJKAXIZNARPASR-CQSZACIVSA-N 0 3 289.423 3.615 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)CC12CCC2 ZINC000354899693 534038134 /nfs/dbraw/zinc/03/81/34/534038134.db2.gz PGSONRNDSFFRKZ-GFCCVEGCSA-N 0 3 260.406 3.632 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000347081999 534281980 /nfs/dbraw/zinc/28/19/80/534281980.db2.gz XLGCPJIDYRFYDH-SECBINFHSA-N 0 3 297.185 3.644 20 30 CHEDHN Cc1nc([C@H](C)NC2CCC(C)(C#N)CC2)cs1 ZINC000336219563 534598391 /nfs/dbraw/zinc/59/83/91/534598391.db2.gz LWRDCHROVCFURE-JKDOVBDQSA-N 0 3 263.410 3.575 20 30 CHEDHN N#CCCCN[C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000354956933 534614638 /nfs/dbraw/zinc/61/46/38/534614638.db2.gz BHENJNLTTKIULD-QGZVFWFLSA-N 0 3 299.805 3.912 20 30 CHEDHN COc1cc(CN[C@H]2CCCc3sccc32)ccc1C#N ZINC000235009494 522490933 /nfs/dbraw/zinc/49/09/33/522490933.db2.gz LPZQHHPFRNTTIS-HNNXBMFYSA-N 0 3 298.411 3.796 20 30 CHEDHN CC[C@H](NCc1ccc(COC)cc1)c1ccc(C#N)cc1 ZINC000278336814 522644528 /nfs/dbraw/zinc/64/45/28/522644528.db2.gz XCBRRSKHQJGVKW-IBGZPJMESA-N 0 3 294.398 3.946 20 30 CHEDHN CC[C@H](NCc1cccs1)c1ccc(C#N)cc1 ZINC000278240430 522659072 /nfs/dbraw/zinc/65/90/72/522659072.db2.gz LIHKNSHRQGXHHT-HNNXBMFYSA-N 0 3 256.374 3.861 20 30 CHEDHN CC[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccc(C#N)cc1 ZINC000278259860 522878604 /nfs/dbraw/zinc/87/86/04/522878604.db2.gz NMRJRFIKKUXQSG-IFXJQAMLSA-N 0 3 294.398 3.852 20 30 CHEDHN CCc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000276181968 524070195 /nfs/dbraw/zinc/07/01/95/524070195.db2.gz GZJKCMZMYVUHHH-UHFFFAOYSA-N 0 3 276.383 3.900 20 30 CHEDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000036991901 525157418 /nfs/dbraw/zinc/15/74/18/525157418.db2.gz IUJIAHWLPOAMPE-UONOGXRCSA-N 0 3 280.371 3.979 20 30 CHEDHN C[C@H](NC[C@H]1COc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000290380433 525423575 /nfs/dbraw/zinc/42/35/75/525423575.db2.gz RSIMXSMWCKQGSO-WFASDCNBSA-N 0 3 296.345 3.524 20 30 CHEDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000036991777 525738931 /nfs/dbraw/zinc/73/89/31/525738931.db2.gz XDIVXJDJJYLSKI-UONOGXRCSA-N 0 3 280.371 3.984 20 30 CHEDHN C[C@@H](c1cccs1)N(C)Cc1cccc(C#N)c1 ZINC000042227080 526145998 /nfs/dbraw/zinc/14/59/98/526145998.db2.gz LHVMLXAAKPGSGV-LBPRGKRZSA-N 0 3 256.374 3.813 20 30 CHEDHN C=CCN(CC[C@@H]1CCCCO1)Cc1cccs1 ZINC000347389379 526307124 /nfs/dbraw/zinc/30/71/24/526307124.db2.gz DXLJGMFLMKXMQL-AWEZNQCLSA-N 0 3 265.422 3.695 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1sc(C)nc1C ZINC000352756133 526315101 /nfs/dbraw/zinc/31/51/01/526315101.db2.gz BISPXSFPGPOXOA-UHFFFAOYSA-N 0 3 286.444 3.991 20 30 CHEDHN CC#CCN1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000347560401 526361901 /nfs/dbraw/zinc/36/19/01/526361901.db2.gz RFQHGULTGSUMOE-UHFFFAOYSA-N 0 3 270.351 3.510 20 30 CHEDHN N#Cc1ccc(OC2CCN(Cc3cccs3)CC2)cc1 ZINC000271182468 526670374 /nfs/dbraw/zinc/67/03/74/526670374.db2.gz XTJUTBCMYYPYHR-UHFFFAOYSA-N 0 3 298.411 3.663 20 30 CHEDHN N#Cc1cccc(C2(NCc3cccc4cccnc43)CC2)c1 ZINC000341225971 526700679 /nfs/dbraw/zinc/70/06/79/526700679.db2.gz GNEFUGSYWYPABY-UHFFFAOYSA-N 0 3 299.377 3.885 20 30 CHEDHN C=C(CC)CN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000347924882 526860100 /nfs/dbraw/zinc/86/01/00/526860100.db2.gz FVNKYXSBSIMEEO-SNVBAGLBSA-N 0 3 289.345 3.679 20 30 CHEDHN C=CCOc1ccc(CN[C@@H](CC)c2ccncc2)cc1 ZINC000344596262 526886890 /nfs/dbraw/zinc/88/68/90/526886890.db2.gz XBCOFGGWWSCVPO-SFHVURJKSA-N 0 3 282.387 3.887 20 30 CHEDHN C=C1CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC000353307101 526904092 /nfs/dbraw/zinc/90/40/92/526904092.db2.gz JTWQGVDNCHOUCE-UHFFFAOYSA-N 0 3 264.372 3.901 20 30 CHEDHN C=CCCCN(C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000353711802 527192792 /nfs/dbraw/zinc/19/27/92/527192792.db2.gz NOLHEMLDBHUTFX-UHFFFAOYSA-N 0 3 289.810 3.924 20 30 CHEDHN C=CCC[C@H](NCC1(CO)CC2(CCC2)C1)c1ccco1 ZINC000353587141 527483090 /nfs/dbraw/zinc/48/30/90/527483090.db2.gz FVXPLZHTUDXILC-HNNXBMFYSA-N 0 3 289.419 3.819 20 30 CHEDHN CC(C)CN(Cc1ccn(C)c1)Cc1ccc(C#N)cc1 ZINC000350658058 527949316 /nfs/dbraw/zinc/94/93/16/527949316.db2.gz KLUORESQMQMDIS-UHFFFAOYSA-N 0 3 281.403 3.555 20 30 CHEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)cs2)C1(CC)CC ZINC000344693279 528098249 /nfs/dbraw/zinc/09/82/49/528098249.db2.gz IRWHNIOZYILTKG-CABCVRRESA-N 0 3 292.448 3.693 20 30 CHEDHN CC(C)[C@@H](CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352838450 528463908 /nfs/dbraw/zinc/46/39/08/528463908.db2.gz FNHWHDIIJMENIK-OAHLLOKOSA-N 0 3 285.416 3.544 20 30 CHEDHN CCN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191872076 528829157 /nfs/dbraw/zinc/82/91/57/528829157.db2.gz BYIXGWJMIZAKHU-UHFFFAOYSA-N 0 3 268.335 3.719 20 30 CHEDHN CC1(C#N)CCC(N[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000335281350 528833335 /nfs/dbraw/zinc/83/33/35/528833335.db2.gz NCPQCBADPPDSHO-XGHPGWEVSA-N 0 3 272.367 3.686 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000356097148 528939657 /nfs/dbraw/zinc/93/96/57/528939657.db2.gz ZQVYOCZTKHJJPP-UHFFFAOYSA-N 0 3 282.309 3.950 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccccc1 ZINC000020085301 570408385 /nfs/dbraw/zinc/40/83/85/570408385.db2.gz GMRULPMKBRYYPB-HNNXBMFYSA-N 0 3 265.356 3.549 20 30 CHEDHN C=CCCCCC[N@@H+](C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735408219 598865826 /nfs/dbraw/zinc/86/58/26/598865826.db2.gz IBFZDAHVZINRQS-CQSZACIVSA-N 0 3 299.422 3.606 20 30 CHEDHN C=CCCCCC[N@H+](C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735408219 598865828 /nfs/dbraw/zinc/86/58/28/598865828.db2.gz IBFZDAHVZINRQS-CQSZACIVSA-N 0 3 299.422 3.606 20 30 CHEDHN C=CCCCCC[N@@H+](C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735408219 598865830 /nfs/dbraw/zinc/86/58/30/598865830.db2.gz IBFZDAHVZINRQS-CQSZACIVSA-N 0 3 299.422 3.606 20 30 CHEDHN C=CCCCCC[N@H+](C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735408219 598865831 /nfs/dbraw/zinc/86/58/31/598865831.db2.gz IBFZDAHVZINRQS-CQSZACIVSA-N 0 3 299.422 3.606 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734695 607014814 /nfs/dbraw/zinc/01/48/14/607014814.db2.gz RLWICEMLVMREFC-CZUORRHYSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734695 607014815 /nfs/dbraw/zinc/01/48/15/607014815.db2.gz RLWICEMLVMREFC-CZUORRHYSA-N 0 3 299.422 3.652 20 30 CHEDHN CCc1ccc(CNCc2ccc(C)c(C#N)c2)s1 ZINC000701828449 1121170398 /nfs/dbraw/zinc/17/03/98/1121170398.db2.gz WVUHFBOBQVRXKJ-UHFFFAOYSA-N 0 3 270.401 3.780 20 30 CHEDHN CC(C)(C)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000512542399 1121421248 /nfs/dbraw/zinc/42/12/48/1121421248.db2.gz OSOAQJAJDOTBPA-UHFFFAOYSA-N 0 3 262.422 3.878 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188486527 1123119805 /nfs/dbraw/zinc/11/98/05/1123119805.db2.gz VJPUSILAFQLTGD-BRWVUGGUSA-N 0 3 256.393 3.779 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)CCc1c(F)cccc1F ZINC000338933789 1123340198 /nfs/dbraw/zinc/34/01/98/1123340198.db2.gz LPEMHARQRSLUGJ-NWDGAFQWSA-N 0 3 266.335 3.568 20 30 CHEDHN C#C[C@H]1CC[C@H](NCc2nc(C(C)(C)C)cs2)CC1 ZINC000873198112 1124751304 /nfs/dbraw/zinc/75/13/04/1124751304.db2.gz QRQHZMSNECLNNT-JOCQHMNTSA-N 0 3 276.449 3.722 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](CC)C2)c1[O-] ZINC001138628401 1131529383 /nfs/dbraw/zinc/52/93/83/1131529383.db2.gz UGJYODQDUDSXLG-AWEZNQCLSA-N 0 3 259.393 3.743 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](CC)C2)c1[O-] ZINC001138628401 1131529388 /nfs/dbraw/zinc/52/93/88/1131529388.db2.gz UGJYODQDUDSXLG-AWEZNQCLSA-N 0 3 259.393 3.743 20 30 CHEDHN C=CCN(CC=C)Cc1cc(CC)c(O)c(CC)c1 ZINC001144147844 1131592033 /nfs/dbraw/zinc/59/20/33/1131592033.db2.gz IKKNXIWVLMOYLA-UHFFFAOYSA-N 0 3 259.393 3.691 20 30 CHEDHN C=CC[C@H](CCC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228937268 1131982386 /nfs/dbraw/zinc/98/23/86/1131982386.db2.gz XQYRTLCMEOQDKM-MRXNPFEDSA-N 0 3 259.393 3.798 20 30 CHEDHN CCCCCCC[C@H](CC)N1CCc2nn(C)cc2C1 ZINC001172356123 1132185481 /nfs/dbraw/zinc/18/54/81/1132185481.db2.gz ULEZYBBTYNKXRI-INIZCTEOSA-N 0 3 277.456 3.917 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(C#N)cc1OC ZINC001231618240 1132326217 /nfs/dbraw/zinc/32/62/17/1132326217.db2.gz BYQREKUYKLJCLU-UHFFFAOYSA-N 0 3 274.408 3.969 20 30 CHEDHN Cc1cccc(CCN(C)Cc2ccc(C#N)s2)c1 ZINC001232845925 1132528069 /nfs/dbraw/zinc/52/80/69/1132528069.db2.gz XYQIGPQYMPOBMD-UHFFFAOYSA-N 0 3 270.401 3.603 20 30 CHEDHN C=C(C)C[N@@H+](CC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233761250 1132675214 /nfs/dbraw/zinc/67/52/14/1132675214.db2.gz QRQUFTNSMSQHCB-UHFFFAOYSA-N 0 3 289.297 3.689 20 30 CHEDHN C=C(C)C[N@H+](CC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233761250 1132675220 /nfs/dbraw/zinc/67/52/20/1132675220.db2.gz QRQUFTNSMSQHCB-UHFFFAOYSA-N 0 3 289.297 3.689 20 30 CHEDHN C=C(C)CCN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000509679424 1125574471 /nfs/dbraw/zinc/57/44/71/1125574471.db2.gz HSWBVLFARCPUGV-DOTOQJQBSA-N 0 3 259.393 3.723 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000348342169 1125597842 /nfs/dbraw/zinc/59/78/42/1125597842.db2.gz LBMOJLZCLYODPM-HNNXBMFYSA-N 0 3 269.392 3.548 20 30 CHEDHN COc1ccc(CN(C)Cc2cccc(C#N)c2)cc1C ZINC000071959523 1125633465 /nfs/dbraw/zinc/63/34/65/1125633465.db2.gz DTVPQWMECINXSC-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN CC(C)(CCC#N)CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000092437443 1125757084 /nfs/dbraw/zinc/75/70/84/1125757084.db2.gz NNQHJCBODJTXDF-INIZCTEOSA-N 0 3 290.407 3.591 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc([S@](C)=O)cc1 ZINC000093498069 1125768863 /nfs/dbraw/zinc/76/88/63/1125768863.db2.gz QOWLMNCKRYDNAS-LJQANCHMSA-N 0 3 279.449 3.602 20 30 CHEDHN CCOc1ccc(C)c(CN2CCC(C)(C#N)CC2)c1 ZINC001238708592 1131235420 /nfs/dbraw/zinc/23/54/20/1131235420.db2.gz RBRYMMIHQLIRHT-UHFFFAOYSA-N 0 3 272.392 3.519 20 30 CHEDHN C=CCN(CCSC(C)C)Cc1cccc(C#N)c1 ZINC000338233262 1126725866 /nfs/dbraw/zinc/72/58/66/1126725866.db2.gz KNYMASIXHUDTMG-UHFFFAOYSA-N 0 3 274.433 3.688 20 30 CHEDHN C=CCCCCNCc1cscc1Br ZINC000379589132 1126730489 /nfs/dbraw/zinc/73/04/89/1126730489.db2.gz UYEWWARZYLRCOS-UHFFFAOYSA-N 0 3 274.227 3.957 20 30 CHEDHN CC#CCCNCc1ccc(-c2ccccc2)cc1OC ZINC000482166082 1126743834 /nfs/dbraw/zinc/74/38/34/1126743834.db2.gz UGUJYBOSMPHXPJ-UHFFFAOYSA-N 0 3 279.383 3.865 20 30 CHEDHN N#CCCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152730283 1126757089 /nfs/dbraw/zinc/75/70/89/1126757089.db2.gz DKPPUASXMHKOSI-ZDUSSCGKSA-N 0 3 289.448 3.505 20 30 CHEDHN C=C1CCC(C(=O)Nc2ccc(C)cc2CN(C)C)CC1 ZINC000888984428 1126758327 /nfs/dbraw/zinc/75/83/27/1126758327.db2.gz MULNUOMOCQPNHW-UHFFFAOYSA-N 0 3 286.419 3.742 20 30 CHEDHN C=CCOc1ccc(CN2CCC(C)=C(C)C2)cc1OC ZINC000482461764 1126758541 /nfs/dbraw/zinc/75/85/41/1126758541.db2.gz UBEJWWBGKQZRSZ-UHFFFAOYSA-N 0 3 287.403 3.802 20 30 CHEDHN CCC[N@H+](CCCC(C)(C)C#N)Cc1ccccc1[O-] ZINC000174840283 1126773804 /nfs/dbraw/zinc/77/38/04/1126773804.db2.gz IQUAYJOBFDYUCA-UHFFFAOYSA-N 0 3 274.408 3.934 20 30 CHEDHN CCC[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1[O-] ZINC000174840283 1126773806 /nfs/dbraw/zinc/77/38/06/1126773806.db2.gz IQUAYJOBFDYUCA-UHFFFAOYSA-N 0 3 274.408 3.934 20 30 CHEDHN C[C@H](Cc1ccccc1Cl)N1CCC[C@H](C#N)CC1 ZINC001170286937 1130479556 /nfs/dbraw/zinc/47/95/56/1130479556.db2.gz FVBQXYULWUOEGH-KGLIPLIRSA-N 0 3 276.811 3.897 20 30 CHEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccco1 ZINC000177822461 1126805618 /nfs/dbraw/zinc/80/56/18/1126805618.db2.gz RTVIERVBLLYRFT-ZDUSSCGKSA-N 0 3 286.400 3.735 20 30 CHEDHN C[C@@]1(c2ccccc2)CCN(CC#Cc2ccccc2)C1 ZINC000483921263 1126806038 /nfs/dbraw/zinc/80/60/38/1126806038.db2.gz JGRNXCVTPMMLDG-HXUWFJFHSA-N 0 3 275.395 3.702 20 30 CHEDHN C=CCCCCCN(C)[C@H]1CCc2ccccc2NC1=O ZINC000483963031 1126806079 /nfs/dbraw/zinc/80/60/79/1126806079.db2.gz XOIFGTCRQAFDDO-KRWDZBQOSA-N 0 3 286.419 3.618 20 30 CHEDHN COc1ccccc1C[C@H](C)N(C)CC#Cc1ccccc1 ZINC000483967168 1126806704 /nfs/dbraw/zinc/80/67/04/1126806704.db2.gz RKLSWPIEQBXVJM-KRWDZBQOSA-N 0 3 293.410 3.610 20 30 CHEDHN CCC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000483944896 1126806830 /nfs/dbraw/zinc/80/68/30/1126806830.db2.gz CZASIZOVCLEKHT-CYBMUJFWSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCN(CCOC)CCc1ccc2ccccc2c1 ZINC000484584356 1126830278 /nfs/dbraw/zinc/83/02/78/1126830278.db2.gz NVXCKKKCJOMAJE-UHFFFAOYSA-N 0 3 269.388 3.517 20 30 CHEDHN Cc1cc(C)c(/C=C/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000905083159 1126888873 /nfs/dbraw/zinc/88/88/73/1126888873.db2.gz BWQIEHRBIRYEMZ-SIHTYFDNSA-N 0 3 293.370 3.600 20 30 CHEDHN Cc1cnc(C(C)(C)NCCCC(C)(C)C#N)s1 ZINC000183919472 1126893776 /nfs/dbraw/zinc/89/37/76/1126893776.db2.gz TWKHWAHHBRUIOJ-UHFFFAOYSA-N 0 3 265.426 3.606 20 30 CHEDHN C=CCC[C@H](C)NCc1nccn1CCc1ccccc1 ZINC000185661772 1126901355 /nfs/dbraw/zinc/90/13/55/1126901355.db2.gz YSSYJQKSLJEBCI-INIZCTEOSA-N 0 3 283.419 3.570 20 30 CHEDHN Cc1c2ccccc2oc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185833507 1126904363 /nfs/dbraw/zinc/90/43/63/1126904363.db2.gz VQOCBIMXTLSCJB-UONOGXRCSA-N 0 3 268.360 3.913 20 30 CHEDHN CCSc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccn1 ZINC000187789532 1126915086 /nfs/dbraw/zinc/91/50/86/1126915086.db2.gz XGBPJTZJZJBQCT-ZDUSSCGKSA-N 0 3 297.427 3.916 20 30 CHEDHN C[C@H]1CC[C@@H](NCc2cc(C#N)n(C)c2)c2ccccc21 ZINC000191472915 1126952177 /nfs/dbraw/zinc/95/21/77/1126952177.db2.gz ULSZBZHRWZWRGN-SCLBCKFNSA-N 0 3 279.387 3.625 20 30 CHEDHN N#CCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485859062 1126958678 /nfs/dbraw/zinc/95/86/78/1126958678.db2.gz LUVLSJLCQIRORH-ZACQAIPSSA-N 0 3 254.377 3.558 20 30 CHEDHN CN(Cc1cc(C#N)cs1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906598177 1126961249 /nfs/dbraw/zinc/96/12/49/1126961249.db2.gz UEUZICHMQAAWPQ-CVEARBPZSA-N 0 3 286.375 3.747 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000266860651 1126988808 /nfs/dbraw/zinc/98/88/08/1126988808.db2.gz JOAFBUBAYNGTIA-BEFAXECRSA-N 0 3 292.382 3.782 20 30 CHEDHN C=CCO[C@@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC001320039789 1127008629 /nfs/dbraw/zinc/00/86/29/1127008629.db2.gz QBMPELHNNUFVSF-SWLSCSKDSA-N 0 3 265.784 3.678 20 30 CHEDHN CN(Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000042267241 1127035317 /nfs/dbraw/zinc/03/53/17/1127035317.db2.gz DGIQMRIYEACHKW-UHFFFAOYSA-N 0 3 270.763 3.844 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(C)c2)cc1 ZINC000488135350 1127059091 /nfs/dbraw/zinc/05/90/91/1127059091.db2.gz DIDKLURBAJAPMN-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000271198421 1127072298 /nfs/dbraw/zinc/07/22/98/1127072298.db2.gz SIGJTUPOKQAGFO-CYBMUJFWSA-N 0 3 286.375 3.748 20 30 CHEDHN FCCCCCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000671241613 1127074854 /nfs/dbraw/zinc/07/48/54/1127074854.db2.gz XFAZHNIBRBFZHT-IUCAKERBSA-N 0 3 295.242 3.799 20 30 CHEDHN CCCCCCCN(C)Cc1cncc(OCC)c1 ZINC001236838549 1131018098 /nfs/dbraw/zinc/01/80/98/1131018098.db2.gz LHSUEBRCVWNCAG-UHFFFAOYSA-N 0 3 264.413 3.883 20 30 CHEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000912352603 1127096956 /nfs/dbraw/zinc/09/69/56/1127096956.db2.gz NZBFSEPBRPTESI-SWLSCSKDSA-N 0 3 294.826 3.543 20 30 CHEDHN C=C(C)COCCN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000349534072 1127153440 /nfs/dbraw/zinc/15/34/40/1127153440.db2.gz HELNVSAJLIIWKY-MRXNPFEDSA-N 0 3 263.381 3.612 20 30 CHEDHN COc1ccc([C@H](C)N(C)Cc2cccc(C#N)c2)cc1 ZINC000349790260 1127161002 /nfs/dbraw/zinc/16/10/02/1127161002.db2.gz JSNVAURTYFQCHK-AWEZNQCLSA-N 0 3 280.371 3.760 20 30 CHEDHN COc1ccc2ccccc2c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349803958 1127162020 /nfs/dbraw/zinc/16/20/20/1127162020.db2.gz RTWOFBZIPBNBDT-DZGCQCFKSA-N 0 3 280.371 3.630 20 30 CHEDHN C=C(C)CCN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000352005416 1127215746 /nfs/dbraw/zinc/21/57/46/1127215746.db2.gz RAEYHRWHVXUEGP-KRWDZBQOSA-N 0 3 287.382 3.547 20 30 CHEDHN CCS[C@H]1CC[C@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000352892967 1127248932 /nfs/dbraw/zinc/24/89/32/1127248932.db2.gz LTYRZGFJSQTNGX-GJZGRUSLSA-N 0 3 292.423 3.803 20 30 CHEDHN C=C[C@H](COC)N[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC001116811417 1131164264 /nfs/dbraw/zinc/16/42/64/1131164264.db2.gz RGKGVMXFFWFBCW-KBRIMQKVSA-N 0 3 259.393 3.662 20 30 CHEDHN COc1ccc(CN[C@H](C)c2cccc(C)c2)cc1C#N ZINC000157186970 1127260915 /nfs/dbraw/zinc/26/09/15/1127260915.db2.gz JLENWSROCNSETB-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN Cc1cnccc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000590639011 1127265701 /nfs/dbraw/zinc/26/57/01/1127265701.db2.gz SKQCPZXUSWROBU-UHFFFAOYSA-N 0 3 279.387 3.672 20 30 CHEDHN CC(C)(CC#N)CNCc1c(Cl)ccc2cccnc21 ZINC000590970594 1127279953 /nfs/dbraw/zinc/27/99/53/1127279953.db2.gz SQMKYQIZOGBUKQ-UHFFFAOYSA-N 0 3 287.794 3.918 20 30 CHEDHN CC(C)n1nccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353912779 1127277757 /nfs/dbraw/zinc/27/77/57/1127277757.db2.gz GKRIESVVHNKPGJ-SFHVURJKSA-N 0 3 296.418 3.989 20 30 CHEDHN Cc1ncc(CN[C@@H](CCCC#N)c2ccccc2)s1 ZINC000353915252 1127277900 /nfs/dbraw/zinc/27/79/00/1127277900.db2.gz MPMQEWQANHHGQH-INIZCTEOSA-N 0 3 285.416 3.976 20 30 CHEDHN N#CCCC[C@H](NCc1cncs1)c1ccccc1 ZINC000353917674 1127277942 /nfs/dbraw/zinc/27/79/42/1127277942.db2.gz VFFRYIZMGHYZGI-HNNXBMFYSA-N 0 3 271.389 3.668 20 30 CHEDHN N#CCCC[C@H](NCc1cncc(F)c1)c1ccccc1 ZINC000353913740 1127278041 /nfs/dbraw/zinc/27/80/41/1127278041.db2.gz JDFDTUUZKJWJNP-KRWDZBQOSA-N 0 3 283.350 3.745 20 30 CHEDHN N#CCCC[C@H](NCc1ccncc1)c1ccccc1 ZINC000353918286 1127278487 /nfs/dbraw/zinc/27/84/87/1127278487.db2.gz XPKQEFJYWUTNEB-KRWDZBQOSA-N 0 3 265.360 3.606 20 30 CHEDHN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccc(C#N)c(F)c1 ZINC000353961361 1127281930 /nfs/dbraw/zinc/28/19/30/1127281930.db2.gz VYQYCWXUWJPWLX-SECBINFHSA-N 0 3 286.272 3.690 20 30 CHEDHN C#C[C@H](C)N[C@@H](CC)c1ccc(Br)cc1 ZINC000166490741 1127284482 /nfs/dbraw/zinc/28/44/82/1127284482.db2.gz GSKOCFYMGUNRDO-GWCFXTLKSA-N 0 3 266.182 3.512 20 30 CHEDHN CN(Cc1ccccc1C#N)C1CCC(F)(F)CC1 ZINC000287086509 1127287808 /nfs/dbraw/zinc/28/78/08/1127287808.db2.gz WUCQOLCDQVVVCP-UHFFFAOYSA-N 0 3 264.319 3.568 20 30 CHEDHN C#CCCN1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000760831654 1127304273 /nfs/dbraw/zinc/30/42/73/1127304273.db2.gz RECYUUGUIOVBFW-CQSZACIVSA-N 0 3 267.294 3.866 20 30 CHEDHN Cc1ccc2c(c1)CN(Cc1cc(C#N)n(C)c1)C(C)(C)C2 ZINC000354435951 1127308162 /nfs/dbraw/zinc/30/81/62/1127308162.db2.gz QVMCGGKDJXFBDQ-UHFFFAOYSA-N 0 3 293.414 3.542 20 30 CHEDHN C#CCCN1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000760846463 1127311155 /nfs/dbraw/zinc/31/11/55/1127311155.db2.gz GYMNAXBRNOSEBI-HXUWFJFHSA-N 0 3 291.394 3.818 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000591852982 1127324431 /nfs/dbraw/zinc/32/44/31/1127324431.db2.gz NWRSKAOKMSETAG-HNNXBMFYSA-N 0 3 289.382 3.931 20 30 CHEDHN CC(C)CN(CCc1ccccc1)Cc1ccncc1C#N ZINC000592062081 1127332501 /nfs/dbraw/zinc/33/25/01/1127332501.db2.gz FDRLDVXBZJLGGA-UHFFFAOYSA-N 0 3 293.414 3.654 20 30 CHEDHN C[C@@]1(Cc2ccccc2)CCCN1Cc1ccncc1C#N ZINC000592106542 1127333824 /nfs/dbraw/zinc/33/38/24/1127333824.db2.gz WBCNPKGZYLQMRC-IBGZPJMESA-N 0 3 291.398 3.550 20 30 CHEDHN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2ccncc2C#N)C1 ZINC000592069295 1127334141 /nfs/dbraw/zinc/33/41/41/1127334141.db2.gz OJVSNYKFTNOPAD-DOTOQJQBSA-N 0 3 291.398 3.640 20 30 CHEDHN Cc1ccccc1C1(NCc2ccc(CC#N)cc2)CC1 ZINC000592139412 1127336660 /nfs/dbraw/zinc/33/66/60/1127336660.db2.gz FKNAMCASTRWBRC-UHFFFAOYSA-N 0 3 276.383 3.840 20 30 CHEDHN CN(Cc1ccncc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000592125153 1127336770 /nfs/dbraw/zinc/33/67/70/1127336770.db2.gz RBXDKFDUYVRYFD-HZPDHXFCSA-N 0 3 271.408 3.600 20 30 CHEDHN CC(C)(C#N)CCNC1(c2ccccc2F)CCC1 ZINC000592146002 1127338331 /nfs/dbraw/zinc/33/83/31/1127338331.db2.gz IRSDJLYTMCGOOS-UHFFFAOYSA-N 0 3 260.356 3.734 20 30 CHEDHN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2ccncc2C#N)C1 ZINC000592153359 1127339751 /nfs/dbraw/zinc/33/97/51/1127339751.db2.gz AZTJQTDKRJSDSR-RDJZCZTQSA-N 0 3 283.419 3.601 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000592391680 1127347460 /nfs/dbraw/zinc/34/74/60/1127347460.db2.gz YVBZLZQKJVAAEZ-SFHVURJKSA-N 0 3 298.336 3.808 20 30 CHEDHN N#CCCC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000592517226 1127352271 /nfs/dbraw/zinc/35/22/71/1127352271.db2.gz BPCIJBCRAXEXMZ-UHFFFAOYSA-N 0 3 285.366 3.823 20 30 CHEDHN C#CCCOc1ccc(CN(CC)Cc2ccncc2)cc1 ZINC000289652552 1127384041 /nfs/dbraw/zinc/38/40/41/1127384041.db2.gz CHYVFEQILUNSPW-UHFFFAOYSA-N 0 3 294.398 3.506 20 30 CHEDHN C[C@H](CNCC1(C#N)CCCC1)Cc1ccccc1 ZINC000593653571 1127392868 /nfs/dbraw/zinc/39/28/68/1127392868.db2.gz QNEWCFLPENDLSI-HNNXBMFYSA-N 0 3 256.393 3.539 20 30 CHEDHN CC[C@H](Cc1ccccc1)NCC1(C#N)CCCC1 ZINC000593653541 1127393191 /nfs/dbraw/zinc/39/31/91/1127393191.db2.gz PQSPGFMIEXGAKH-MRXNPFEDSA-N 0 3 256.393 3.681 20 30 CHEDHN C[C@H](CNCC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000593655088 1127393352 /nfs/dbraw/zinc/39/33/52/1127393352.db2.gz WCSFBDQYXAMTGZ-CYBMUJFWSA-N 0 3 260.356 3.603 20 30 CHEDHN CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1F ZINC000593666829 1127393824 /nfs/dbraw/zinc/39/38/24/1127393824.db2.gz WGFQOKCYORUVSG-XEZPLFJOSA-N 0 3 260.356 3.949 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@@H](c3cccnc3)C2)CCCC1 ZINC000593654334 1127394324 /nfs/dbraw/zinc/39/43/24/1127394324.db2.gz AZDWKNLSZDALIN-WBVHZDCISA-N 0 3 283.419 3.781 20 30 CHEDHN C=CC[C@H](C)NCc1c(F)ccc(C2OCCO2)c1Cl ZINC000291160017 1127407799 /nfs/dbraw/zinc/40/77/99/1127407799.db2.gz LZYUZELVWRIPER-JTQLQIEISA-N 0 3 299.773 3.579 20 30 CHEDHN COC[C@H](CC(C)C)N[C@H](CCC#N)c1ccccc1 ZINC000358330498 1127415693 /nfs/dbraw/zinc/41/56/93/1127415693.db2.gz QIGDVAVKRAPQLY-DLBZAZTESA-N 0 3 274.408 3.682 20 30 CHEDHN CCCCCCCCN[C@@H](C)c1nnc2ccccn21 ZINC000059141589 1127416610 /nfs/dbraw/zinc/41/66/10/1127416610.db2.gz WJFYGWWDTFIDRV-AWEZNQCLSA-N 0 3 274.412 3.740 20 30 CHEDHN Cc1ncsc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594500447 1127419128 /nfs/dbraw/zinc/41/91/28/1127419128.db2.gz UJHHNQLDCCUZSX-UHFFFAOYSA-N 0 3 285.416 3.543 20 30 CHEDHN C[C@H]1CCCCCN1Cc1cn2ccccc2c1C#N ZINC000358403708 1127419742 /nfs/dbraw/zinc/41/97/42/1127419742.db2.gz WRPIXZGCVCZKTB-AWEZNQCLSA-N 0 3 267.376 3.575 20 30 CHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccc(O)c1 ZINC000594919696 1127435728 /nfs/dbraw/zinc/43/57/28/1127435728.db2.gz JROHCKZREIJYBB-AWEZNQCLSA-N 0 3 292.382 3.798 20 30 CHEDHN CC[C@H](N[C@@H](c1ccccc1)[C@H](C)O)c1ccc(C#N)cc1 ZINC000595103851 1127452877 /nfs/dbraw/zinc/45/28/77/1127452877.db2.gz OCOKZDKKNUXEGL-ZOCIIQOWSA-N 0 3 294.398 3.721 20 30 CHEDHN Cc1ccc2oc(CN[C@@H]3CCC[C@H](C#N)C3)cc2c1 ZINC000595085242 1127453446 /nfs/dbraw/zinc/45/34/46/1127453446.db2.gz JQNIPVKWCRBBGB-DZGCQCFKSA-N 0 3 268.360 3.913 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595335744 1127458768 /nfs/dbraw/zinc/45/87/68/1127458768.db2.gz VKIWJIGXCMBCLJ-QTUASDBPSA-N 0 3 280.415 3.804 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CC=CC1 ZINC000595336508 1127459042 /nfs/dbraw/zinc/45/90/42/1127459042.db2.gz ZKGZMIOOLLFQIJ-ROUUACIJSA-N 0 3 266.388 3.724 20 30 CHEDHN CSc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000595428987 1127462349 /nfs/dbraw/zinc/46/23/49/1127462349.db2.gz IIEUZVMPYTZLLQ-UHFFFAOYSA-N 0 3 260.406 3.534 20 30 CHEDHN N#CC1(c2ccccn2)CCN(CCCC2CCC2)CC1 ZINC000595473033 1127463989 /nfs/dbraw/zinc/46/39/89/1127463989.db2.gz SQNMMJFPWFLFOV-UHFFFAOYSA-N 0 3 283.419 3.519 20 30 CHEDHN Cc1cc(CN2CCC(c3ccco3)CC2)ccc1C#N ZINC000595615314 1127471358 /nfs/dbraw/zinc/47/13/58/1127471358.db2.gz LSJHGMYGCCLALO-UHFFFAOYSA-N 0 3 280.371 3.839 20 30 CHEDHN N#CCCCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595672870 1127472234 /nfs/dbraw/zinc/47/22/34/1127472234.db2.gz CJEXQSYEXHINCL-OAHLLOKOSA-N 0 3 258.365 3.891 20 30 CHEDHN CN(CC1=CCSC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000595889655 1127479869 /nfs/dbraw/zinc/47/98/69/1127479869.db2.gz UVQOKUWWFXZHCL-UHFFFAOYSA-N 0 3 286.444 3.593 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595916252 1127479900 /nfs/dbraw/zinc/47/99/00/1127479900.db2.gz NWCKBUQMZRMETB-HOCLYGCPSA-N 0 3 299.374 3.621 20 30 CHEDHN C[C@@]1(C#N)CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000595841778 1127478177 /nfs/dbraw/zinc/47/81/77/1127478177.db2.gz OCLJGKVINGQUQT-NXHRZFHOSA-N 0 3 268.404 3.806 20 30 CHEDHN C=CCOc1ccc(CNCc2ccsc2C)cc1 ZINC000293218942 1127496746 /nfs/dbraw/zinc/49/67/46/1127496746.db2.gz JTPCJIGTOOSGSD-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN C[C@H](N[C@H]1CCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000596649610 1127515344 /nfs/dbraw/zinc/51/53/44/1127515344.db2.gz DBEHSISVXYOKKF-VOJFVSQTSA-N 0 3 295.361 3.618 20 30 CHEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)C(C)(C)CO1 ZINC000597008955 1127524503 /nfs/dbraw/zinc/52/45/03/1127524503.db2.gz NMFQMBXGLXHVAQ-UHFFFAOYSA-N 0 3 298.430 3.631 20 30 CHEDHN CC[C@H](Cc1ccc(Br)cc1)NC[C@H](C)C#N ZINC000597082262 1127527432 /nfs/dbraw/zinc/52/74/32/1127527432.db2.gz IATLOUDKZPALIG-BXUZGUMPSA-N 0 3 295.224 3.519 20 30 CHEDHN COc1ccc2ccccc2c1CN1CCC[C@@H](CC#N)C1 ZINC000597175080 1127532910 /nfs/dbraw/zinc/53/29/10/1127532910.db2.gz VRBFLDVFKKMTOR-HNNXBMFYSA-N 0 3 294.398 3.974 20 30 CHEDHN C[C@]1(C#N)CCN([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000597229952 1127534977 /nfs/dbraw/zinc/53/49/77/1127534977.db2.gz CXQXNNJXXRJXAD-KSZLIROESA-N 0 3 268.404 3.732 20 30 CHEDHN CC(C)(C)[C@H]1C[C@@H](NCC2(C#N)CCCCC2)CS1 ZINC000597224755 1127536487 /nfs/dbraw/zinc/53/64/87/1127536487.db2.gz JMDWLUIOUFEXQN-ZIAGYGMSSA-N 0 3 280.481 3.970 20 30 CHEDHN C=CCN(C)Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001231830527 1127537710 /nfs/dbraw/zinc/53/77/10/1127537710.db2.gz OOBJQSWVMZWUGX-UHFFFAOYSA-N 0 3 277.261 3.541 20 30 CHEDHN Cc1ccccc1[C@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602440520 1127580124 /nfs/dbraw/zinc/58/01/24/1127580124.db2.gz QFNOLOKRDDQGAO-GOSISDBHSA-N 0 3 277.371 3.599 20 30 CHEDHN C[C@H]1CN(Cc2cccc(C#N)n2)CC[C@H]1c1ccccc1 ZINC000602476327 1127580852 /nfs/dbraw/zinc/58/08/52/1127580852.db2.gz NAULTCXJUTXILA-HNAYVOBHSA-N 0 3 291.398 3.579 20 30 CHEDHN C[C@H](CCC#N)CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000602704805 1127606993 /nfs/dbraw/zinc/60/69/93/1127606993.db2.gz JSBFVFLRVIASFJ-BVBHFADKSA-N 0 3 298.430 3.921 20 30 CHEDHN C[C@@H](CC#N)NCCCc1ccc(C(F)(F)F)cc1 ZINC000602860326 1127617485 /nfs/dbraw/zinc/61/74/85/1127617485.db2.gz CNTCDFPFEGITAU-NSHDSACASA-N 0 3 270.298 3.530 20 30 CHEDHN COc1ccccc1[C@@H]1CCCN1CC1(CC#N)CC1 ZINC000602772827 1127612987 /nfs/dbraw/zinc/61/29/87/1127612987.db2.gz KZEPEZCSAKXRMD-HNNXBMFYSA-N 0 3 270.376 3.526 20 30 CHEDHN CCS[C@H]1CC[C@@H](N(C)Cc2cc(C#N)ccc2F)C1 ZINC000362383764 1127631621 /nfs/dbraw/zinc/63/16/21/1127631621.db2.gz BFZBMJNBISBPHK-CABCVRRESA-N 0 3 292.423 3.803 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599060791 1127654291 /nfs/dbraw/zinc/65/42/91/1127654291.db2.gz ZHVTUQBKYSGSML-JHJVBQTASA-N 0 3 278.346 3.842 20 30 CHEDHN CCc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000593719419 1127665219 /nfs/dbraw/zinc/66/52/19/1127665219.db2.gz XOVWOJXWSKSQPW-LJQANCHMSA-N 0 3 276.383 3.898 20 30 CHEDHN Cc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1C#N ZINC000599463417 1127673191 /nfs/dbraw/zinc/67/31/91/1127673191.db2.gz VUBDQERPSHLCMT-UHFFFAOYSA-N 0 3 289.382 3.763 20 30 CHEDHN Cc1ccc(CN2CCc3c(CC#N)cccc3C2)cc1 ZINC000599686561 1127687938 /nfs/dbraw/zinc/68/79/38/1127687938.db2.gz SZGJJECMAOKIBU-UHFFFAOYSA-N 0 3 276.383 3.619 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000604016874 1127689099 /nfs/dbraw/zinc/68/90/99/1127689099.db2.gz KKHDOCOLZIBYRK-LJQANCHMSA-N 0 3 294.373 3.904 20 30 CHEDHN C=CCN1CCC(NC(=O)C[C@H](C)CCCCCC)CC1 ZINC000171715316 1127725515 /nfs/dbraw/zinc/72/55/15/1127725515.db2.gz FBOBXYNOVGAPIP-MRXNPFEDSA-N 0 3 294.483 3.750 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC1CC1 ZINC000409446038 1127769571 /nfs/dbraw/zinc/76/95/71/1127769571.db2.gz WQBAPIRTQJAUBG-DLBZAZTESA-N 0 3 254.377 3.558 20 30 CHEDHN N#Cc1cccc(CNCc2ccc(-c3ccncc3)cc2)c1 ZINC000371762493 1127778136 /nfs/dbraw/zinc/77/81/36/1127778136.db2.gz KFNXFXSSIDVVTL-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN CC#CCN(Cc1cccc(Br)c1)C(C)C ZINC000607727769 1127826168 /nfs/dbraw/zinc/82/61/68/1127826168.db2.gz XSKODUPDTNFOTC-UHFFFAOYSA-N 0 3 280.209 3.683 20 30 CHEDHN C=CCCCCCN(C)Cc1cccc(Cl)n1 ZINC000173787713 1127852915 /nfs/dbraw/zinc/85/29/15/1127852915.db2.gz SOFGGMQBXKIYLX-UHFFFAOYSA-N 0 3 252.789 3.913 20 30 CHEDHN N#CC(C(=O)CCCC1CCCC1)c1ccccn1 ZINC000173951200 1127861628 /nfs/dbraw/zinc/86/16/28/1127861628.db2.gz MTUKLIRAZWMAIW-CQSZACIVSA-N 0 3 256.349 3.618 20 30 CHEDHN C[C@@H](CCC#N)N(C)Cc1ccc(Br)c(F)c1 ZINC000411638186 1127867485 /nfs/dbraw/zinc/86/74/85/1127867485.db2.gz ZPJUWOGBWBIEHW-JTQLQIEISA-N 0 3 299.187 3.712 20 30 CHEDHN CC(C)c1cccc2c1CCN([C@H](C)CCC#N)C2 ZINC000411624569 1127868203 /nfs/dbraw/zinc/86/82/03/1127868203.db2.gz UMMIECWOZAKOAA-CQSZACIVSA-N 0 3 256.393 3.860 20 30 CHEDHN Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000470948359 1127936444 /nfs/dbraw/zinc/93/64/44/1127936444.db2.gz SQWDPLVGCPPLNE-SMDDNHRTSA-N 0 3 282.309 3.639 20 30 CHEDHN CC(C)N(Cc1ccc(CC#N)cc1)Cc1ccccn1 ZINC000544071559 1127957312 /nfs/dbraw/zinc/95/73/12/1127957312.db2.gz GUJHTHCCRYWWGN-UHFFFAOYSA-N 0 3 279.387 3.558 20 30 CHEDHN Cc1cccnc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000540067716 1127958979 /nfs/dbraw/zinc/95/89/79/1127958979.db2.gz QLJPPGYNWLIPMX-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN C[C@]1(c2ccccc2)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000468288648 1128001344 /nfs/dbraw/zinc/00/13/44/1128001344.db2.gz VKXLSBDWWMIUKL-IBGZPJMESA-N 0 3 294.373 3.861 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000468474441 1128009710 /nfs/dbraw/zinc/00/97/10/1128009710.db2.gz FWSCJLCLBQZSIO-ZACQAIPSSA-N 0 3 256.393 3.913 20 30 CHEDHN CC1(C)CN(Cc2ccc(C#N)s2)CC(C)(C)C1 ZINC000468699345 1128016502 /nfs/dbraw/zinc/01/65/02/1128016502.db2.gz HORSHVCUBHEOPN-UHFFFAOYSA-N 0 3 262.422 3.878 20 30 CHEDHN COc1cc(C#N)ccc1CN[C@@H](c1cccs1)C1CC1 ZINC000541580918 1128028716 /nfs/dbraw/zinc/02/87/16/1128028716.db2.gz FWCYXTQNAMCWAX-QGZVFWFLSA-N 0 3 298.411 3.869 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCOc2ccc(F)cc21 ZINC000925382621 1128030755 /nfs/dbraw/zinc/03/07/55/1128030755.db2.gz LUZUKKCJRQGAIS-FZMZJTMJSA-N 0 3 276.355 3.567 20 30 CHEDHN COc1cc(C)cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271919548 1128080438 /nfs/dbraw/zinc/08/04/38/1128080438.db2.gz DDSUFIZJOYPUDT-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN CCOc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271969408 1128091178 /nfs/dbraw/zinc/09/11/78/1128091178.db2.gz UFXMCOURDWAAAY-ZDUSSCGKSA-N 0 3 298.361 3.947 20 30 CHEDHN Cc1cc(CNCc2ccc(F)c(Cl)c2)ccc1C#N ZINC000443960359 1128102536 /nfs/dbraw/zinc/10/25/36/1128102536.db2.gz NWVSWQSWTXZAFE-UHFFFAOYSA-N 0 3 288.753 3.949 20 30 CHEDHN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000924583117 1128106207 /nfs/dbraw/zinc/10/62/07/1128106207.db2.gz WURMLCWKJJHKBK-UONOGXRCSA-N 0 3 274.408 3.983 20 30 CHEDHN C#CC[C@H](N[C@@H](C)C1(Br)CC1)c1ccccc1 ZINC000925634014 1128134880 /nfs/dbraw/zinc/13/48/80/1128134880.db2.gz HRDUIKMAJQZTFW-JSGCOSHPSA-N 0 3 292.220 3.657 20 30 CHEDHN C#CCN(C)Cc1ccc(N(C)c2ccccc2C)cc1 ZINC001234268709 1128136395 /nfs/dbraw/zinc/13/63/95/1128136395.db2.gz IUBSEHXXWTUDAA-UHFFFAOYSA-N 0 3 278.399 3.828 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCOc2c(F)cccc21 ZINC000926112154 1128155178 /nfs/dbraw/zinc/15/51/78/1128155178.db2.gz NASMPSSENMXYNB-SWLSCSKDSA-N 0 3 290.382 3.957 20 30 CHEDHN CC(C)CCN(CCC#N)CC1Cc2ccccc2C1 ZINC000558572703 1128160254 /nfs/dbraw/zinc/16/02/54/1128160254.db2.gz DDTYULLWDOPDPJ-UHFFFAOYSA-N 0 3 270.420 3.663 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCOc2c(F)cccc21 ZINC000926244789 1128163292 /nfs/dbraw/zinc/16/32/92/1128163292.db2.gz QAEXTDBHEHFRNP-RISCZKNCSA-N 0 3 276.355 3.567 20 30 CHEDHN COC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000926312308 1128166762 /nfs/dbraw/zinc/16/67/62/1128166762.db2.gz KQDWRVYHHQDHJU-IUODEOHRSA-N 0 3 294.826 3.945 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(C#N)c(Cl)c1 ZINC000926369779 1128170249 /nfs/dbraw/zinc/17/02/49/1128170249.db2.gz KNGJDWMTTVITBU-NSHDSACASA-N 0 3 275.783 3.630 20 30 CHEDHN C=CCC1(CN[C@@H](C)c2cn(C(C)C)nn2)CCCC1 ZINC000926543116 1128179916 /nfs/dbraw/zinc/17/99/16/1128179916.db2.gz VLXMNYHWLNYUMB-AWEZNQCLSA-N 0 3 276.428 3.646 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CCCc2c(Cl)ccnc21 ZINC000926567682 1128181486 /nfs/dbraw/zinc/18/14/86/1128181486.db2.gz HEKSFDKXDRNKHM-ZDUSSCGKSA-N 0 3 277.799 3.642 20 30 CHEDHN CCc1cc(CN2CC3(C2)CCCCC3)ccc1C#N ZINC001238767314 1131242372 /nfs/dbraw/zinc/24/23/72/1131242372.db2.gz AGHYDNRQHOLPLJ-UHFFFAOYSA-N 0 3 268.404 3.887 20 30 CHEDHN C=CCN(CCc1ccco1)CC1=Cc2ccccc2OC1 ZINC000495088727 1128230185 /nfs/dbraw/zinc/23/01/85/1128230185.db2.gz MODPWOCWINVBFC-UHFFFAOYSA-N 0 3 295.382 3.786 20 30 CHEDHN C[C@@H]1CN(CC2CCC(C#N)CC2)C[C@H](c2ccccc2)O1 ZINC000929345160 1128270846 /nfs/dbraw/zinc/27/08/46/1128270846.db2.gz ZASNOHAAYWZSFH-RMFNQSEZSA-N 0 3 298.430 3.778 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1cccc(C#N)c1 ZINC000930213187 1128307081 /nfs/dbraw/zinc/30/70/81/1128307081.db2.gz KTZUGLIVLULXHE-OAHLLOKOSA-N 0 3 289.382 3.898 20 30 CHEDHN Cc1ccccc1[C@@H](NCc1cncc(C#N)c1)C(C)C ZINC000930218245 1128308102 /nfs/dbraw/zinc/30/81/02/1128308102.db2.gz WSCQWXLNMRWXJQ-SFHVURJKSA-N 0 3 279.387 3.749 20 30 CHEDHN CO[C@]1(C)CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930289376 1128312871 /nfs/dbraw/zinc/31/28/71/1128312871.db2.gz QOWDNSSQOZZTFB-MRXNPFEDSA-N 0 3 292.810 3.603 20 30 CHEDHN N#CC1CCC(CN[C@H](CF)c2ccc(F)cc2)CC1 ZINC000931558772 1128368552 /nfs/dbraw/zinc/36/85/52/1128368552.db2.gz UIFZQCNSQAVKCU-SEEARECTSA-N 0 3 278.346 3.756 20 30 CHEDHN C[C@H]1CCN(Cc2cncc(C#N)c2)[C@@H]1c1ccccc1 ZINC000931746694 1128379901 /nfs/dbraw/zinc/37/99/01/1128379901.db2.gz KOVUIJDXUXDZBY-KSSFIOAISA-N 0 3 277.371 3.536 20 30 CHEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191763 1128399337 /nfs/dbraw/zinc/39/93/37/1128399337.db2.gz OLHLSKVGBSHRAK-STQMWFEESA-N 0 3 289.448 3.503 20 30 CHEDHN CC#CCCN1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934418802 1128459999 /nfs/dbraw/zinc/45/99/99/1128459999.db2.gz PBFYQJJPEHGEJY-UHFFFAOYSA-N 0 3 289.806 3.648 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(Br)cc1F ZINC000126827879 1128468888 /nfs/dbraw/zinc/46/88/88/1128468888.db2.gz CNVLUIZUQAUTMB-BDAKNGLRSA-N 0 3 272.161 3.813 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](C)c1nc(Br)ccc1F ZINC000925433587 1128477654 /nfs/dbraw/zinc/47/76/54/1128477654.db2.gz ZFCLGHCQOYLOMY-BDAKNGLRSA-N 0 3 287.176 3.598 20 30 CHEDHN C=CCCCCCN1CCC2(C1)Oc1ccccc1O2 ZINC000563771752 1128478093 /nfs/dbraw/zinc/47/80/93/1128478093.db2.gz UVHCSALCTKBDEX-UHFFFAOYSA-N 0 3 273.376 3.606 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000128555237 1128502666 /nfs/dbraw/zinc/50/26/66/1128502666.db2.gz JRSCYVVSQKDKMN-RBUKOAKNSA-N 0 3 299.389 3.832 20 30 CHEDHN N#CC(C(=O)CCc1ccc(Cl)cc1)c1ccccn1 ZINC000041492352 1128545540 /nfs/dbraw/zinc/54/55/40/1128545540.db2.gz LLMOWABMCZGRFU-CQSZACIVSA-N 0 3 284.746 3.544 20 30 CHEDHN N#Cc1ccc(CN(Cc2ccccc2)CC2CCC2)nc1 ZINC000568583656 1128588573 /nfs/dbraw/zinc/58/85/73/1128588573.db2.gz FLVIMBSXXCLYEB-UHFFFAOYSA-N 0 3 291.398 3.756 20 30 CHEDHN CSc1ccc(CN2CCC(CC#N)CC2)s1 ZINC000572689195 1128646833 /nfs/dbraw/zinc/64/68/33/1128646833.db2.gz QVCMXUNXDUNMNM-UHFFFAOYSA-N 0 3 266.435 3.596 20 30 CHEDHN N#Cc1ccc(OCCN2CCC[C@H]2c2ccsc2)cc1 ZINC000046089228 1128658351 /nfs/dbraw/zinc/65/83/51/1128658351.db2.gz JRGXCLCREIPTQN-KRWDZBQOSA-N 0 3 298.411 3.836 20 30 CHEDHN N#Cc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cc1 ZINC000047376191 1128669905 /nfs/dbraw/zinc/66/99/05/1128669905.db2.gz LRNBCISKIIHORJ-MRXNPFEDSA-N 0 3 297.317 3.597 20 30 CHEDHN Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1ccc([O-])c(C#N)c1 ZINC000600779287 1128681364 /nfs/dbraw/zinc/68/13/64/1128681364.db2.gz AFJDAHUBBMHHSM-KRWDZBQOSA-N 0 3 278.355 3.664 20 30 CHEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000577924389 1128698696 /nfs/dbraw/zinc/69/86/96/1128698696.db2.gz UFQVZOULODAFTG-STQMWFEESA-N 0 3 294.320 3.809 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccsc2C(F)(F)F)C1 ZINC000601288415 1128709127 /nfs/dbraw/zinc/70/91/27/1128709127.db2.gz XKZILPDLMPDWSG-KOLCDFICSA-N 0 3 288.338 3.939 20 30 CHEDHN CC[C@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000609766814 1128724579 /nfs/dbraw/zinc/72/45/79/1128724579.db2.gz SZGPBPHSDJAPTI-HNNXBMFYSA-N 0 3 281.403 3.823 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000072553274 1117761823 /nfs/dbraw/zinc/76/18/23/1117761823.db2.gz OCNLLXNDKDAMSV-UHFFFAOYSA-N 0 3 285.387 3.753 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000165214614 1117992335 /nfs/dbraw/zinc/99/23/35/1117992335.db2.gz MKLKCGVFEHWICV-AWEZNQCLSA-N 0 3 275.355 3.589 20 30 CHEDHN C=CCCCCCCCN1CCCC(=O)[C@@H](C)C1 ZINC001209438690 1118056698 /nfs/dbraw/zinc/05/66/98/1118056698.db2.gz SRNICZYVHCCDQG-HNNXBMFYSA-N 0 3 251.414 3.814 20 30 CHEDHN Cc1ccccc1[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000507180334 1118105329 /nfs/dbraw/zinc/10/53/29/1118105329.db2.gz IRWRDAUUCYLHDK-MRXNPFEDSA-N 0 3 294.373 3.995 20 30 CHEDHN CCc1nc2c(s1)[C@H](NCc1ccc(C#N)cc1)CCC2 ZINC000765011408 1118129563 /nfs/dbraw/zinc/12/95/63/1118129563.db2.gz ASGACJGJBWGLIA-CQSZACIVSA-N 0 3 297.427 3.744 20 30 CHEDHN C=CCCCCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000655807913 1118219378 /nfs/dbraw/zinc/21/93/78/1118219378.db2.gz WEHAZOZHALWAEY-CQSZACIVSA-N 0 3 261.413 3.616 20 30 CHEDHN C=CCCCCCN(C)CC(=O)N[C@H](C)c1cccs1 ZINC000150894306 1118231613 /nfs/dbraw/zinc/23/16/13/1118231613.db2.gz ZFZMDAQROJUUKM-CQSZACIVSA-N 0 3 294.464 3.604 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)Cc1ccc(F)cc1 ZINC000165449190 1118277871 /nfs/dbraw/zinc/27/78/71/1118277871.db2.gz MKAIABGURWHPBC-UHFFFAOYSA-N 0 3 268.335 3.638 20 30 CHEDHN Cc1ncc(CN2CCC(c3cccc(C#N)c3)CC2)s1 ZINC001207061211 1118385187 /nfs/dbraw/zinc/38/51/87/1118385187.db2.gz IIMVGPLYXCYAET-UHFFFAOYSA-N 0 3 297.427 3.703 20 30 CHEDHN C=CCCCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001168604734 1118388377 /nfs/dbraw/zinc/38/83/77/1118388377.db2.gz RWKZDMJZOWSIHN-HUUCEWRRSA-N 0 3 296.455 3.672 20 30 CHEDHN COc1ccc2cc(CN(C)CCCC#N)ccc2c1 ZINC000050275045 1118469925 /nfs/dbraw/zinc/46/99/25/1118469925.db2.gz LRNFGSLOYOPQNB-UHFFFAOYSA-N 0 3 268.360 3.584 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000334523240 1118554471 /nfs/dbraw/zinc/55/44/71/1118554471.db2.gz PNPFQXKLHPCYLQ-KUHUBIRLSA-N 0 3 291.398 3.990 20 30 CHEDHN N#Cc1cccc(CNCc2ccc(-c3cccnc3)cc2)c1 ZINC000080537062 1128785852 /nfs/dbraw/zinc/78/58/52/1128785852.db2.gz DDYIXOHIOWSIIR-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN Cc1cncc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000335754511 1118645949 /nfs/dbraw/zinc/64/59/49/1118645949.db2.gz XWELXWZNFMQEHX-IBGZPJMESA-N 0 3 291.398 3.819 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1cc2ccccc2o1 ZINC000430758201 1118766574 /nfs/dbraw/zinc/76/65/74/1118766574.db2.gz ZVWNUYLFAQTNSL-LBPRGKRZSA-N 0 3 254.333 3.777 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]2C2CC2)c(OC(F)F)c1 ZINC000610613809 1118797873 /nfs/dbraw/zinc/79/78/73/1118797873.db2.gz VLXDINRIZKLFFB-AWEZNQCLSA-N 0 3 292.329 3.534 20 30 CHEDHN C=CCCCCNCc1nc2c(s1)C[C@H](C)CC2 ZINC000472070927 1118957037 /nfs/dbraw/zinc/95/70/37/1118957037.db2.gz XFBWVCABYYYZQW-GFCCVEGCSA-N 0 3 264.438 3.714 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N1Cc1cn2ccccc2c1C#N ZINC000342341407 1118985270 /nfs/dbraw/zinc/98/52/70/1118985270.db2.gz UPLLRZXLGSGZEM-OKILXGFUSA-N 0 3 267.376 3.574 20 30 CHEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H](C(C)C)CC2)nn1 ZINC000657438805 1119091590 /nfs/dbraw/zinc/09/15/90/1119091590.db2.gz VHBAGWSQBYNELK-JKSUJKDBSA-N 0 3 290.455 3.549 20 30 CHEDHN CCc1ccc([C@H](C/N=C\c2ccccc2O)N(C)C)cc1 ZINC000255517982 1119120334 /nfs/dbraw/zinc/12/03/34/1119120334.db2.gz BENDTXBPEMNUCP-YNGKYYQNSA-N 0 3 296.414 3.676 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(COC)s1 ZINC000657531195 1119159438 /nfs/dbraw/zinc/15/94/38/1119159438.db2.gz XVSMIFNWBHVINY-OCCSQVGLSA-N 0 3 280.437 3.514 20 30 CHEDHN Cc1ccc([C@H](C)NCc2ccc(C#N)s2)s1 ZINC000135686359 1119213446 /nfs/dbraw/zinc/21/34/46/1119213446.db2.gz BVXWDCWYWMFDHL-JTQLQIEISA-N 0 3 262.403 3.841 20 30 CHEDHN C=CCOCCCNCc1ccc(Oc2ccccc2)o1 ZINC000657658018 1119227785 /nfs/dbraw/zinc/22/77/85/1119227785.db2.gz ITFQDJFMLYFRGM-UHFFFAOYSA-N 0 3 287.359 3.754 20 30 CHEDHN C=CCC1(NCc2csc(C3CC3)n2)CCCC1 ZINC000657702709 1119257803 /nfs/dbraw/zinc/25/78/03/1119257803.db2.gz OJCPZHOTFFLVJS-UHFFFAOYSA-N 0 3 262.422 3.999 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(C)cn1 ZINC000156389305 1119358818 /nfs/dbraw/zinc/35/88/18/1119358818.db2.gz FGFFCVSXECCUIM-UHFFFAOYSA-N 0 3 266.388 3.621 20 30 CHEDHN CCCN(CC1(C#N)CC1)[C@H]1CCc2ccccc21 ZINC000343324835 1119385735 /nfs/dbraw/zinc/38/57/35/1119385735.db2.gz YBIUZIZPQZGYND-INIZCTEOSA-N 0 3 254.377 3.690 20 30 CHEDHN C=CCCN(C)Cc1cccc(OCC)c1OC(F)F ZINC000343465412 1119426382 /nfs/dbraw/zinc/42/63/82/1119426382.db2.gz HRQBPHDWALXWSS-UHFFFAOYSA-N 0 3 285.334 3.695 20 30 CHEDHN CC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000343627351 1119473740 /nfs/dbraw/zinc/47/37/40/1119473740.db2.gz JEPNXVDOZXXJOL-CQSZACIVSA-N 0 3 298.390 3.523 20 30 CHEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cccc(C#N)c2F)C1 ZINC000300241073 1119494363 /nfs/dbraw/zinc/49/43/63/1119494363.db2.gz AXWLKOSMMLKYDD-UPJWGTAASA-N 0 3 260.356 3.564 20 30 CHEDHN C=C(C)CNCc1ccc(Br)cc1SC ZINC000380296560 1119538313 /nfs/dbraw/zinc/53/83/13/1119538313.db2.gz CVAIWILJNQEYAD-UHFFFAOYSA-N 0 3 286.238 3.837 20 30 CHEDHN COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371324 1119698696 /nfs/dbraw/zinc/69/86/96/1119698696.db2.gz OKFBOFZDFBPSIX-CYBMUJFWSA-N 0 3 298.367 3.519 20 30 CHEDHN N#CC(C(=O)C=CSc1ccccc1)c1ccccn1 ZINC000255848337 1119766599 /nfs/dbraw/zinc/76/65/99/1119766599.db2.gz XAMJAAMOHDTVIC-FPAJZGIOSA-N 0 3 280.352 3.564 20 30 CHEDHN C=C(CNCc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000612579565 1119801527 /nfs/dbraw/zinc/80/15/27/1119801527.db2.gz SNXOJSJYRDKNDR-UHFFFAOYSA-N 0 3 282.343 3.706 20 30 CHEDHN CCC(CC)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000177731774 1119849660 /nfs/dbraw/zinc/84/96/60/1119849660.db2.gz XXVNOIFZINXYIU-GFCCVEGCSA-N 0 3 270.332 3.830 20 30 CHEDHN C=CC[C@@H](CC)N[C@H](C)c1ncc(Br)s1 ZINC000281688652 1119858064 /nfs/dbraw/zinc/85/80/64/1119858064.db2.gz RXMMHXWBKKSIDN-RKDXNWHRSA-N 0 3 289.242 3.911 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)CCCO2 ZINC000414163722 1119922556 /nfs/dbraw/zinc/92/25/56/1119922556.db2.gz JDVLTXWXUAFRAW-OAHLLOKOSA-N 0 3 272.392 3.738 20 30 CHEDHN C=C(C)CCc1ccccc1-n1nc(CN)c2ccccc21 ZINC001167698207 1119994792 /nfs/dbraw/zinc/99/47/92/1119994792.db2.gz PVFJDEYSSWPTLA-UHFFFAOYSA-N 0 3 291.398 3.993 20 30 CHEDHN CCCN(Cc1ccoc1C)Cc1ccc(C#N)cc1 ZINC000414370433 1120001973 /nfs/dbraw/zinc/00/19/73/1120001973.db2.gz LQHXYLCCBSKOOV-UHFFFAOYSA-N 0 3 268.360 3.872 20 30 CHEDHN Cc1ccc([C@H](C)NCC2(C#N)CCCC2)c(O)c1C ZINC000903109275 1120070618 /nfs/dbraw/zinc/07/06/18/1120070618.db2.gz MBSLQVLQNLZMNA-AWEZNQCLSA-N 0 3 272.392 3.744 20 30 CHEDHN COc1cccc([C@H](C)N(C)Cc2ccc(C#N)cc2)c1 ZINC000123026943 1120106108 /nfs/dbraw/zinc/10/61/08/1120106108.db2.gz YTPIPCGEUZOIMW-AWEZNQCLSA-N 0 3 280.371 3.760 20 30 CHEDHN C=C(Br)CNCCc1ccc(C(C)C)cc1 ZINC000309603819 1120131956 /nfs/dbraw/zinc/13/19/56/1120131956.db2.gz YFMFNVDTYOLVLS-UHFFFAOYSA-N 0 3 282.225 3.851 20 30 CHEDHN COc1ccccc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000123388317 1120148349 /nfs/dbraw/zinc/14/83/49/1120148349.db2.gz YQJLJLYXCUJNDU-UHFFFAOYSA-N 0 3 294.398 3.977 20 30 CHEDHN C=CCN(CC=C)CCc1nsc2ccccc21 ZINC000659837968 1120150720 /nfs/dbraw/zinc/15/07/20/1120150720.db2.gz ISEBNEYPJOMPII-UHFFFAOYSA-N 0 3 258.390 3.513 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000613661329 1120152694 /nfs/dbraw/zinc/15/26/94/1120152694.db2.gz ANNIRTIZRZIRSE-NOZJJQNGSA-N 0 3 269.175 3.775 20 30 CHEDHN C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000264398632 1120190508 /nfs/dbraw/zinc/19/05/08/1120190508.db2.gz VBGSJFZHABOJMW-FZKQIMNGSA-N 0 3 262.356 3.896 20 30 CHEDHN C[C@@H](CCNCC1(C#N)CCCC1)c1ccccc1 ZINC000405153949 1120190513 /nfs/dbraw/zinc/19/05/13/1120190513.db2.gz QQZRQSBEQRJSCH-HNNXBMFYSA-N 0 3 256.393 3.854 20 30 CHEDHN C[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000136258310 1120222550 /nfs/dbraw/zinc/22/25/50/1120222550.db2.gz YBMROLUZMKJAJC-ZDUSSCGKSA-N 0 3 281.321 3.789 20 30 CHEDHN C[C@H](N[C@H](CCCO)c1ccccc1)c1cccc(C#N)c1 ZINC000305756608 1120223892 /nfs/dbraw/zinc/22/38/92/1120223892.db2.gz ALWDMRNGPUASCT-HNAYVOBHSA-N 0 3 294.398 3.723 20 30 CHEDHN C[C@H](NCCCCC1(C#N)CCC1)c1c(F)cncc1F ZINC000930475014 1120228291 /nfs/dbraw/zinc/22/82/91/1120228291.db2.gz YNCXOWSPXJVGPN-LBPRGKRZSA-N 0 3 293.361 3.875 20 30 CHEDHN C=CCN(Cc1cc(C)nc(C)n1)CC1CCCCC1 ZINC000659920655 1120286529 /nfs/dbraw/zinc/28/65/29/1120286529.db2.gz RKTWBIMKJXPRQW-UHFFFAOYSA-N 0 3 273.424 3.662 20 30 CHEDHN C#C[C@@H](NCc1c(OC)ccc2ccccc21)C(C)C ZINC000312152905 1120311741 /nfs/dbraw/zinc/31/17/41/1120311741.db2.gz BBYLYNUVVCZQBH-QGZVFWFLSA-N 0 3 267.372 3.596 20 30 CHEDHN Cc1ccc(CN(C)Cc2ccc(C#N)cc2)s1 ZINC000077207525 1120318415 /nfs/dbraw/zinc/31/84/15/1120318415.db2.gz DTDWRVFVWQHWID-UHFFFAOYSA-N 0 3 256.374 3.560 20 30 CHEDHN CC(C)[C@@H](CC(F)(F)F)NCc1csc(C#N)c1 ZINC000922037027 1120344943 /nfs/dbraw/zinc/34/49/43/1120344943.db2.gz WJJBXGWCNQNZOV-LLVKDONJSA-N 0 3 276.327 3.686 20 30 CHEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000922073192 1120356320 /nfs/dbraw/zinc/35/63/20/1120356320.db2.gz PIDSVXKZZJYIEQ-LJQANCHMSA-N 0 3 292.382 3.652 20 30 CHEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000618571862 1128919208 /nfs/dbraw/zinc/91/92/08/1128919208.db2.gz GDCCPFGAONQANF-WZRBSPASSA-N 0 3 264.319 3.698 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(Cl)s1 ZINC000695789736 1120485296 /nfs/dbraw/zinc/48/52/96/1120485296.db2.gz WTMUBGQEXRWBRH-VIFPVBQESA-N 0 3 256.802 3.819 20 30 CHEDHN CC(C)OC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000531164483 1120486824 /nfs/dbraw/zinc/48/68/24/1120486824.db2.gz ZBNBCXDTFJEJFN-CQSZACIVSA-N 0 3 272.392 3.509 20 30 CHEDHN COc1cccc(CNCc2c(C)cc(C#N)cc2C)c1C ZINC000922265564 1120489627 /nfs/dbraw/zinc/48/96/27/1120489627.db2.gz GWSHLFULBRHROU-UHFFFAOYSA-N 0 3 294.398 3.782 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]2c2ccccc2)s1 ZINC000123663841 1120542038 /nfs/dbraw/zinc/54/20/38/1120542038.db2.gz SFCMHJQZKKKKKI-MRXNPFEDSA-N 0 3 268.385 3.957 20 30 CHEDHN CN(CCC#N)c1ccc(CNC(C)(C)/C=C/Cl)cc1 ZINC000922651139 1120572639 /nfs/dbraw/zinc/57/26/39/1120572639.db2.gz VEFXZBXZHSAGDF-MDZDMXLPSA-N 0 3 291.826 3.657 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000186704432 1120645636 /nfs/dbraw/zinc/64/56/36/1120645636.db2.gz GEPFJAAQEQQRTK-KOLCDFICSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000766021524 1120664501 /nfs/dbraw/zinc/66/45/01/1120664501.db2.gz UJYJFOHTFDRMDN-DYVFJYSZSA-N 0 3 297.358 3.958 20 30 CHEDHN C=C(C)[C@@H](NCC[C@H](C)F)c1ccc(F)c(F)c1 ZINC000509135647 1120669570 /nfs/dbraw/zinc/66/95/70/1120669570.db2.gz HSSFVZTZZGKHTB-IINYFYTJSA-N 0 3 257.299 3.920 20 30 CHEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1C ZINC000618741675 1128934873 /nfs/dbraw/zinc/93/48/73/1128934873.db2.gz KHHOQEUSIISNMF-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN C=CC[C@H]1CC[C@@H](NCc2nc(C)c3ccccc3n2)C1 ZINC000651695368 1120713807 /nfs/dbraw/zinc/71/38/07/1120713807.db2.gz HAJBPHJVHUAJKL-LSDHHAIUSA-N 0 3 281.403 3.773 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2csc(CC)n2)C1 ZINC000651702238 1120716142 /nfs/dbraw/zinc/71/61/42/1120716142.db2.gz NGHMRRXXKBMRFW-NEPJUHHUSA-N 0 3 250.411 3.540 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000651732382 1120730287 /nfs/dbraw/zinc/73/02/87/1120730287.db2.gz SXPOXNYFZDDOSZ-BZUAXINKSA-N 0 3 296.418 3.663 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ncccc1C ZINC000093168565 1128938305 /nfs/dbraw/zinc/93/83/05/1128938305.db2.gz GTYNMEBUASBUEU-UHFFFAOYSA-N 0 3 266.388 3.621 20 30 CHEDHN FCC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000661688025 1120794568 /nfs/dbraw/zinc/79/45/68/1120794568.db2.gz ALRIIWUQFXISLS-HNNXBMFYSA-N 0 3 279.786 3.763 20 30 CHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000618807436 1128940918 /nfs/dbraw/zinc/94/09/18/1128940918.db2.gz YTZZUYFIYCJDPR-YJYMSZOUSA-N 0 3 287.366 3.768 20 30 CHEDHN C=CCC1(NCc2cc(C(C)(C)C)on2)CCCC1 ZINC000661851536 1120825514 /nfs/dbraw/zinc/82/55/14/1120825514.db2.gz WAKPFUZAGBBINO-UHFFFAOYSA-N 0 3 262.397 3.951 20 30 CHEDHN CC(C)[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1F ZINC000601964778 1120916533 /nfs/dbraw/zinc/91/65/33/1120916533.db2.gz UKGGPSJRTZRRBN-HNNXBMFYSA-N 0 3 278.346 3.945 20 30 CHEDHN CC(C)(C)c1nc(CNCC(C)(C)CCC#N)cs1 ZINC000343996784 1121048251 /nfs/dbraw/zinc/04/82/51/1121048251.db2.gz YATWIQOKDILFLV-UHFFFAOYSA-N 0 3 279.453 3.860 20 30 CHEDHN C=CC[C@H]1CCN(Cc2nc3ccccc3s2)C1 ZINC000625702214 1121061343 /nfs/dbraw/zinc/06/13/43/1121061343.db2.gz FLFOGVCEJBZGFQ-LBPRGKRZSA-N 0 3 258.390 3.694 20 30 CHEDHN C[C@H]1CCCCN1c1cccc(N[C@H]2CC[C@H](C#N)CC2)n1 ZINC001167842803 1121069930 /nfs/dbraw/zinc/06/99/30/1121069930.db2.gz RCXJQUNVLJLPKL-JYJNAYRXSA-N 0 3 298.434 3.955 20 30 CHEDHN C[C@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1 ZINC000172908186 1121165885 /nfs/dbraw/zinc/16/58/85/1121165885.db2.gz KKWOUPQXASIKQJ-AWEZNQCLSA-N 0 3 262.356 3.505 20 30 CHEDHN Cc1scc(CNCc2ccc(C)c(C#N)c2)c1C ZINC000701868935 1121171890 /nfs/dbraw/zinc/17/18/90/1121171890.db2.gz ZAHRBIHRYDAQQP-UHFFFAOYSA-N 0 3 270.401 3.835 20 30 CHEDHN C#C[C@H](NCc1ccc(C(F)F)cc1)C(C)(C)C ZINC000702256433 1121186742 /nfs/dbraw/zinc/18/67/42/1121186742.db2.gz MIQRIKYBUBUSRK-ZDUSSCGKSA-N 0 3 251.320 3.762 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1CCc2ccccc2C1 ZINC000512316206 1121260242 /nfs/dbraw/zinc/26/02/42/1121260242.db2.gz XSCCGVSUZWPGKG-GOSISDBHSA-N 0 3 294.373 3.687 20 30 CHEDHN Cc1nc2ccc(Nc3cc(C)cc(C#N)c3)cc2[nH]1 ZINC001213077113 1121328694 /nfs/dbraw/zinc/32/86/94/1121328694.db2.gz GKMAVCGSEBEAQP-UHFFFAOYSA-N 0 3 262.316 3.795 20 30 CHEDHN SC1CCN(Cc2ccnc3c(Cl)cccc23)CC1 ZINC001237146085 1128986640 /nfs/dbraw/zinc/98/66/40/1128986640.db2.gz UIDJVKGQULQIGH-UHFFFAOYSA-N 0 3 292.835 3.782 20 30 CHEDHN C[C@H](CC(C)(C)c1ccccc1)NCc1nc(C#N)cs1 ZINC000573491239 1121475416 /nfs/dbraw/zinc/47/54/16/1121475416.db2.gz YRFZZNJQAHBQBN-CYBMUJFWSA-N 0 3 299.443 3.861 20 30 CHEDHN C=C(C)C[N@@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000182631835 1128990343 /nfs/dbraw/zinc/99/03/43/1128990343.db2.gz JDGIJWCNZJKVKE-UHFFFAOYSA-N 0 3 271.360 3.562 20 30 CHEDHN C=C(C)C[N@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000182631835 1128990347 /nfs/dbraw/zinc/99/03/47/1128990347.db2.gz JDGIJWCNZJKVKE-UHFFFAOYSA-N 0 3 271.360 3.562 20 30 CHEDHN N#CCCN[C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000425959050 1121511766 /nfs/dbraw/zinc/51/17/66/1121511766.db2.gz INOYOQICEJSAAU-IBGZPJMESA-N 0 3 278.399 3.734 20 30 CHEDHN C[C@@H](NCC(C)(C)C#N)[C@H](C)c1ccc(Cl)cc1 ZINC000619428867 1128990700 /nfs/dbraw/zinc/99/07/00/1128990700.db2.gz IVXGXAVTVOSJCC-NWDGAFQWSA-N 0 3 264.800 3.971 20 30 CHEDHN C#CCC1(NCc2c(F)cccc2F)CCCCC1 ZINC001176431807 1121620243 /nfs/dbraw/zinc/62/02/43/1121620243.db2.gz JQIKFJHVLMAIPF-UHFFFAOYSA-N 0 3 263.331 3.781 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OC2CCC2)CC1 ZINC000419290417 1121624220 /nfs/dbraw/zinc/62/42/20/1121624220.db2.gz VMBYATVDAJBZLV-AWEZNQCLSA-N 0 3 284.403 3.653 20 30 CHEDHN C#CCN(CCc1ccns1)[C@H]1CCCc2ccccc21 ZINC001176453193 1121633950 /nfs/dbraw/zinc/63/39/50/1121633950.db2.gz PZDWQPOQQVBGQD-SFHVURJKSA-N 0 3 296.439 3.698 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCc2ccccc21 ZINC000611549061 1121655465 /nfs/dbraw/zinc/65/54/65/1121655465.db2.gz ZLKPKEICBGRDTK-INIZCTEOSA-N 0 3 294.373 3.859 20 30 CHEDHN C=CCC[C@@H]1CCCN1Cc1cn2c(cccc2C)n1 ZINC001176767859 1121693823 /nfs/dbraw/zinc/69/38/23/1121693823.db2.gz WMXXHFHSEMJLMY-MRXNPFEDSA-N 0 3 269.392 3.573 20 30 CHEDHN C#C[C@H]1CCCCN1C[C@@H](OC(C)C)c1ccccc1 ZINC001176832837 1121697170 /nfs/dbraw/zinc/69/71/70/1121697170.db2.gz KJBODHYUZHEMBG-ZWKOTPCHSA-N 0 3 271.404 3.640 20 30 CHEDHN Cc1cccnc1[C@H](C)NCCC1(C#N)CCCCC1 ZINC001176895847 1121701432 /nfs/dbraw/zinc/70/14/32/1121701432.db2.gz ACGPXAHPEKFEJX-HNNXBMFYSA-N 0 3 271.408 3.905 20 30 CHEDHN C#C[C@H](NC[C@@H](C)CCC#N)c1ccc(Cl)cc1 ZINC000877540958 1121705305 /nfs/dbraw/zinc/70/53/05/1121705305.db2.gz IXJDWXJEZWHYLE-WFASDCNBSA-N 0 3 260.768 3.544 20 30 CHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(F)cccc1Cl ZINC000435742652 1121756891 /nfs/dbraw/zinc/75/68/91/1121756891.db2.gz WLYPDNSJHUEPOT-XHDPSFHLSA-N 0 3 283.774 3.550 20 30 CHEDHN C#Cc1ccc(CNCc2cc(F)cc3cccnc32)cc1 ZINC001178759169 1121813763 /nfs/dbraw/zinc/81/37/63/1121813763.db2.gz XTJIRGRGNSOJJU-UHFFFAOYSA-N 0 3 290.341 3.645 20 30 CHEDHN C=CC(C)(C)CCCNCc1snc(OC)c1Cl ZINC001179516036 1121882469 /nfs/dbraw/zinc/88/24/69/1121882469.db2.gz PIXFUOLLGOZFPW-UHFFFAOYSA-N 0 3 288.844 3.887 20 30 CHEDHN COc1cc(C#N)ccc1CN(C)CCCc1ccccc1 ZINC000501257356 1121965263 /nfs/dbraw/zinc/96/52/63/1121965263.db2.gz PCGUNPZMIVLENT-UHFFFAOYSA-N 0 3 294.398 3.631 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H](CC)[C@H]1C ZINC001181044610 1122029686 /nfs/dbraw/zinc/02/96/86/1122029686.db2.gz WJXCNJKPMCKPKX-ZIAGYGMSSA-N 0 3 291.822 3.972 20 30 CHEDHN N#CCc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420938311 1122046967 /nfs/dbraw/zinc/04/69/67/1122046967.db2.gz AQRCLDFWMCGTLL-HNNXBMFYSA-N 0 3 296.336 3.917 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cnc2c(F)cccc2c1 ZINC001181315239 1122049065 /nfs/dbraw/zinc/04/90/65/1122049065.db2.gz LAOULKHUFMQGFB-OAHLLOKOSA-N 0 3 270.351 3.914 20 30 CHEDHN CC1(C)CCC[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000773986553 1122118491 /nfs/dbraw/zinc/11/84/91/1122118491.db2.gz CFMREAOUANVLGJ-NWDGAFQWSA-N 0 3 282.343 3.830 20 30 CHEDHN CCCCCCCCC[C@H](C)N1CC(N2CCOCC2)C1 ZINC001258229294 1129039008 /nfs/dbraw/zinc/03/90/08/1129039008.db2.gz PQICIMBOCXWPKN-KRWDZBQOSA-N 0 3 296.499 3.532 20 30 CHEDHN CCCCCCCCC[C@@H](C)n1cc(CN)cnc1=N ZINC001258230924 1129048850 /nfs/dbraw/zinc/04/88/50/1129048850.db2.gz FFOCQKRZDUYOCB-CQSZACIVSA-N 0 3 278.444 3.523 20 30 CHEDHN C=CC[C@@H]1N(Cc2ccc(F)cn2)CCCC1(C)C ZINC000434505967 1122374073 /nfs/dbraw/zinc/37/40/73/1122374073.db2.gz AKOQZPSSMOFGNC-HNNXBMFYSA-N 0 3 262.372 3.787 20 30 CHEDHN C=CCOc1ccc(CN(C)Cc2cccs2)cc1 ZINC000505604201 1122433823 /nfs/dbraw/zinc/43/38/23/1122433823.db2.gz DOEDMMDZZQGNFI-UHFFFAOYSA-N 0 3 273.401 3.945 20 30 CHEDHN C#C[C@@H](C)N(C)Cc1cc(-c2ccccc2)cs1 ZINC000775183999 1122471413 /nfs/dbraw/zinc/47/14/13/1122471413.db2.gz RMIYMVTUKNYPSY-CYBMUJFWSA-N 0 3 255.386 3.869 20 30 CHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(F)cccc1Cl ZINC000435742650 1122486903 /nfs/dbraw/zinc/48/69/03/1122486903.db2.gz WLYPDNSJHUEPOT-IAQYHMDHSA-N 0 3 283.774 3.550 20 30 CHEDHN C=CCOc1ccc(CN(C)Cc2ccc(OC)cc2)cc1 ZINC000505765998 1122517643 /nfs/dbraw/zinc/51/76/43/1122517643.db2.gz KIBYNJKBWJBSCM-UHFFFAOYSA-N 0 3 297.398 3.892 20 30 CHEDHN CC(C)CCOCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425533490 1122544257 /nfs/dbraw/zinc/54/42/57/1122544257.db2.gz KWLRGXNNANRIHW-OAHLLOKOSA-N 0 3 274.408 3.614 20 30 CHEDHN C=C(Cl)CN(CCC)[C@H]1C[C@H](OCC)C1(C)C ZINC001191099122 1122571370 /nfs/dbraw/zinc/57/13/70/1122571370.db2.gz IUJQKJVPPLCZIG-STQMWFEESA-N 0 3 259.821 3.655 20 30 CHEDHN C#Cc1ccccc1C(=O)NCCP(C(C)C)C(C)C ZINC001191128592 1122576700 /nfs/dbraw/zinc/57/67/00/1122576700.db2.gz MBWBJSUCOOLXHY-UHFFFAOYSA-N 0 3 289.359 3.696 20 30 CHEDHN CCN(C[C@H](C)C#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437581386 1122643660 /nfs/dbraw/zinc/64/36/60/1122643660.db2.gz PIHJQNGFLABWMO-KBAYOESNSA-N 0 3 270.420 3.978 20 30 CHEDHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1OC(F)F ZINC000437633767 1122646554 /nfs/dbraw/zinc/64/65/54/1122646554.db2.gz YOKDYSOCTVESCH-SMDDNHRTSA-N 0 3 294.345 3.780 20 30 CHEDHN Cc1ccc(CN2CCC(Cc3ccc(C#N)cc3)CC2)o1 ZINC001203293950 1122647482 /nfs/dbraw/zinc/64/74/82/1122647482.db2.gz LNBNDVUPFDWVKM-UHFFFAOYSA-N 0 3 294.398 3.914 20 30 CHEDHN C#C[C@H](N[C@H](C)c1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000775574491 1122676688 /nfs/dbraw/zinc/67/66/88/1122676688.db2.gz PRLFITMPJNTUOI-CCKFTAQKSA-N 0 3 279.383 3.671 20 30 CHEDHN CCCCCCCN1CCOc2cc(OC)ccc2C1 ZINC001193783323 1122716027 /nfs/dbraw/zinc/71/60/27/1122716027.db2.gz CDYHSFDPKJROCQ-UHFFFAOYSA-N 0 3 277.408 3.860 20 30 CHEDHN C[C@H]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C1 ZINC000429594446 1122729001 /nfs/dbraw/zinc/72/90/01/1122729001.db2.gz XQBLSLMNWUXGBQ-XHDPSFHLSA-N 0 3 262.784 3.832 20 30 CHEDHN CCCCCCCOC(=O)N(C(C)C)C1CCN(C)CC1 ZINC001194003930 1122737146 /nfs/dbraw/zinc/73/71/46/1122737146.db2.gz DTPJOXQVVXUHAT-UHFFFAOYSA-N 0 3 298.471 3.898 20 30 CHEDHN CC[C@H](NCc1ccc(F)c(C#N)c1)c1cccs1 ZINC000184093849 1122780487 /nfs/dbraw/zinc/78/04/87/1122780487.db2.gz MRECHRZRWPEZPG-AWEZNQCLSA-N 0 3 274.364 4.000 20 30 CHEDHN CC1(C#N)CCN(Cc2cc3c(cccc3O)s2)CC1 ZINC000894431338 1122851705 /nfs/dbraw/zinc/85/17/05/1122851705.db2.gz ONFUGSBTKKYPEL-UHFFFAOYSA-N 0 3 286.400 3.733 20 30 CHEDHN C=CCN(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894493796 1122864041 /nfs/dbraw/zinc/86/40/41/1122864041.db2.gz DDODTBAWECISRD-UHFFFAOYSA-N 0 3 252.770 3.568 20 30 CHEDHN C=CCCCN(CC)Cc1cnc(Cl)c(F)c1 ZINC001198457841 1122992564 /nfs/dbraw/zinc/99/25/64/1122992564.db2.gz LZYRLABVNSMOHP-UHFFFAOYSA-N 0 3 256.752 3.662 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CSc2ccccc21 ZINC000925092097 1123028850 /nfs/dbraw/zinc/02/88/50/1123028850.db2.gz HNDIVQZPVWYHFN-DGCLKSJQSA-N 0 3 260.406 3.751 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CSc2ccccc21 ZINC000925092098 1123028989 /nfs/dbraw/zinc/02/89/89/1123028989.db2.gz HNDIVQZPVWYHFN-WCQYABFASA-N 0 3 260.406 3.751 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000105461111 1123051996 /nfs/dbraw/zinc/05/19/96/1123051996.db2.gz JCBIPBCALQUIIS-KBPBESRZSA-N 0 3 296.370 3.534 20 30 CHEDHN N#Cc1c(CN2CCC[C@@H]3CCC[C@H]32)cn2ccccc12 ZINC000441432720 1123116578 /nfs/dbraw/zinc/11/65/78/1123116578.db2.gz FGWCDDHYOIOFND-WMLDXEAASA-N 0 3 279.387 3.575 20 30 CHEDHN C=CCCCN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000441449728 1123128144 /nfs/dbraw/zinc/12/81/44/1123128144.db2.gz OKSDCROYILQYKD-DOTOQJQBSA-N 0 3 259.393 3.723 20 30 CHEDHN CCCCCCCN1CCCn2cnc(COCC)c2C1 ZINC001201777287 1123151537 /nfs/dbraw/zinc/15/15/37/1123151537.db2.gz VFLHQEQICOSZSB-UHFFFAOYSA-N 0 3 293.455 3.596 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000776256130 1123189575 /nfs/dbraw/zinc/18/95/75/1123189575.db2.gz KWIZFVXGGSOVPH-ZDUSSCGKSA-N 0 3 263.381 3.625 20 30 CHEDHN FC[C@@]1(C(F)(F)F)CCN(CCCC(F)(F)F)C1 ZINC001202377882 1123204358 /nfs/dbraw/zinc/20/43/58/1123204358.db2.gz PEHUSEACBDHLDP-QMMMGPOBSA-N 0 3 281.215 3.553 20 30 CHEDHN Cc1cc(C)cc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000850366457 1123257501 /nfs/dbraw/zinc/25/75/01/1123257501.db2.gz BWEJZTVXKMGBPU-INIZCTEOSA-N 0 3 294.398 3.884 20 30 CHEDHN C[C@H]1CCC[C@H](C)N(Cc2cccc(F)c2C#N)C1 ZINC000428229458 1123284561 /nfs/dbraw/zinc/28/45/61/1123284561.db2.gz FTFYSOJQVVDNKG-STQMWFEESA-N 0 3 260.356 3.708 20 30 CHEDHN CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000442773044 1123336909 /nfs/dbraw/zinc/33/69/09/1123336909.db2.gz BUUVBCVGDILGJA-RBOXIYTFSA-N 0 3 278.346 3.944 20 30 CHEDHN COc1cc(CN2CCC[C@H]2c2ccccc2)ccc1C#N ZINC000442808639 1123341095 /nfs/dbraw/zinc/34/10/95/1123341095.db2.gz ICKXFFUVRUNOCY-SFHVURJKSA-N 0 3 292.382 3.904 20 30 CHEDHN CCOc1cc(Cl)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442819080 1123341247 /nfs/dbraw/zinc/34/12/47/1123341247.db2.gz POTVZRDAAJGPDR-FZMZJTMJSA-N 0 3 278.783 3.521 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1ccc(F)cc1Cl ZINC000852686937 1123412944 /nfs/dbraw/zinc/41/29/44/1123412944.db2.gz CDOMODPDBUFOBK-DVOMOZLQSA-N 0 3 295.785 3.696 20 30 CHEDHN CC1(C#N)CCN(Cc2coc3ccccc23)CC1 ZINC000335838376 1123442131 /nfs/dbraw/zinc/44/21/31/1123442131.db2.gz BRJHEGORZBLPMK-UHFFFAOYSA-N 0 3 254.333 3.558 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](Cn1cccn1)c1ccccc1 ZINC000925126520 1123464530 /nfs/dbraw/zinc/46/45/30/1123464530.db2.gz BKGWBMVZHAVJAR-DOTOQJQBSA-N 0 3 296.418 3.542 20 30 CHEDHN C=CCC1(O)CCN(Cc2cccc(Cl)c2C)CC1 ZINC000895828773 1123519537 /nfs/dbraw/zinc/51/95/37/1123519537.db2.gz YGKOXAGEXKRWLS-UHFFFAOYSA-N 0 3 279.811 3.551 20 30 CHEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000114617977 1123570069 /nfs/dbraw/zinc/57/00/69/1123570069.db2.gz PTKJPYOMNYFVEQ-XJKSGUPXSA-N 0 3 298.386 3.550 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2csc(Br)c2)C1 ZINC000274213817 1129130430 /nfs/dbraw/zinc/13/04/30/1129130430.db2.gz ODOZEFAREVMLRI-GXSJLCMTSA-N 0 3 299.237 3.683 20 30 CHEDHN Cc1ccc([C@H](C)N[C@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000925491248 1123586594 /nfs/dbraw/zinc/58/65/94/1123586594.db2.gz DRVORVBDQHIABE-OLZOCXBDSA-N 0 3 289.379 3.882 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000859444297 1123698257 /nfs/dbraw/zinc/69/82/57/1123698257.db2.gz JJBHJNXLHBPUJT-ZDUSSCGKSA-N 0 3 290.794 3.640 20 30 CHEDHN N#CC(C(=O)CC(C1CCC1)C1CCC1)c1ccccn1 ZINC000860469063 1123734867 /nfs/dbraw/zinc/73/48/67/1123734867.db2.gz XEZNZEPQDJIZCD-INIZCTEOSA-N 0 3 282.387 3.864 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1cccc(O)c1 ZINC000186292154 1123831488 /nfs/dbraw/zinc/83/14/88/1123831488.db2.gz XCLRHRPHQRNHFE-AWEZNQCLSA-N 0 3 280.371 3.765 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2sccc2Br)C1 ZINC000192977951 1123868451 /nfs/dbraw/zinc/86/84/51/1123868451.db2.gz GVHYKWOJUUYZDC-NXEZZACHSA-N 0 3 299.237 3.683 20 30 CHEDHN CSCCON=C(C)c1ccc(N2CCCCC2)cc1 ZINC000794573838 1123904125 /nfs/dbraw/zinc/90/41/25/1123904125.db2.gz MPGPRMTYJOHFFN-UHFFFAOYSA-N 0 3 292.448 3.781 20 30 CHEDHN CC[C@H](NCc1cc(C#N)ccc1F)c1ccc(C)cc1O ZINC000794813428 1123957069 /nfs/dbraw/zinc/95/70/69/1123957069.db2.gz DLDYJVNUYDXZQC-KRWDZBQOSA-N 0 3 298.361 3.952 20 30 CHEDHN CC(C)(C#N)CCCCN1CCO[C@H](C2CCCCC2)C1 ZINC000444691134 1124053883 /nfs/dbraw/zinc/05/38/83/1124053883.db2.gz XCZATRZNVKQMHT-KRWDZBQOSA-N 0 3 292.467 3.988 20 30 CHEDHN C=CCC[C@H](CCC)NCc1nn(C)cc1C(F)F ZINC000866562542 1124082138 /nfs/dbraw/zinc/08/21/38/1124082138.db2.gz CZKPKMKQMQGYKG-NSHDSACASA-N 0 3 271.355 3.582 20 30 CHEDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCC1(C#N)CCCC1 ZINC001119605805 1131259727 /nfs/dbraw/zinc/25/97/27/1131259727.db2.gz AELZQJWGSGFRKX-UONOGXRCSA-N 0 3 284.403 3.923 20 30 CHEDHN C=CCN(Cc1cnn(C=C)c1)CC1CCCCC1 ZINC000447734963 1124517291 /nfs/dbraw/zinc/51/72/91/1124517291.db2.gz AOZBRJMCYVKZKO-UHFFFAOYSA-N 0 3 259.397 3.552 20 30 CHEDHN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000819951981 1131271695 /nfs/dbraw/zinc/27/16/95/1131271695.db2.gz ITHSNMJQDPHLIQ-UPJWGTAASA-N 0 3 282.343 3.830 20 30 CHEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872131008 1124691530 /nfs/dbraw/zinc/69/15/30/1124691530.db2.gz UXHNZDQNJBNJQN-WZRBSPASSA-N 0 3 297.324 3.833 20 30 CHEDHN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1CC#Cc1ccccc1 ZINC000528585081 1124696867 /nfs/dbraw/zinc/69/68/67/1124696867.db2.gz SJZTVAPCXSTATA-SJPCQFCGSA-N 0 3 287.353 3.690 20 30 CHEDHN C=CC(C)(C)CNCc1nc2c(s1)C[C@H](C)CC2 ZINC000449485220 1124765554 /nfs/dbraw/zinc/76/55/54/1124765554.db2.gz LHJMXOBOKUZRIT-LLVKDONJSA-N 0 3 264.438 3.570 20 30 CHEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCC1CCCCC1 ZINC001123338245 1131311585 /nfs/dbraw/zinc/31/15/85/1131311585.db2.gz ZJCUWKMLZKVQKD-LBPRGKRZSA-N 0 3 293.798 3.610 20 30 CHEDHN CCC[C@@H](CC(C)C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123381200 1131313092 /nfs/dbraw/zinc/31/30/92/1131313092.db2.gz HELOHXOCLIGSFF-WCQYABFASA-N 0 3 294.345 3.998 20 30 CHEDHN C=C(Br)CN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000125106296 1124850043 /nfs/dbraw/zinc/85/00/43/1124850043.db2.gz HCNBZBSNAVIGNE-NEPJUHHUSA-N 0 3 298.224 3.685 20 30 CHEDHN C#C[C@H](CC)NCc1ccc(-c2scnc2C)cc1 ZINC000825878465 1124947897 /nfs/dbraw/zinc/94/78/97/1124947897.db2.gz OHFXKHAUYOJPRX-OAHLLOKOSA-N 0 3 270.401 3.620 20 30 CHEDHN C[C@H](C1CC1)N(Cc1ccccc1)CC1(C#N)CCC1 ZINC000450264047 1124964090 /nfs/dbraw/zinc/96/40/90/1124964090.db2.gz YQGCHPJRMOTJCQ-OAHLLOKOSA-N 0 3 268.404 3.981 20 30 CHEDHN COc1ccc(CN(CC2(C#N)CCC2)[C@@H](C)C2CC2)cc1 ZINC000450288760 1124967491 /nfs/dbraw/zinc/96/74/91/1124967491.db2.gz UDZRJORISVZGPB-HNNXBMFYSA-N 0 3 298.430 3.990 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(C#N)cnc1Cl ZINC000876732868 1124973677 /nfs/dbraw/zinc/97/36/77/1124973677.db2.gz IBYCNIIDJBZMON-OSAQELSMSA-N 0 3 289.810 3.760 20 30 CHEDHN Cc1ccccc1C[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000876945529 1124991737 /nfs/dbraw/zinc/99/17/37/1124991737.db2.gz DPNRNPXFGMQQRS-CYBMUJFWSA-N 0 3 299.805 3.636 20 30 CHEDHN C#C[C@@H](NC1CC(CF)(CF)C1)c1ccc(Cl)cc1 ZINC000825949580 1125020061 /nfs/dbraw/zinc/02/00/61/1125020061.db2.gz XITRFFADIJZPHD-CQSZACIVSA-N 0 3 283.749 3.692 20 30 CHEDHN C=CCN(Cc1cc2c(ccnc2Cl)o1)C1CC1 ZINC000877329908 1125023073 /nfs/dbraw/zinc/02/30/73/1125023073.db2.gz WIKKKKZOJJHYRE-UHFFFAOYSA-N 0 3 262.740 3.632 20 30 CHEDHN C[C@H](NCC1(C#N)CCC1)C(C)(C)c1ccccc1 ZINC000450669308 1125082788 /nfs/dbraw/zinc/08/27/88/1125082788.db2.gz RZZFVMAMKDYONI-AWEZNQCLSA-N 0 3 256.393 3.636 20 30 CHEDHN CC[C@@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000877927617 1125102749 /nfs/dbraw/zinc/10/27/49/1125102749.db2.gz CMKJVOCGPROCDD-MJGOQNOKSA-N 0 3 298.430 3.549 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000878129521 1125122587 /nfs/dbraw/zinc/12/25/87/1125122587.db2.gz KJUDRQHIKMUKLO-JTDSTZFVSA-N 0 3 298.430 3.547 20 30 CHEDHN C#CCCCCCN[C@H](C)c1csc(CC)n1 ZINC000878419171 1125152132 /nfs/dbraw/zinc/15/21/32/1125152132.db2.gz UALJEVJJCSFUEH-GFCCVEGCSA-N 0 3 250.411 3.550 20 30 CHEDHN C#CCCCCCN1CCC[C@@H]1c1csc(C)n1 ZINC000878451272 1125155035 /nfs/dbraw/zinc/15/50/35/1125155035.db2.gz KKUJSCKMSMBQTB-OAHLLOKOSA-N 0 3 262.422 3.782 20 30 CHEDHN C=CC[C@H]1CCN(Cc2coc(-c3ccccc3OC)n2)C1 ZINC000879032210 1125192598 /nfs/dbraw/zinc/19/25/98/1125192598.db2.gz OLUPSMKLGARDLM-AWEZNQCLSA-N 0 3 298.386 3.748 20 30 CHEDHN C[C@@H]1c2ccccc2CCN1CCOc1ccccc1C#N ZINC000531140226 1125197303 /nfs/dbraw/zinc/19/73/03/1125197303.db2.gz KHIXWOBJNXKZKR-OAHLLOKOSA-N 0 3 292.382 3.556 20 30 CHEDHN CN(CCC(C)(C)C#N)Cc1ccc2cc[nH]c2c1 ZINC000879725160 1125228312 /nfs/dbraw/zinc/22/83/12/1125228312.db2.gz UNNKJHWFOWUDMH-UHFFFAOYSA-N 0 3 255.365 3.540 20 30 CHEDHN C=CCCC[C@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000880388819 1125270912 /nfs/dbraw/zinc/27/09/12/1125270912.db2.gz PLZMJPKIQYHLLC-INIZCTEOSA-N 0 3 299.370 3.533 20 30 CHEDHN C=CCCC[C@H](NCc1cncn1C)c1ccccc1 ZINC000880388609 1125271357 /nfs/dbraw/zinc/27/13/57/1125271357.db2.gz MTGOHMHBQKLPIS-KRWDZBQOSA-N 0 3 269.392 3.607 20 30 CHEDHN C[C@H](Cc1ccc(Cl)cc1)NCc1ccccc1C#N ZINC001168152370 1125272840 /nfs/dbraw/zinc/27/28/40/1125272840.db2.gz RDIQVLQJONMDQD-CYBMUJFWSA-N 0 3 284.790 3.932 20 30 CHEDHN C=CCCC[C@H](NCc1cn(C)nc1C)c1ccccc1 ZINC000880390662 1125273038 /nfs/dbraw/zinc/27/30/38/1125273038.db2.gz SLSHDOUGENXQBQ-SFHVURJKSA-N 0 3 283.419 3.916 20 30 CHEDHN Cn1cc(CN(C2CC2)[C@H]2CCc3ccccc32)cc1C#N ZINC000191264623 1125353416 /nfs/dbraw/zinc/35/34/16/1125353416.db2.gz ZXDDIIFOWIMKJN-IBGZPJMESA-N 0 3 291.398 3.549 20 30 CHEDHN C=CCC[C@@H](NCc1nc(C(C)C)cs1)[C@H]1CCCO1 ZINC000883198801 1125376387 /nfs/dbraw/zinc/37/63/87/1125376387.db2.gz QAIMBPDJKFPPPG-UKRRQHHQSA-N 0 3 294.464 3.870 20 30 CHEDHN C=CCCC[C@@H](NCc1c(C)cnn1C)c1ccccc1 ZINC000883325265 1125396860 /nfs/dbraw/zinc/39/68/60/1125396860.db2.gz VEZXHQIEHKHKBZ-QGZVFWFLSA-N 0 3 283.419 3.916 20 30 CHEDHN C=C(C)C[C@@H](CO)NCc1c(Cl)oc2ccccc21 ZINC000883400750 1125408676 /nfs/dbraw/zinc/40/86/76/1125408676.db2.gz UIKVFCNCQRZGAP-NSHDSACASA-N 0 3 279.767 3.503 20 30 CHEDHN C=C(C)C[C@H](CO)NCc1c(Cl)oc2ccccc21 ZINC000883400749 1125408747 /nfs/dbraw/zinc/40/87/47/1125408747.db2.gz UIKVFCNCQRZGAP-LLVKDONJSA-N 0 3 279.767 3.503 20 30 CHEDHN N#Cc1ccc(CNCc2ccc(C3CC3)cc2)s1 ZINC000191680781 1125416579 /nfs/dbraw/zinc/41/65/79/1125416579.db2.gz LHUCZRATYRYPPX-UHFFFAOYSA-N 0 3 268.385 3.787 20 30 CHEDHN C=CCCCCCC[C@@H](O)CNCc1cncc(Cl)c1 ZINC001253255666 1125430276 /nfs/dbraw/zinc/43/02/76/1125430276.db2.gz KVSBXWWKVWBRHD-MRXNPFEDSA-N 0 3 296.842 3.712 20 30 CHEDHN C=CCCCNCc1nc2cc(Br)ccc2o1 ZINC000639119471 1129283756 /nfs/dbraw/zinc/28/37/56/1129283756.db2.gz QYUAYYMIMGKXNC-UHFFFAOYSA-N 0 3 295.180 3.646 20 30 CHEDHN C#CCOc1ccccc1CNC/C(C)=C\c1ccccc1 ZINC000734159047 1129296934 /nfs/dbraw/zinc/29/69/34/1129296934.db2.gz DVKYZISWMDUJFS-VKAVYKQESA-N 0 3 291.394 3.892 20 30 CHEDHN C[C@@H]1CCC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000246599506 1129307809 /nfs/dbraw/zinc/30/78/09/1129307809.db2.gz QJUSMPXEIAFHEY-UPJWGTAASA-N 0 3 282.343 3.830 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](CC=C)c2ccncc2)cc1 ZINC000734509682 1129310420 /nfs/dbraw/zinc/31/04/20/1129310420.db2.gz OUIHXMQVQLANKU-IBGZPJMESA-N 0 3 292.382 3.501 20 30 CHEDHN N#Cc1csc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000093335724 1129421511 /nfs/dbraw/zinc/42/15/11/1129421511.db2.gz MZFSDRBPRDQPFT-CQSZACIVSA-N 0 3 286.375 3.748 20 30 CHEDHN C=CCC[C@H](C)N[C@H]1CCOc2cc(F)cc(F)c21 ZINC001258720881 1129550698 /nfs/dbraw/zinc/55/06/98/1129550698.db2.gz IEMOPYXWOBQQDB-GWCFXTLKSA-N 0 3 267.319 3.733 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000766349916 1129654958 /nfs/dbraw/zinc/65/49/58/1129654958.db2.gz KZYNCKCHWCSPKM-UONOGXRCSA-N 0 3 292.382 3.905 20 30 CHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000766349914 1129655101 /nfs/dbraw/zinc/65/51/01/1129655101.db2.gz KZYNCKCHWCSPKM-KBPBESRZSA-N 0 3 292.382 3.905 20 30 CHEDHN C#CCN(CC)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000746457088 1129665192 /nfs/dbraw/zinc/66/51/92/1129665192.db2.gz WWVZMHJXHUUWJV-LLVKDONJSA-N 0 3 271.282 3.601 20 30 CHEDHN C=CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000746448634 1129665655 /nfs/dbraw/zinc/66/56/55/1129665655.db2.gz CFHUCRAFDANLKM-UHFFFAOYSA-N 0 3 297.320 3.833 20 30 CHEDHN Cc1cccc([C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)c1 ZINC001169206279 1129707413 /nfs/dbraw/zinc/70/74/13/1129707413.db2.gz FKDPDPDOIGZGCQ-LJQANCHMSA-N 0 3 293.385 3.975 20 30 CHEDHN C=C[C@H]1CCCCN1CCOc1ccc(SC)cc1 ZINC001169864387 1129762382 /nfs/dbraw/zinc/76/23/82/1129762382.db2.gz NZGIMNKATKUZKH-AWEZNQCLSA-N 0 3 277.433 3.828 20 30 CHEDHN C=CCN(CCc1ccco1)C[C@]1(C)CC1(Cl)Cl ZINC000828742928 1131397055 /nfs/dbraw/zinc/39/70/55/1131397055.db2.gz HZPJNFTZXBRGAG-ZDUSSCGKSA-N 0 3 288.218 3.894 20 30 CHEDHN C=CCCn1cc(CN[C@H]2CCC[C@H]2CCC(C)C)nn1 ZINC000653634062 1129789410 /nfs/dbraw/zinc/78/94/10/1129789410.db2.gz JEWXDHMQZBLWKQ-RDJZCZTQSA-N 0 3 290.455 3.549 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(N2CCCCC2)cc1 ZINC000768137638 1129835451 /nfs/dbraw/zinc/83/54/51/1129835451.db2.gz QMPKKYOTRFYFAW-UHFFFAOYSA-N 0 3 270.420 3.851 20 30 CHEDHN CC(C)CN(CCC#N)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000768154469 1129836077 /nfs/dbraw/zinc/83/60/77/1129836077.db2.gz UESJXODYIBMESP-DLBZAZTESA-N 0 3 256.393 3.662 20 30 CHEDHN CCCCCCCC[C@H](N)c1nc(C2(N)CCCC2)no1 ZINC000900005822 1129857215 /nfs/dbraw/zinc/85/72/15/1129857215.db2.gz MFPYAMCBSLCKQA-ZDUSSCGKSA-N 0 3 294.443 3.548 20 30 CHEDHN C#CCOc1ccc(CN(C)[C@H](C)c2cccs2)cc1 ZINC000768418115 1129858424 /nfs/dbraw/zinc/85/84/24/1129858424.db2.gz UGZXAUHNQMQHFC-CQSZACIVSA-N 0 3 285.412 3.953 20 30 CHEDHN C=CCCCCC[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769447038 1129910196 /nfs/dbraw/zinc/91/01/96/1129910196.db2.gz SCLWMDXWSJKXPZ-UHFFFAOYSA-N 0 3 263.381 3.579 20 30 CHEDHN C=CCCCCC[N@H+](C)Cc1c([O-])cccc1OC ZINC000769447038 1129910197 /nfs/dbraw/zinc/91/01/97/1129910197.db2.gz SCLWMDXWSJKXPZ-UHFFFAOYSA-N 0 3 263.381 3.579 20 30 CHEDHN C#C[C@H](C)N(C)CCOC(c1ccccc1)c1ccccc1 ZINC000769962120 1129931997 /nfs/dbraw/zinc/93/19/97/1129931997.db2.gz BIHMUAOYSQOQFP-KRWDZBQOSA-N 0 3 293.410 3.746 20 30 CHEDHN CC(C)[C@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1F ZINC000801939014 1129962088 /nfs/dbraw/zinc/96/20/88/1129962088.db2.gz OPICSSRNPYWILW-ABAIWWIYSA-N 0 3 298.789 3.694 20 30 CHEDHN CC[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(C#N)c1 ZINC000902787276 1130058452 /nfs/dbraw/zinc/05/84/52/1130058452.db2.gz ZDXOYGHPDTYHHP-GOSISDBHSA-N 0 3 292.382 3.734 20 30 CHEDHN CC[C@H](N[C@H](CO)c1ccccc1C)c1cccc(C#N)c1 ZINC000902830413 1130065770 /nfs/dbraw/zinc/06/57/70/1130065770.db2.gz NKMGRMKASOQPDZ-RBUKOAKNSA-N 0 3 294.398 3.641 20 30 CHEDHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1cc(C#N)ccn1 ZINC000902873058 1130076368 /nfs/dbraw/zinc/07/63/68/1130076368.db2.gz UOZJWAFLRRSRQV-XGWLTEMNSA-N 0 3 269.392 3.573 20 30 CHEDHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1cc(C#N)ccn1 ZINC000902873056 1130076483 /nfs/dbraw/zinc/07/64/83/1130076483.db2.gz UOZJWAFLRRSRQV-MJEQTWJJSA-N 0 3 269.392 3.573 20 30 CHEDHN C=CCC[N@@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000786100549 1130079124 /nfs/dbraw/zinc/07/91/24/1130079124.db2.gz BQQCSGIDBJMTRI-UHFFFAOYSA-N 0 3 271.360 3.562 20 30 CHEDHN C=CCC[N@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000786100549 1130079130 /nfs/dbraw/zinc/07/91/30/1130079130.db2.gz BQQCSGIDBJMTRI-UHFFFAOYSA-N 0 3 271.360 3.562 20 30 CHEDHN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902890305 1130079904 /nfs/dbraw/zinc/07/99/04/1130079904.db2.gz ZMTRYXLZKIGSGA-CKFHNAJUSA-N 0 3 291.398 3.927 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903014370 1130101093 /nfs/dbraw/zinc/10/10/93/1130101093.db2.gz RCQVEDOQIAZQNF-JTQLQIEISA-N 0 3 258.287 3.717 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](c1ncccn1)C1CC1 ZINC000903325304 1130155176 /nfs/dbraw/zinc/15/51/76/1130155176.db2.gz TUIYTZQZUSFWTB-DZGCQCFKSA-N 0 3 259.397 3.652 20 30 CHEDHN CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cc(F)ccc1OC ZINC000903371438 1130168308 /nfs/dbraw/zinc/16/83/08/1130168308.db2.gz SMRZNWUFHVOKGC-NOLJZWGESA-N 0 3 290.382 3.957 20 30 CHEDHN C[C@H](N[C@H](c1ccncc1)C1CC1)c1cccc(C#N)c1 ZINC000903428402 1130175601 /nfs/dbraw/zinc/17/56/01/1130175601.db2.gz OGWKFEJHODRVGO-UGSOOPFHSA-N 0 3 277.371 3.755 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCCSC2)c([O-])c1 ZINC000749008266 1130258060 /nfs/dbraw/zinc/25/80/60/1130258060.db2.gz UBAQXSZHPPUVJT-FMNVXAMXSA-N 0 3 292.448 3.553 20 30 CHEDHN Clc1ccc(C#CCN2CCC3(CC3)CC2)cc1 ZINC000677716448 1130322069 /nfs/dbraw/zinc/32/20/69/1130322069.db2.gz GENGPABQWJDCJW-UHFFFAOYSA-N 0 3 259.780 3.568 20 30 CHEDHN C=CC[N@@H+](CCOC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000792193743 1130437322 /nfs/dbraw/zinc/43/73/22/1130437322.db2.gz ZFSACZXMMKNDHX-UHFFFAOYSA-N 0 3 297.398 3.694 20 30 CHEDHN C=CC[N@H+](CCOC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000792193743 1130437325 /nfs/dbraw/zinc/43/73/25/1130437325.db2.gz ZFSACZXMMKNDHX-UHFFFAOYSA-N 0 3 297.398 3.694 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)Cc1cccc(Br)c1 ZINC001255158267 1130506385 /nfs/dbraw/zinc/50/63/85/1130506385.db2.gz GISGFZMNUTTWDZ-RISCZKNCSA-N 0 3 295.224 3.662 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)Cc1cccc(Br)c1 ZINC001255158265 1130506786 /nfs/dbraw/zinc/50/67/86/1130506786.db2.gz GISGFZMNUTTWDZ-BXUZGUMPSA-N 0 3 295.224 3.662 20 30 CHEDHN C=CCOCCN[C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000679575964 1130540617 /nfs/dbraw/zinc/54/06/17/1130540617.db2.gz FJIGVFGFNGGZNL-OAHLLOKOSA-N 0 3 295.810 3.654 20 30 CHEDHN C#C[C@@H](NCCCc1ccc(C)nc1)c1ccc(Cl)cc1 ZINC000811516371 1130620106 /nfs/dbraw/zinc/62/01/06/1130620106.db2.gz MWOJSJNKPZLYID-GOSISDBHSA-N 0 3 298.817 3.940 20 30 CHEDHN C=C(C)CN(CC)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759114185 1130636779 /nfs/dbraw/zinc/63/67/79/1130636779.db2.gz RVBBNTPKQXGCJF-AWEZNQCLSA-N 0 3 288.218 3.925 20 30 CHEDHN C#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234996315 1130701630 /nfs/dbraw/zinc/70/16/30/1130701630.db2.gz FKYDTSYAYRDFMM-INIZCTEOSA-N 0 3 291.394 3.904 20 30 CHEDHN C#C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234996315 1130701635 /nfs/dbraw/zinc/70/16/35/1130701635.db2.gz FKYDTSYAYRDFMM-INIZCTEOSA-N 0 3 291.394 3.904 20 30 CHEDHN N#CC(C(=O)CCCC1CC1)c1nccc2ccccc21 ZINC000813089748 1130734428 /nfs/dbraw/zinc/73/44/28/1130734428.db2.gz HAEHBZUOSYNPJC-MRXNPFEDSA-N 0 3 278.355 3.991 20 30 CHEDHN N#CC(C(=O)C1=CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813212113 1130746332 /nfs/dbraw/zinc/74/63/32/1130746332.db2.gz XTMMEXSYLVLMAV-GFCCVEGCSA-N 0 3 294.276 3.777 20 30 CHEDHN CC(C)c1ccccc1CNCc1ccc(C#N)cc1 ZINC000782539228 1130782681 /nfs/dbraw/zinc/78/26/81/1130782681.db2.gz IANOQYBENMIOHG-UHFFFAOYSA-N 0 3 264.372 3.971 20 30 CHEDHN Cc1nc(-c2ccc(F)c(C#N)c2)cc2[nH]ccc21 ZINC001235889678 1130793446 /nfs/dbraw/zinc/79/34/46/1130793446.db2.gz BLHVFQSXWJYPIJ-UHFFFAOYSA-N 0 3 251.264 3.549 20 30 CHEDHN C=CCCSCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000696127491 1130816109 /nfs/dbraw/zinc/81/61/09/1130816109.db2.gz RVVJHWJUTBCBME-CQSZACIVSA-N 0 3 265.422 3.742 20 30 CHEDHN C[C@H]1CCCC[C@@H]1C=Nn1cnnc1-c1ccccc1 ZINC000783821133 1130855900 /nfs/dbraw/zinc/85/59/00/1130855900.db2.gz KCHLYBGDTCMUAZ-DZGCQCFKSA-N 0 3 268.364 3.605 20 30 CHEDHN C[C@@H](C=Nn1cnnc1-c1ccccc1)C1CCCCC1 ZINC000814779358 1130913819 /nfs/dbraw/zinc/91/38/19/1130913819.db2.gz LDIVTYRESOFABI-AWEZNQCLSA-N 0 3 282.391 3.995 20 30 CHEDHN CC1(C)CC(CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000796773968 1130930941 /nfs/dbraw/zinc/93/09/41/1130930941.db2.gz BPULAYXTAYXHEE-GFCCVEGCSA-N 0 3 282.343 3.830 20 30 CHEDHN N#CC(C(=O)CC1CC(c2ccccc2)C1)c1ccccn1 ZINC000798815587 1131050855 /nfs/dbraw/zinc/05/08/55/1131050855.db2.gz ANOYNBGOPXALMS-BDVYOWHSSA-N 0 3 290.366 3.842 20 30 CHEDHN COc1cc(CNCc2ccccc2C(C)C)ccc1C#N ZINC000799342175 1131082805 /nfs/dbraw/zinc/08/28/05/1131082805.db2.gz DHGLRDBMVCXYNT-UHFFFAOYSA-N 0 3 294.398 3.980 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(OC(C)C)c(C)c1 ZINC001237727237 1131134007 /nfs/dbraw/zinc/13/40/07/1131134007.db2.gz MESZKGAEFSGRPA-UHFFFAOYSA-N 0 3 259.393 3.956 20 30 CHEDHN CC[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237751993 1131139658 /nfs/dbraw/zinc/13/96/58/1131139658.db2.gz SDHQZQJKUOXRDM-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN C=C[C@H](COC)NCc1ccc(F)c(-c2cccs2)c1 ZINC001116620326 1131157590 /nfs/dbraw/zinc/15/75/90/1131157590.db2.gz IQUBLUFZGUEAKP-CYBMUJFWSA-N 0 3 291.391 3.845 20 30 CHEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC001116620609 1131158080 /nfs/dbraw/zinc/15/80/80/1131158080.db2.gz LBTQKJWHNYZLMP-NVXWUHKLSA-N 0 3 291.435 3.963 20 30 CHEDHN C#C[C@@H](C)NCc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000817409311 1131159147 /nfs/dbraw/zinc/15/91/47/1131159147.db2.gz IHHDOFCPWRFBGB-OAHLLOKOSA-N 0 3 293.414 3.777 20 30 CHEDHN C=C[C@H](COC)N[C@@H](CCC)c1ccc(Cl)cc1 ZINC001116643651 1131159187 /nfs/dbraw/zinc/15/91/87/1131159187.db2.gz ROERLNAGRKPXPW-CABCVRRESA-N 0 3 267.800 3.972 20 30 CHEDHN CCOc1cc(CN2CCC[C@@H](CC#N)C2)ccc1C ZINC001238071512 1131167657 /nfs/dbraw/zinc/16/76/57/1131167657.db2.gz LTNDSPJYJYSYBV-HNNXBMFYSA-N 0 3 272.392 3.519 20 30 CHEDHN CCCCCC(C)=Nn1cnnc1-c1ccccc1 ZINC000818268552 1131206746 /nfs/dbraw/zinc/20/67/46/1131206746.db2.gz LEDYNACXRWHMBQ-UHFFFAOYSA-N 0 3 256.353 3.749 20 30 CHEDHN Cc1ccc(OC(C)C)cc1CN1CCC[C@H](C#N)CC1 ZINC001238486476 1131207244 /nfs/dbraw/zinc/20/72/44/1131207244.db2.gz RJXXAJKHQPIAQZ-INIZCTEOSA-N 0 3 286.419 3.908 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cnc(-c3ccccc3)c(C)c2)C1 ZINC001238614600 1131221074 /nfs/dbraw/zinc/22/10/74/1131221074.db2.gz JQURWWLGRZBKCF-KRWDZBQOSA-N 0 3 290.410 3.902 20 30 CHEDHN Cc1cccc(C)c1CN1CCc2ccc(C#N)cc2C1 ZINC001137847996 1131423341 /nfs/dbraw/zinc/42/33/41/1131423341.db2.gz OHOSSLNQGVHSHL-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(Cl)c(C)c2)c1 ZINC001202811570 1131423414 /nfs/dbraw/zinc/42/34/14/1131423414.db2.gz HRFKZQPEBIMKEA-UHFFFAOYSA-N 0 3 269.775 3.920 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)C(C)(C)C ZINC000823618184 1131434500 /nfs/dbraw/zinc/43/45/00/1131434500.db2.gz PAPIRRYMBNUBCM-ZDUSSCGKSA-N 0 3 272.392 3.556 20 30 CHEDHN C=CCN(Cc1cn2ccccc2n1)C1CCCCC1 ZINC001136882776 1131470301 /nfs/dbraw/zinc/47/03/01/1131470301.db2.gz FHASDUBUPBUVOO-UHFFFAOYSA-N 0 3 269.392 3.655 20 30 CHEDHN CCCCCCC[C@@H](C)[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000824602971 1131476135 /nfs/dbraw/zinc/47/61/35/1131476135.db2.gz JWCXPSZVTLWZDG-GFCCVEGCSA-N 0 3 264.417 3.521 20 30 CHEDHN C=CC(C)(C)CNCc1ccnc(Cl)c1Cl ZINC000824790256 1131486840 /nfs/dbraw/zinc/48/68/40/1131486840.db2.gz PSOVOWLOXQRDIN-UHFFFAOYSA-N 0 3 259.180 3.690 20 30 CHEDHN CN(Cc1c[nH]c2cccc(F)c12)Cc1cccc(C#N)c1 ZINC001136987212 1131498987 /nfs/dbraw/zinc/49/89/87/1131498987.db2.gz ODJSQMAPMIKQCW-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN Cc1c(CN2CCC(CC#N)CC2)[nH]c2ccc(F)cc12 ZINC001138412346 1131500290 /nfs/dbraw/zinc/50/02/90/1131500290.db2.gz FGEKFOINZQOQTB-UHFFFAOYSA-N 0 3 285.366 3.741 20 30 CHEDHN Cc1ccc2[nH]c(CN3CCC(CC#N)CC3)cc2c1 ZINC001138420270 1131502555 /nfs/dbraw/zinc/50/25/55/1131502555.db2.gz VCIRNSAIDAMQOA-UHFFFAOYSA-N 0 3 267.376 3.602 20 30 CHEDHN C=CCN(C)Cc1c(OCC)ccc2ccccc21 ZINC001138443965 1131507079 /nfs/dbraw/zinc/50/70/79/1131507079.db2.gz LSQWTASHVCQYRF-UHFFFAOYSA-N 0 3 255.361 3.856 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC23CCCC3)c1[O-] ZINC001138625602 1131528255 /nfs/dbraw/zinc/52/82/55/1131528255.db2.gz PZDZPNLYBPWKPT-UHFFFAOYSA-N 0 3 257.377 3.639 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC23CCCC3)c1[O-] ZINC001138625602 1131528257 /nfs/dbraw/zinc/52/82/57/1131528257.db2.gz PZDZPNLYBPWKPT-UHFFFAOYSA-N 0 3 257.377 3.639 20 30 CHEDHN C=CCc1cccc(C[NH+]2CC3(C2)CCCCC3)c1[O-] ZINC001138630224 1131529012 /nfs/dbraw/zinc/52/90/12/1131529012.db2.gz SEWRIMHXVWWERL-UHFFFAOYSA-N 0 3 271.404 3.887 20 30 CHEDHN C=CCN(Cc1cnc(SCC)nc1)C1CCCCC1 ZINC001138658094 1131533174 /nfs/dbraw/zinc/53/31/74/1131533174.db2.gz GDKVAGKPGMTIKB-UHFFFAOYSA-N 0 3 291.464 3.909 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC[C@H](C#N)CC1 ZINC001138665519 1131534010 /nfs/dbraw/zinc/53/40/10/1131534010.db2.gz ODHSCBJZQNQTOD-INIZCTEOSA-N 0 3 284.403 3.767 20 30 CHEDHN C=CCN(C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143809791 1131536211 /nfs/dbraw/zinc/53/62/11/1131536211.db2.gz CKCXHZNKKAGBOY-UHFFFAOYSA-N 0 3 263.690 3.977 20 30 CHEDHN CCN(Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC1 ZINC001139425032 1131608754 /nfs/dbraw/zinc/60/87/54/1131608754.db2.gz YEYTVZAIIOBXCG-UHFFFAOYSA-N 0 3 293.370 3.730 20 30 CHEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)cc1F ZINC001139530928 1131613323 /nfs/dbraw/zinc/61/33/23/1131613323.db2.gz XJQYNMDETZYYKM-IYBDPMFKSA-N 0 3 292.357 3.784 20 30 CHEDHN N#Cc1cccc2c(CN3CC[C@H]4CCC[C@H]4C3)c[nH]c21 ZINC001139704608 1131629989 /nfs/dbraw/zinc/62/99/89/1131629989.db2.gz WUUHLQVRTFEUEO-HIFRSBDPSA-N 0 3 279.387 3.662 20 30 CHEDHN N#Cc1cccc2c(CN3CCC(C(F)F)CC3)c[nH]c21 ZINC001139704731 1131630099 /nfs/dbraw/zinc/63/00/99/1131630099.db2.gz CAMGTJNGGPBXBA-UHFFFAOYSA-N 0 3 289.329 3.517 20 30 CHEDHN N#Cc1cc(F)cc(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001139876084 1131643910 /nfs/dbraw/zinc/64/39/10/1131643910.db2.gz KQIWFPOCKUPGGN-INIZCTEOSA-N 0 3 298.336 3.826 20 30 CHEDHN C#Cc1ccc(CN(CC)Cc2cccc(F)c2)cc1 ZINC001144578866 1131660793 /nfs/dbraw/zinc/66/07/93/1131660793.db2.gz RVAQNYLWMQWEAI-UHFFFAOYSA-N 0 3 267.347 3.829 20 30 CHEDHN C[C@@H](CSC(C)(C)C)NCC1(C#N)CCCC1 ZINC000846010305 1131677782 /nfs/dbraw/zinc/67/77/82/1131677782.db2.gz JMOMSDPUETVAJY-LBPRGKRZSA-N 0 3 254.443 3.580 20 30 CHEDHN CCOc1ccc2[nH]cc(CN3CCC[C@H](C#N)CC3)c2c1 ZINC001140271387 1131686303 /nfs/dbraw/zinc/68/63/03/1131686303.db2.gz DGIDRCTWIDCQEU-AWEZNQCLSA-N 0 3 297.402 3.692 20 30 CHEDHN CCc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000846100903 1131689025 /nfs/dbraw/zinc/68/90/25/1131689025.db2.gz VORFAYHPEJGIRR-OAHLLOKOSA-N 0 3 294.398 3.830 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](C)c1nc(Br)cs1 ZINC000834654609 1131690197 /nfs/dbraw/zinc/69/01/97/1131690197.db2.gz PZKXPKZEEFLJKO-SFYZADRCSA-N 0 3 275.215 3.521 20 30 CHEDHN C#CC[C@@H](N[C@H](CC)c1ccncc1)c1ccccc1 ZINC000834692473 1131694107 /nfs/dbraw/zinc/69/41/07/1131694107.db2.gz CBTOANHEYUQARY-QZTJIDSGSA-N 0 3 264.372 3.887 20 30 CHEDHN C=CCCCN[C@H](C)c1nc(Br)cs1 ZINC000834787215 1131705022 /nfs/dbraw/zinc/70/50/22/1131705022.db2.gz HZRDYKNZPWTHCX-MRVPVSSYSA-N 0 3 275.215 3.522 20 30 CHEDHN C=CC[C@H](CC)N[C@H](C)c1nc(Br)cs1 ZINC000834790645 1131705434 /nfs/dbraw/zinc/70/54/34/1131705434.db2.gz UDNQYXQRQAVYPK-BDAKNGLRSA-N 0 3 289.242 3.911 20 30 CHEDHN C=CCCCCCCCCC(=O)N[C@@]1(C)CCCN(C)C1 ZINC001144798747 1131708908 /nfs/dbraw/zinc/70/89/08/1131708908.db2.gz DSWUKSXZRXAEPT-SFHVURJKSA-N 0 3 294.483 3.894 20 30 CHEDHN CCCCCCCCC/C=C\C(=O)N[C@H]1CCCN(C)C1 ZINC001144808426 1131710432 /nfs/dbraw/zinc/71/04/32/1131710432.db2.gz VOTIQHQJEVILJF-IFCKCIONSA-N 0 3 294.483 3.894 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCc3c2ccc(OC)c3F)c1 ZINC000834901620 1131725041 /nfs/dbraw/zinc/72/50/41/1131725041.db2.gz AGZZWUPXQWAYAP-KRWDZBQOSA-N 0 3 295.357 3.593 20 30 CHEDHN C#Cc1cccc(CN[C@H](CC)c2ccsc2)c1 ZINC000834904150 1131728963 /nfs/dbraw/zinc/72/89/63/1131728963.db2.gz VQDAPJWEURMPFL-MRXNPFEDSA-N 0 3 255.386 3.970 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCCc3nc(CC)sc32)c1 ZINC000834904047 1131729026 /nfs/dbraw/zinc/72/90/26/1131729026.db2.gz UYPRYNXPBFHSGC-HNNXBMFYSA-N 0 3 296.439 3.854 20 30 CHEDHN C#Cc1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000834904001 1131729081 /nfs/dbraw/zinc/72/90/81/1131729081.db2.gz UQDQLFWANSVLDV-WBMJQRKESA-N 0 3 295.357 3.851 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccccc2-c2nccs2)C1 ZINC001140453857 1131744699 /nfs/dbraw/zinc/74/46/99/1131744699.db2.gz OAACNUZBBGLNRU-AWEZNQCLSA-N 0 3 297.427 3.936 20 30 CHEDHN CC1(C)CC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000846960784 1131765394 /nfs/dbraw/zinc/76/53/94/1131765394.db2.gz QJTNPBZYGUZQEF-ZDUSSCGKSA-N 0 3 293.208 3.599 20 30 CHEDHN CC[C@@H]1CCCCN1Cc1cc(C#N)ccc1Cl ZINC001140602829 1131823839 /nfs/dbraw/zinc/82/38/39/1131823839.db2.gz QTLAQKCOHFCXOI-CQSZACIVSA-N 0 3 262.784 3.976 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(Cc1cccc3ccncc31)C2 ZINC001140640319 1131842171 /nfs/dbraw/zinc/84/21/71/1131842171.db2.gz LBJKXCDBIVPQIF-UHFFFAOYSA-N 0 3 299.377 3.665 20 30 CHEDHN C#C[C@@H](Oc1ccc2ccccc2c1CN(C)C)C(C)C ZINC001228441576 1131884803 /nfs/dbraw/zinc/88/48/03/1131884803.db2.gz MHXROWOVEDHJFF-GOSISDBHSA-N 0 3 281.399 3.938 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2ncn(C)c2c1 ZINC001140738588 1131904479 /nfs/dbraw/zinc/90/44/79/1131904479.db2.gz HSQZJSOMDWWODA-UHFFFAOYSA-N 0 3 291.398 3.762 20 30 CHEDHN COC(C)(C)[C@H]1CCCN1Cc1cccc(C#N)c1Cl ZINC001140810020 1131932103 /nfs/dbraw/zinc/93/21/03/1131932103.db2.gz QYNXILXXANFCAH-CQSZACIVSA-N 0 3 292.810 3.601 20 30 CHEDHN CCCCCCC[N@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141027242 1131986844 /nfs/dbraw/zinc/98/68/44/1131986844.db2.gz RSHIIJRNOIXTNO-UHFFFAOYSA-N 0 3 295.423 3.812 20 30 CHEDHN CCCCCCC[N@@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141027242 1131986847 /nfs/dbraw/zinc/98/68/47/1131986847.db2.gz RSHIIJRNOIXTNO-UHFFFAOYSA-N 0 3 295.423 3.812 20 30 CHEDHN CCCN(Cc1sc(N)c(C#N)c1Cl)[C@@H](C)CC ZINC001141109542 1132020712 /nfs/dbraw/zinc/02/07/12/1132020712.db2.gz TXMXJDREEUFMQQ-VIFPVBQESA-N 0 3 285.844 3.866 20 30 CHEDHN C[C@@H](NCc1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000037211061 1132022608 /nfs/dbraw/zinc/02/26/08/1132022608.db2.gz VSTLVLHVGDZYNR-CYBMUJFWSA-N 0 3 284.334 3.579 20 30 CHEDHN C[C@@]1(c2cccc(F)c2)CCN(Cc2ccc(C#N)cc2)C1 ZINC001171771603 1132092952 /nfs/dbraw/zinc/09/29/52/1132092952.db2.gz HIUVEZHSPJYOLP-LJQANCHMSA-N 0 3 294.373 3.861 20 30 CHEDHN C=C1CC=C(F)C=C1N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171735473 1132098750 /nfs/dbraw/zinc/09/87/50/1132098750.db2.gz WLCFLNRTAYNGNT-MAUKXSAKSA-N 0 3 298.405 3.936 20 30 CHEDHN C=C[C@@H](C#CC(C)(C)C)Oc1ccccc1CN(C)C ZINC001229701436 1132107368 /nfs/dbraw/zinc/10/73/68/1132107368.db2.gz JNUPPXLUPAOSFA-INIZCTEOSA-N 0 3 271.404 3.731 20 30 CHEDHN Cc1nc(C(F)(F)F)ccc1CN1CCC(CC#N)CC1 ZINC001141431021 1132124160 /nfs/dbraw/zinc/12/41/60/1132124160.db2.gz WZMSFIYZNWIDLM-UHFFFAOYSA-N 0 3 297.324 3.535 20 30 CHEDHN C[C@H](C#N)OCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000839127804 1132183653 /nfs/dbraw/zinc/18/36/53/1132183653.db2.gz YMGLXGKMZQHMNK-NVXWUHKLSA-N 0 3 284.403 3.532 20 30 CHEDHN CCCCCCC[C@H](CC)N1CCc2ncncc2C1 ZINC001172354317 1132184271 /nfs/dbraw/zinc/18/42/71/1132184271.db2.gz GILGMVODQVVMFT-INIZCTEOSA-N 0 3 275.440 3.974 20 30 CHEDHN CCCCCCC[C@H](CC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172357907 1132186595 /nfs/dbraw/zinc/18/65/95/1132186595.db2.gz MTJVSMMHSASTSY-GJZGRUSLSA-N 0 3 286.460 3.635 20 30 CHEDHN C[C@H](CCCC#N)N1CCc2ccc(Cl)cc2C1 ZINC001172490965 1132247283 /nfs/dbraw/zinc/24/72/83/1132247283.db2.gz BAYMQVZEDJOFHB-GFCCVEGCSA-N 0 3 262.784 3.780 20 30 CHEDHN C[C@@H](CCCC#N)N1CCc2c(Cl)cccc2C1 ZINC001172499652 1132250125 /nfs/dbraw/zinc/25/01/25/1132250125.db2.gz FRKSKLBCXSMXKV-LBPRGKRZSA-N 0 3 262.784 3.780 20 30 CHEDHN N#C[C@@H]1CCN([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172551472 1132263815 /nfs/dbraw/zinc/26/38/15/1132263815.db2.gz HKUNXOIDDAKZCA-UAGQMJEPSA-N 0 3 254.377 3.558 20 30 CHEDHN CCN(CCC#N)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172553313 1132265545 /nfs/dbraw/zinc/26/55/45/1132265545.db2.gz PMLQFNDAGOTDEL-SJORKVTESA-N 0 3 256.393 3.948 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(OC)cc2C)c1 ZINC000840756732 1132282091 /nfs/dbraw/zinc/28/20/91/1132282091.db2.gz DVYREMOFSPRVHK-HNNXBMFYSA-N 0 3 279.383 3.836 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(Cl)nn1 ZINC001142070885 1132317515 /nfs/dbraw/zinc/31/75/15/1132317515.db2.gz JLPIBCYDTDTMDT-UHFFFAOYSA-N 0 3 255.793 3.532 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC(C(C)(C)C)CC1 ZINC001231616925 1132326886 /nfs/dbraw/zinc/32/68/86/1132326886.db2.gz SDKSYVRDGHILMB-UHFFFAOYSA-N 0 3 286.419 3.825 20 30 CHEDHN FC(F)CON=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841633365 1132379231 /nfs/dbraw/zinc/37/92/31/1132379231.db2.gz VORPOLGPNUPESB-HNNXBMFYSA-N 0 3 294.345 3.624 20 30 CHEDHN C[C@@H]1CCCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232112622 1132424042 /nfs/dbraw/zinc/42/40/42/1132424042.db2.gz ZTLNIERGMQGWJH-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN CC[C@H]1CCCC[C@@H]1C=Nn1cnnc1-c1ccccc1 ZINC000842524342 1132437154 /nfs/dbraw/zinc/43/71/54/1132437154.db2.gz ADNPIIAGGDNKAN-GOEBONIOSA-N 0 3 282.391 3.995 20 30 CHEDHN CC(C)ON=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842536260 1132438138 /nfs/dbraw/zinc/43/81/38/1132438138.db2.gz PQIQWJGGCKGRBZ-UHFFFAOYSA-N 0 3 272.392 3.596 20 30 CHEDHN C=CCN(Cc1cc(Br)co1)C(C)(C)C ZINC001232856331 1132531474 /nfs/dbraw/zinc/53/14/74/1132531474.db2.gz QTBVFDJKMWROMS-UHFFFAOYSA-N 0 3 272.186 3.829 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc(C2CC2)cs1)c1ccco1 ZINC000842940530 1132480718 /nfs/dbraw/zinc/48/07/18/1132480718.db2.gz GBYWXSSASSTVQC-KOLCDFICSA-N 0 3 286.356 3.593 20 30 CHEDHN C#Cc1ccc(CNC2(c3cccc(F)c3)CCC2)cc1 ZINC000843422385 1132530475 /nfs/dbraw/zinc/53/04/75/1132530475.db2.gz NEGGGCBXPHWFKT-UHFFFAOYSA-N 0 3 279.358 3.976 20 30 CHEDHN SC1CCN(Cc2cncc(-c3ccccc3)c2)CC1 ZINC001232902452 1132539014 /nfs/dbraw/zinc/53/90/14/1132539014.db2.gz LMGXYZOFSOOTDE-UHFFFAOYSA-N 0 3 284.428 3.643 20 30 CHEDHN N#Cc1cccc(CN(Cc2ccccc2)C2CCC2)n1 ZINC001232927292 1132545035 /nfs/dbraw/zinc/54/50/35/1132545035.db2.gz XZDBAXHOPIKMHX-UHFFFAOYSA-N 0 3 277.371 3.508 20 30 CHEDHN Cc1ccc(Cl)cc1CN1CCC(CC#N)CC1 ZINC001233250178 1132588395 /nfs/dbraw/zinc/58/83/95/1132588395.db2.gz YUJQQLNYTBXJRT-UHFFFAOYSA-N 0 3 262.784 3.774 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cccc2nccn21 ZINC001233363110 1132609707 /nfs/dbraw/zinc/60/97/07/1132609707.db2.gz ICNKHUWSEZPXKP-UHFFFAOYSA-N 0 3 291.398 3.913 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cc(F)cc(F)c1C#N ZINC001173931788 1132644960 /nfs/dbraw/zinc/64/49/60/1132644960.db2.gz OJFNQWZRPMKGSG-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN C#Cc1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1 ZINC001174395204 1132810124 /nfs/dbraw/zinc/81/01/24/1132810124.db2.gz UMBBXRHLOWJHTI-UHFFFAOYSA-N 0 3 288.394 3.870 20 30 CHEDHN N#Cc1c2ccc(Cl)cc2sc1N=C1CCCNC1 ZINC001159216813 1132816958 /nfs/dbraw/zinc/81/69/58/1132816958.db2.gz QKEQRYISAXIVCQ-UHFFFAOYSA-N 0 3 289.791 3.715 20 30 CHEDHN N#CCc1cncc(NC(=N)C23CC4CC(CC(C4)C2)C3)c1 ZINC001163847714 1133178908 /nfs/dbraw/zinc/17/89/08/1133178908.db2.gz CEFFCMAVRZWNMW-UHFFFAOYSA-N 0 3 294.402 3.753 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC001203937686 1133386115 /nfs/dbraw/zinc/38/61/15/1133386115.db2.gz LTLGQJZMYHLGQQ-UHFFFAOYSA-N 0 3 280.415 3.941 20 30 CHEDHN N#Cc1ccc(Nc2ccnc(C3CC3)c2)cc1F ZINC001204059456 1133404909 /nfs/dbraw/zinc/40/49/09/1133404909.db2.gz NYIAMIBTUFTYQA-UHFFFAOYSA-N 0 3 253.280 3.713 20 30 CHEDHN N#Cc1cccc(C2CCN(Cc3ccoc3)CC2)c1 ZINC001204243515 1133424910 /nfs/dbraw/zinc/42/49/10/1133424910.db2.gz XQEBOXJIXDBIAX-UHFFFAOYSA-N 0 3 266.344 3.531 20 30 CHEDHN C=C(C)CN(CC)Cc1ccccc1OC(F)(F)F ZINC001204429314 1133446427 /nfs/dbraw/zinc/44/64/27/1133446427.db2.gz VYGWTYGMYAHTES-UHFFFAOYSA-N 0 3 273.298 3.983 20 30 CHEDHN CN(CC#Cc1ccccc1)CCC1CCCCC1 ZINC001204609835 1133466788 /nfs/dbraw/zinc/46/67/88/1133466788.db2.gz ZQRPMDKPHHJVIG-UHFFFAOYSA-N 0 3 255.405 3.940 20 30 CHEDHN CN(C/C=C\c1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC001204728980 1133479791 /nfs/dbraw/zinc/47/97/91/1133479791.db2.gz JAQYXZVTGVJBKR-HYXAFXHYSA-N 0 3 280.346 3.843 20 30 CHEDHN CCCN(Cc1cccc(C#N)n1)[C@H]1CCc2ccccc21 ZINC001204803257 1133487745 /nfs/dbraw/zinc/48/77/45/1133487745.db2.gz KIAUYRLUSFEKBA-IBGZPJMESA-N 0 3 291.398 3.853 20 30 CHEDHN C#C[C@H](N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(Cl)cc1 ZINC001206091199 1133656114 /nfs/dbraw/zinc/65/61/14/1133656114.db2.gz ILDMUHHWFCPCFY-QCEMKRCNSA-N 0 3 259.780 3.793 20 30 CHEDHN CCCCCCCCN(C)Cc1cnc(C)n1C ZINC001206794383 1133749566 /nfs/dbraw/zinc/74/95/66/1133749566.db2.gz XFCMCJROSKROCD-UHFFFAOYSA-N 0 3 251.418 3.521 20 30 CHEDHN CC(C)c1ccc(C[C@@H](C)CN2CC(CC#N)C2)cc1 ZINC001207933414 1133865741 /nfs/dbraw/zinc/86/57/41/1133865741.db2.gz ZLYZOROVVGMHOP-OAHLLOKOSA-N 0 3 270.420 3.834 20 30 CHEDHN C=CCCCCN1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001209205345 1133988515 /nfs/dbraw/zinc/98/85/15/1133988515.db2.gz WBXRRADOPVNKJS-GOSISDBHSA-N 0 3 273.420 3.899 20 30 CHEDHN C=CCCCCCN1CCc2nc(C)sc2C1 ZINC001209427219 1134016357 /nfs/dbraw/zinc/01/63/57/1134016357.db2.gz KNCOVEGZKHOSGE-UHFFFAOYSA-N 0 3 250.411 3.556 20 30 CHEDHN CCCCCCCN(C)Cc1nn(C)c2ccccc12 ZINC001209581252 1134038595 /nfs/dbraw/zinc/03/85/95/1134038595.db2.gz MKCFDUHQBKENQY-UHFFFAOYSA-N 0 3 273.424 3.976 20 30 CHEDHN COc1ccc2oc(CN3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc2c1 ZINC001209772720 1134063229 /nfs/dbraw/zinc/06/32/29/1134063229.db2.gz YUUKIBOOCVOECW-XMQYKBBCSA-N 0 3 296.370 3.708 20 30 CHEDHN CC(C)(C)c1cc(Nc2c(O)cccc2C#N)ccn1 ZINC001213168200 1134432827 /nfs/dbraw/zinc/43/28/27/1134432827.db2.gz AFZQOKWLYAHLAE-UHFFFAOYSA-N 0 3 267.332 3.700 20 30 CHEDHN CC(C)(C)c1cc(Nc2ccc(C#N)cc2C#N)ccn1 ZINC001213170397 1134434196 /nfs/dbraw/zinc/43/41/96/1134434196.db2.gz CHDQCXDKDYPEBV-UHFFFAOYSA-N 0 3 276.343 3.866 20 30 CHEDHN CC(C)(C)C1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000403968856 1134902378 /nfs/dbraw/zinc/90/23/78/1134902378.db2.gz APUAHIWSODMALO-UHFFFAOYSA-N 0 3 274.383 3.955 20 30 CHEDHN CCc1ccccc1CNCc1ccc(C#N)c(F)c1 ZINC000404106096 1134921982 /nfs/dbraw/zinc/92/19/82/1134921982.db2.gz GRVHAPXIDXIQAM-UHFFFAOYSA-N 0 3 268.335 3.550 20 30 CHEDHN N#Cc1ccc(CNCc2ccccc2C2CC2)cc1F ZINC000404578915 1134946086 /nfs/dbraw/zinc/94/60/86/1134946086.db2.gz VWFJHTCKDXRVGJ-UHFFFAOYSA-N 0 3 280.346 3.865 20 30 CHEDHN CCCCCCC[C@H](CCC)OC[C@H]1CNCCO1 ZINC001217896082 1135020307 /nfs/dbraw/zinc/02/03/07/1135020307.db2.gz HPUQEMZOGNRMSQ-JKSUJKDBSA-N 0 3 271.445 3.521 20 30 CHEDHN C=CC[C@H](OC[C@H]1COC(C)(C)N1)c1ccc(Cl)cc1 ZINC001217930787 1135026266 /nfs/dbraw/zinc/02/62/66/1135026266.db2.gz MOGPCCHPTLYXQD-GJZGRUSLSA-N 0 3 295.810 3.698 20 30 CHEDHN F[C@@H]1CNCC[C@@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001218066258 1135054185 /nfs/dbraw/zinc/05/41/85/1135054185.db2.gz KHDBLMGMPDHDEN-AEFFLSMTSA-N 0 3 298.361 3.516 20 30 CHEDHN C=CCc1ccc(O[C@H]2CNCc3ccccc32)c(OC)c1 ZINC001218485912 1135115330 /nfs/dbraw/zinc/11/53/30/1135115330.db2.gz FVHMJOKPMUHVKV-IBGZPJMESA-N 0 3 295.382 3.647 20 30 CHEDHN CC#CCCCCCCCC(=O)Nc1cccc2c1CNC2 ZINC001218993624 1135124544 /nfs/dbraw/zinc/12/45/44/1135124544.db2.gz RGTIUWYNVXWTSY-UHFFFAOYSA-N 0 3 298.430 3.982 20 30 CHEDHN C=CCCCO[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224510411 1135455365 /nfs/dbraw/zinc/45/53/65/1135455365.db2.gz ZZUBFBKUGRTTPS-HZPDHXFCSA-N 0 3 274.408 3.590 20 30 CHEDHN N#CCc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000573323514 334927809 /nfs/dbraw/zinc/92/78/09/334927809.db2.gz LMDNLOUMQIUYEP-LJQANCHMSA-N 0 3 292.382 3.625 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(F)c(F)c1 ZINC000414160398 262818997 /nfs/dbraw/zinc/81/89/97/262818997.db2.gz CVFMEUIKTIGSGT-JTQLQIEISA-N 0 3 252.308 3.555 20 30 CHEDHN C=CCC[C@H](C)NCc1ccccc1Br ZINC000096034300 185068151 /nfs/dbraw/zinc/06/81/51/185068151.db2.gz LWLCDOIUBAAJDG-NSHDSACASA-N 0 3 268.198 3.893 20 30 CHEDHN CCSCCN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000172385614 261153913 /nfs/dbraw/zinc/15/39/13/261153913.db2.gz CCOFLZSXWVULAM-CYBMUJFWSA-N 0 3 262.422 3.694 20 30 CHEDHN COc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1Cl ZINC000574290875 335007075 /nfs/dbraw/zinc/00/70/75/335007075.db2.gz VRZFPIQQQDBKFO-LLVKDONJSA-N 0 3 280.799 3.939 20 30 CHEDHN CCC[C@@H](CCc1ccccc1)NCC1(C#N)CC1 ZINC000574350903 335012757 /nfs/dbraw/zinc/01/27/57/335012757.db2.gz PYVCOCXTIWRCGZ-INIZCTEOSA-N 0 3 256.393 3.681 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Br)cs1 ZINC000381291249 327427827 /nfs/dbraw/zinc/42/78/27/327427827.db2.gz DFDUNFVPGNHLGZ-ATZCPNFKSA-N 0 3 299.237 3.853 20 30 CHEDHN C[C@@H]1CCN(CCCSCC#N)[C@H](c2ccco2)C1 ZINC000173903621 261549222 /nfs/dbraw/zinc/54/92/22/261549222.db2.gz DWBULXXOXOMWOU-KGLIPLIRSA-N 0 3 278.421 3.699 20 30 CHEDHN CC[C@@H](CC#N)NCCCCCOc1ccccc1 ZINC000188486668 262157082 /nfs/dbraw/zinc/15/70/82/262157082.db2.gz ZBCMRQHEEJFNMB-HNNXBMFYSA-N 0 3 260.381 3.518 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000186708240 260008142 /nfs/dbraw/zinc/00/81/42/260008142.db2.gz VODMDSSOXMYEOL-HIFRSBDPSA-N 0 3 271.360 3.534 20 30 CHEDHN C=CCCOCCNCc1ccc(F)c(C(F)(F)F)c1 ZINC000120833126 262237024 /nfs/dbraw/zinc/23/70/24/262237024.db2.gz WTXOVCKPVQWKLF-UHFFFAOYSA-N 0 3 291.288 3.527 20 30 CHEDHN C[C@@H]1C[C@@H](NCCCC#N)c2ccsc2S1 ZINC000336692092 262380187 /nfs/dbraw/zinc/38/01/87/262380187.db2.gz KXDLGSRCWDPLHT-MWLCHTKSSA-N 0 3 252.408 3.567 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1C(C)C ZINC000347268567 533494131 /nfs/dbraw/zinc/49/41/31/533494131.db2.gz ULOJSGBYDSUCEM-MRXNPFEDSA-N 0 3 272.392 3.577 20 30 CHEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000347295764 533495270 /nfs/dbraw/zinc/49/52/70/533495270.db2.gz CHKPUUPYSBNMPP-BBRMVZONSA-N 0 3 272.392 3.577 20 30 CHEDHN CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000035256358 172085921 /nfs/dbraw/zinc/08/59/21/172085921.db2.gz OLPRLUNOLBOQLG-CQSZACIVSA-N 0 3 280.371 3.808 20 30 CHEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(C)c1O ZINC000035256370 172086454 /nfs/dbraw/zinc/08/64/54/172086454.db2.gz WXQINQVUHOGWQR-CQSZACIVSA-N 0 3 280.371 3.732 20 30 CHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CCC2 ZINC000344709268 225154520 /nfs/dbraw/zinc/15/45/20/225154520.db2.gz RWFIDOVPMBABSD-KRWDZBQOSA-N 0 3 298.411 3.796 20 30 CHEDHN CC(C#N)C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000334791364 225322953 /nfs/dbraw/zinc/32/29/53/225322953.db2.gz QFMGFYPPPBVSCV-HOCLYGCPSA-N 0 3 282.387 3.680 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@]2(CCCOC2)C1 ZINC000336540207 227106817 /nfs/dbraw/zinc/10/68/17/227106817.db2.gz IYESFXJMBLICCI-QAPCUYQASA-N 0 3 284.403 3.512 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000336540203 227107025 /nfs/dbraw/zinc/10/70/25/227107025.db2.gz IYESFXJMBLICCI-CRAIPNDOSA-N 0 3 284.403 3.512 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000352819188 227256874 /nfs/dbraw/zinc/25/68/74/227256874.db2.gz ADGOLCBVIJSPIP-GDBMZVCRSA-N 0 3 297.427 3.516 20 30 CHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(O)c1 ZINC000037319314 260087549 /nfs/dbraw/zinc/08/75/49/260087549.db2.gz BARYYDRUGUWIAE-STQMWFEESA-N 0 3 266.344 3.676 20 30 CHEDHN C[C@H](NCCC[C@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000354989232 227290311 /nfs/dbraw/zinc/29/03/11/227290311.db2.gz WTXGOIWRBQMBJC-DZGCQCFKSA-N 0 3 290.382 3.697 20 30 CHEDHN COC[C@@H](NCC(C)(C)CCC#N)c1cccc(Cl)c1 ZINC000353623128 228133833 /nfs/dbraw/zinc/13/38/33/228133833.db2.gz FKUJXZNQEDYSFM-OAHLLOKOSA-N 0 3 294.826 3.947 20 30 CHEDHN COC[C@H](NCC(C)(C)CCC#N)c1cccc(Cl)c1 ZINC000353623126 228134250 /nfs/dbraw/zinc/13/42/50/228134250.db2.gz FKUJXZNQEDYSFM-HNNXBMFYSA-N 0 3 294.826 3.947 20 30 CHEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000336157369 228199315 /nfs/dbraw/zinc/19/93/15/228199315.db2.gz AXXWYQCQGQWTMO-SCLBCKFNSA-N 0 3 277.371 3.681 20 30 CHEDHN Cc1cc(CNCc2cccc(C#N)c2)ccc1Cl ZINC000180790996 260111576 /nfs/dbraw/zinc/11/15/76/260111576.db2.gz HJUUQWBSXDFYIG-UHFFFAOYSA-N 0 3 270.763 3.810 20 30 CHEDHN C=CCN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000309499880 260171359 /nfs/dbraw/zinc/17/13/59/260171359.db2.gz LGQIRQKTXSBWPZ-ZDUSSCGKSA-N 0 3 284.172 3.815 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(SC)cc1 ZINC000090451049 260359375 /nfs/dbraw/zinc/35/93/75/260359375.db2.gz VNDIGIPBFAMBRA-ZDUSSCGKSA-N 0 3 265.422 3.652 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000090451212 260359570 /nfs/dbraw/zinc/35/95/70/260359570.db2.gz FKWTXTIOBYUPOV-GFCCVEGCSA-N 0 3 287.325 3.949 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000090450944 260359680 /nfs/dbraw/zinc/35/96/80/260359680.db2.gz YIFMODPPXOKXDK-HNNXBMFYSA-N 0 3 277.408 3.717 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccccc1OC(F)F ZINC000090450867 260359941 /nfs/dbraw/zinc/35/99/41/260359941.db2.gz YAONWULGWJKOHO-LBPRGKRZSA-N 0 3 285.334 3.531 20 30 CHEDHN COc1ccc(C#N)cc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000130425692 260395626 /nfs/dbraw/zinc/39/56/26/260395626.db2.gz YOMPBGXUAFQHDP-BBRMVZONSA-N 0 3 272.392 3.577 20 30 CHEDHN C=CCC[C@H](NCc1ccc(OC)nc1)c1ccccc1 ZINC000159897923 260929108 /nfs/dbraw/zinc/92/91/08/260929108.db2.gz HGRYMVFTBGEHTA-KRWDZBQOSA-N 0 3 282.387 3.887 20 30 CHEDHN COc1cc(C)cc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000155018782 261096963 /nfs/dbraw/zinc/09/69/63/261096963.db2.gz RVCXWWKSOCIDPI-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN Cc1cccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000155767756 261107494 /nfs/dbraw/zinc/10/74/94/261107494.db2.gz GXXARXLEYWQOFN-ZDUSSCGKSA-N 0 3 299.399 3.821 20 30 CHEDHN CCC[C@@H](NCc1cccc(C#N)c1)c1cccnc1 ZINC000184987462 262035859 /nfs/dbraw/zinc/03/58/59/262035859.db2.gz MZAPRFKTOFPDLC-QGZVFWFLSA-N 0 3 265.360 3.584 20 30 CHEDHN C=CC[C@@H](CO)NCc1cccc(Oc2ccccc2)c1 ZINC000184263046 262274708 /nfs/dbraw/zinc/27/47/08/262274708.db2.gz AHNSTSDWFMMQDW-INIZCTEOSA-N 0 3 283.371 3.506 20 30 CHEDHN CCc1cnccc1[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000488303456 262308069 /nfs/dbraw/zinc/30/80/69/262308069.db2.gz UVYYSIHVZRSIBX-AWEZNQCLSA-N 0 3 279.387 3.675 20 30 CHEDHN C=CC[C@H](CO)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000186706972 262321271 /nfs/dbraw/zinc/32/12/71/262321271.db2.gz UMCMPZHQTFVHKC-VHSXEESVSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CCSCCN[C@@H](C)c1ccccc1OCC ZINC000221936743 262333600 /nfs/dbraw/zinc/33/36/00/262333600.db2.gz NRCFNVRXGWKZEI-ZDUSSCGKSA-N 0 3 265.422 3.655 20 30 CHEDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000339070639 262593068 /nfs/dbraw/zinc/59/30/68/262593068.db2.gz CKSVZSHBXAASSM-JLJPHGGASA-N 0 3 294.402 3.524 20 30 CHEDHN C=CCC1(CN[C@H](C)c2cc3n(n2)CCC3)CCCC1 ZINC000414155095 262811669 /nfs/dbraw/zinc/81/16/69/262811669.db2.gz UYMOLUGVMHAQIB-CQSZACIVSA-N 0 3 273.424 3.616 20 30 CHEDHN C[C@H](NCC(C)(C)OCC1CC1)c1ccc(C#N)c(F)c1 ZINC000414279207 262835067 /nfs/dbraw/zinc/83/50/67/262835067.db2.gz ZOFTUERSEPZPKB-LBPRGKRZSA-N 0 3 290.382 3.553 20 30 CHEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000414588437 263001448 /nfs/dbraw/zinc/00/14/48/263001448.db2.gz VUANYKDTOVRYKL-UONOGXRCSA-N 0 3 292.448 3.692 20 30 CHEDHN CC(C)Oc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000274217519 263022039 /nfs/dbraw/zinc/02/20/39/263022039.db2.gz PDHFOMIBESTXQX-HOTGVXAUSA-N 0 3 272.392 3.646 20 30 CHEDHN Cc1cc([C@H](N[C@H]2CC[C@H](C#N)C2)C2CC2)ccc1F ZINC000274594061 263027229 /nfs/dbraw/zinc/02/72/29/263027229.db2.gz FXIAYCNWFNNVQH-YLQAJVPDSA-N 0 3 272.367 3.867 20 30 CHEDHN Cc1cc2c(cc1C)[C@@H](NCCCC#N)CCS2 ZINC000275350942 263033045 /nfs/dbraw/zinc/03/30/45/263033045.db2.gz QPRJTSCBNUSRCZ-AWEZNQCLSA-N 0 3 260.406 3.734 20 30 CHEDHN CO[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000278672748 263049634 /nfs/dbraw/zinc/04/96/34/263049634.db2.gz JGWKITJLQPZAJW-DAXOMENPSA-N 0 3 292.810 3.699 20 30 CHEDHN COC[C@H](NCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000278882536 263051634 /nfs/dbraw/zinc/05/16/34/263051634.db2.gz PHYPHVJNULVUEV-AWEZNQCLSA-N 0 3 280.799 3.557 20 30 CHEDHN CCOc1ccccc1[C@H](CC)N[C@@H]1CC[C@@H](C#N)C1 ZINC000281997181 263073429 /nfs/dbraw/zinc/07/34/29/263073429.db2.gz PZNQNWMZHFADHR-FMKPAKJESA-N 0 3 272.392 3.818 20 30 CHEDHN CC(C)Oc1cccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000282026853 263073766 /nfs/dbraw/zinc/07/37/66/263073766.db2.gz SSKIQADHYBJAGU-LZWOXQAQSA-N 0 3 272.392 3.817 20 30 CHEDHN N#CC1CCC(CNCc2cccc(Cl)c2F)CC1 ZINC000282248957 263075360 /nfs/dbraw/zinc/07/53/60/263075360.db2.gz GLNQYUJPJDCVMU-UHFFFAOYSA-N 0 3 280.774 3.899 20 30 CHEDHN N#CCCCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000286621458 263098922 /nfs/dbraw/zinc/09/89/22/263098922.db2.gz SBCWOAYADHTVHS-AWEZNQCLSA-N 0 3 298.308 3.930 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000340312232 263108969 /nfs/dbraw/zinc/10/89/69/263108969.db2.gz IYZOISKEULJUSS-AWEZNQCLSA-N 0 3 259.393 3.807 20 30 CHEDHN COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000290142680 263114929 /nfs/dbraw/zinc/11/49/29/263114929.db2.gz CGXZNQYQVPZRGS-WQVCFCJDSA-N 0 3 292.810 3.699 20 30 CHEDHN CCN(CCOCCC#N)Cc1ccc2ccccc2c1 ZINC000293634320 263145254 /nfs/dbraw/zinc/14/52/54/263145254.db2.gz XAODMHGXUXQQPU-UHFFFAOYSA-N 0 3 282.387 3.592 20 30 CHEDHN C[C@H](CCC#N)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000298605476 263222987 /nfs/dbraw/zinc/22/29/87/263222987.db2.gz SRBHQXZNDINMKW-VCTAVGKDSA-N 0 3 296.773 3.591 20 30 CHEDHN C[C@H](CCC#N)N(C)CCc1ccc(Cl)cc1 ZINC000299447280 263242434 /nfs/dbraw/zinc/24/24/34/263242434.db2.gz YTKQSHAPCIPRDP-GFCCVEGCSA-N 0 3 250.773 3.507 20 30 CHEDHN C[C@@H](CCC#N)N(C)Cc1ccc(Cl)c(F)c1 ZINC000299648449 263250888 /nfs/dbraw/zinc/25/08/88/263250888.db2.gz KUDPIILCCAUKOK-JTQLQIEISA-N 0 3 254.736 3.603 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCc1ccccc1 ZINC000187713804 263267476 /nfs/dbraw/zinc/26/74/76/263267476.db2.gz AWTRQJQTWNKHCC-MRXNPFEDSA-N 0 3 294.398 3.768 20 30 CHEDHN C=CCN(C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000121474969 263294035 /nfs/dbraw/zinc/29/40/35/263294035.db2.gz ZOJNQNRKIWMXSM-UHFFFAOYSA-N 0 3 276.380 3.651 20 30 CHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](CC)c1ccccc1 ZINC000341185700 263329201 /nfs/dbraw/zinc/32/92/01/263329201.db2.gz AYHAPXGTAZEJPQ-NVXWUHKLSA-N 0 3 288.435 3.540 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000341448751 263335611 /nfs/dbraw/zinc/33/56/11/263335611.db2.gz DCEOIPIPXHTSPD-CYBMUJFWSA-N 0 3 287.407 3.587 20 30 CHEDHN N#CCCCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000341593227 263343833 /nfs/dbraw/zinc/34/38/33/263343833.db2.gz ZHLHOKUILDCDPZ-ZDUSSCGKSA-N 0 3 270.298 3.964 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(C2CC2)cc1 ZINC000417355049 263799261 /nfs/dbraw/zinc/79/92/61/263799261.db2.gz NCGUBYZEVFRRGE-DCGLDWPTSA-N 0 3 254.377 3.907 20 30 CHEDHN CC#CCN[C@H](CC)c1ccc(Br)cc1 ZINC000160558182 264249184 /nfs/dbraw/zinc/24/91/84/264249184.db2.gz GPLHQWUKXPNMGP-CYBMUJFWSA-N 0 3 266.182 3.513 20 30 CHEDHN C=CCC[C@@H](NCC1(CCO)CCCC1)c1ccco1 ZINC000286041377 264574670 /nfs/dbraw/zinc/57/46/70/264574670.db2.gz KNWNXSHUIJBUNR-OAHLLOKOSA-N 0 3 277.408 3.819 20 30 CHEDHN CC[C@H](NCc1cc(C#N)cs1)c1ccc(OC)cc1 ZINC000093492141 265182286 /nfs/dbraw/zinc/18/22/86/265182286.db2.gz OWRLKENRQNSFKF-INIZCTEOSA-N 0 3 286.400 3.869 20 30 CHEDHN CC1(C)CCCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000094325682 265234793 /nfs/dbraw/zinc/23/47/93/265234793.db2.gz ICEDOZALBPMVSZ-HNNXBMFYSA-N 0 3 260.356 3.756 20 30 CHEDHN CSC1(CN(CCC#N)CCC(C)C)CCC1 ZINC000356188220 266066320 /nfs/dbraw/zinc/06/63/20/266066320.db2.gz DMWBXYWMTASNEL-UHFFFAOYSA-N 0 3 254.443 3.534 20 30 CHEDHN N#CCCNCC(Cc1ccccc1)Cc1ccccc1 ZINC000356395682 266107941 /nfs/dbraw/zinc/10/79/41/266107941.db2.gz NKZZHAVVRFRUGK-UHFFFAOYSA-N 0 3 278.399 3.591 20 30 CHEDHN C=CCN[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000358826356 266497356 /nfs/dbraw/zinc/49/73/56/266497356.db2.gz PHGMAYCCFVTLMS-LLVKDONJSA-N 0 3 258.390 3.955 20 30 CHEDHN C=CC[C@@H](CO)CN[C@@H](CC)c1cccc(Cl)c1F ZINC000359416899 266580740 /nfs/dbraw/zinc/58/07/40/266580740.db2.gz JDKKGUFAIHXSGQ-RISCZKNCSA-N 0 3 285.790 3.704 20 30 CHEDHN C[C@H](NC[C@@H]1OCCc2ccccc21)c1cccc(C#N)c1 ZINC000367748738 267114436 /nfs/dbraw/zinc/11/44/36/267114436.db2.gz JUNUTDZXXCHNOO-LIRRHRJNSA-N 0 3 292.382 3.523 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000367973853 267131754 /nfs/dbraw/zinc/13/17/54/267131754.db2.gz QRYMPKJZYPPULQ-GUYCJALGSA-N 0 3 284.403 3.598 20 30 CHEDHN Cc1nc2c(s1)[C@H](N[C@H]1CCC[C@@H](C#N)C1)CCC2 ZINC000368631627 267192708 /nfs/dbraw/zinc/19/27/08/267192708.db2.gz JYEONBGPRSDGEQ-MBNYWOFBSA-N 0 3 275.421 3.501 20 30 CHEDHN N#CCC1(CNCc2cccc(-c3cccnc3)c2)CC1 ZINC000370517954 267326359 /nfs/dbraw/zinc/32/63/59/267326359.db2.gz IUJZBHTZIXQPAQ-UHFFFAOYSA-N 0 3 277.371 3.532 20 30 CHEDHN N#CC1(CNC2CCC(c3ccc(O)cc3)CC2)CCC1 ZINC000418139685 267361822 /nfs/dbraw/zinc/36/18/22/267361822.db2.gz IHNDHEYZDWCKSO-UHFFFAOYSA-N 0 3 284.403 3.702 20 30 CHEDHN Cc1cccnc1[C@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418144855 267366291 /nfs/dbraw/zinc/36/62/91/267366291.db2.gz VFJUIBPZTBLKHX-JKSUJKDBSA-N 0 3 283.419 3.700 20 30 CHEDHN CC(C)[C@@H](CNCC1(C#N)CCC1)c1ccccc1 ZINC000418135994 267368164 /nfs/dbraw/zinc/36/81/64/267368164.db2.gz BPLDVIYVWCBXIV-MRXNPFEDSA-N 0 3 256.393 3.710 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000377075870 268045379 /nfs/dbraw/zinc/04/53/79/268045379.db2.gz DBQBFWIBAORNJK-KXBFYZLASA-N 0 3 291.398 3.921 20 30 CHEDHN Cc1ccc(C)c(OC2CCN([C@H](C)CCC#N)CC2)c1 ZINC000351650560 533689459 /nfs/dbraw/zinc/68/94/59/533689459.db2.gz XDEVZXYLVXLQFM-MRXNPFEDSA-N 0 3 286.419 3.839 20 30 CHEDHN C=C(C)CCNCc1ccc(OC)cc1Br ZINC000386747788 336177942 /nfs/dbraw/zinc/17/79/42/336177942.db2.gz FTHNFLCEHCSGBN-UHFFFAOYSA-N 0 3 284.197 3.514 20 30 CHEDHN CC(C)CC[C@H](NC[C@@H](C#N)CCC#N)C(C)(C)C ZINC000562994810 327739448 /nfs/dbraw/zinc/73/94/48/327739448.db2.gz ZTBRYSXXWFEVCW-CABCVRRESA-N 0 3 263.429 3.870 20 30 CHEDHN C=CCCOCCN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000540151713 327766039 /nfs/dbraw/zinc/76/60/39/327766039.db2.gz SWPKALNQIKSFHJ-ZBFHGGJFSA-N 0 3 259.393 3.726 20 30 CHEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1Cl ZINC000185863808 327848387 /nfs/dbraw/zinc/84/83/87/327848387.db2.gz AYEJLLWRJVHFQI-YPMHNXCESA-N 0 3 278.783 3.521 20 30 CHEDHN CC1(C#N)CCN(CC/C=C\c2ccccc2)CC1 ZINC000323478598 327900907 /nfs/dbraw/zinc/90/09/07/327900907.db2.gz YPFOOSFWSXNPRX-UITAMQMPSA-N 0 3 254.377 3.716 20 30 CHEDHN C=CC[C@H](C)N[C@H](C)c1cc(Br)ncc1F ZINC000273902235 327935155 /nfs/dbraw/zinc/93/51/55/327935155.db2.gz WAPTZJSFYFJCTE-DTWKUNHWSA-N 0 3 287.176 3.598 20 30 CHEDHN C=C(CC)CN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000563641287 328079573 /nfs/dbraw/zinc/07/95/73/328079573.db2.gz GQBWCFXMVRPCHL-CQSZACIVSA-N 0 3 287.325 3.949 20 30 CHEDHN CC(C)(C#N)CCCCN1CCc2ccsc2C1 ZINC000277755936 328222566 /nfs/dbraw/zinc/22/25/66/328222566.db2.gz PXZZDSQINMVCPJ-UHFFFAOYSA-N 0 3 262.422 3.826 20 30 CHEDHN C[C@H]1C[C@H]1c1ccc(CNCC2CCC(C#N)CC2)o1 ZINC000282410540 328242286 /nfs/dbraw/zinc/24/22/86/328242286.db2.gz QFOWDRDXGSKLGS-WLIAPVHPSA-N 0 3 272.392 3.823 20 30 CHEDHN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)CCCC#N ZINC000287341974 328251093 /nfs/dbraw/zinc/25/10/93/328251093.db2.gz LAHXEYFAHUQRTR-LBPRGKRZSA-N 0 3 284.325 3.872 20 30 CHEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1ccoc1)C(C)C ZINC000531940643 328325093 /nfs/dbraw/zinc/32/50/93/328325093.db2.gz CRKUIZHHKNYMDR-NVXWUHKLSA-N 0 3 276.424 3.629 20 30 CHEDHN CCCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000535072417 328383966 /nfs/dbraw/zinc/38/39/66/328383966.db2.gz DBIBCDGDKIQIMY-UHFFFAOYSA-N 0 3 294.398 3.979 20 30 CHEDHN CC(C)(CNCc1cc(C#N)cs1)Oc1ccccc1 ZINC000530640582 326883603 /nfs/dbraw/zinc/88/36/03/326883603.db2.gz WBSJVJZGOXLLMO-UHFFFAOYSA-N 0 3 286.400 3.567 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000558116994 327074607 /nfs/dbraw/zinc/07/46/07/327074607.db2.gz LYQSFUAQYDTWBM-NSHDSACASA-N 0 3 276.346 3.837 20 30 CHEDHN CC(C)(C#N)CCN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000558116448 327074620 /nfs/dbraw/zinc/07/46/20/327074620.db2.gz ISQIKJLFYDFYGK-LSDHHAIUSA-N 0 3 292.810 3.699 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1C[C@@H]1C(F)F ZINC000558257450 327083536 /nfs/dbraw/zinc/08/35/36/327083536.db2.gz FLYGHIIBZDCBEL-ZNMIVQPWSA-N 0 3 276.330 3.569 20 30 CHEDHN COc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000090339735 327094324 /nfs/dbraw/zinc/09/43/24/327094324.db2.gz PUXZUOUMTHLLAY-KBPBESRZSA-N 0 3 280.371 3.979 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000558579819 327107549 /nfs/dbraw/zinc/10/75/49/327107549.db2.gz ZVVNIQFBFKMCGZ-AMIZOPFISA-N 0 3 297.185 3.720 20 30 CHEDHN C=CCCCCCNCc1cccc(OC)c1OC ZINC000584242526 327126012 /nfs/dbraw/zinc/12/60/12/327126012.db2.gz WYCTZVAKOBQWKA-UHFFFAOYSA-N 0 3 263.381 3.540 20 30 CHEDHN C=CCOc1ccc(CN2CCC(OC(C)C)CC2)cc1 ZINC000569516185 327188403 /nfs/dbraw/zinc/18/84/03/327188403.db2.gz BFENRZHHYHXNRB-UHFFFAOYSA-N 0 3 289.419 3.641 20 30 CHEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000092224285 327190514 /nfs/dbraw/zinc/19/05/14/327190514.db2.gz RRPRKHGVWJOZGS-QGZVFWFLSA-N 0 3 295.386 3.545 20 30 CHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000042373860 327237530 /nfs/dbraw/zinc/23/75/30/327237530.db2.gz FEPVLBIXXYFELB-IUODEOHRSA-N 0 3 260.356 3.708 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NC/C=C\c1ccccc1)CC2 ZINC000564497205 327336410 /nfs/dbraw/zinc/33/64/10/327336410.db2.gz NPPATYMSBAZAMJ-OCTSTCLRSA-N 0 3 274.367 3.849 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC000355095754 327376825 /nfs/dbraw/zinc/37/68/25/327376825.db2.gz BVDKZBOOEHHVCR-SWLSCSKDSA-N 0 3 260.768 3.586 20 30 CHEDHN CC[C@H](CC#N)NCCCc1ccccc1Cl ZINC000569707040 327538652 /nfs/dbraw/zinc/53/86/52/327538652.db2.gz XDFHPQOEZJSZOP-CYBMUJFWSA-N 0 3 250.773 3.554 20 30 CHEDHN C=CCN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000159871271 327572104 /nfs/dbraw/zinc/57/21/04/327572104.db2.gz HBHIQDNHJVHSEG-NSHDSACASA-N 0 3 288.416 3.964 20 30 CHEDHN CCc1ccc(C(C)(C)CNCc2nc(C#N)cs2)cc1 ZINC000582174282 328607814 /nfs/dbraw/zinc/60/78/14/328607814.db2.gz FRJQRIIGBSFLCK-UHFFFAOYSA-N 0 3 299.443 3.645 20 30 CHEDHN Cc1ccc(C)c(CNCc2ccc(CC#N)cc2)c1 ZINC000520229272 328717076 /nfs/dbraw/zinc/71/70/76/328717076.db2.gz HZGKPSUYCJPPSF-UHFFFAOYSA-N 0 3 264.372 3.659 20 30 CHEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1cccnc1 ZINC000171246195 329073343 /nfs/dbraw/zinc/07/33/43/329073343.db2.gz PGPJMVNNQKVQJO-OAHLLOKOSA-N 0 3 295.386 3.615 20 30 CHEDHN C[C@@H]1C[C@H](C)N(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000582578170 329110113 /nfs/dbraw/zinc/11/01/13/329110113.db2.gz RNPVWBFDNAALQG-MNOVXSKESA-N 0 3 282.309 3.807 20 30 CHEDHN Cc1ccc(CCN(CCCC#N)Cc2ccco2)cc1 ZINC000174043068 329153917 /nfs/dbraw/zinc/15/39/17/329153917.db2.gz GMXOIAONGKFCHC-UHFFFAOYSA-N 0 3 282.387 3.937 20 30 CHEDHN C=CCN1CCC(N[C@@H](CC)c2cc(F)ccc2F)CC1 ZINC000177907172 329189983 /nfs/dbraw/zinc/18/99/83/329189983.db2.gz XURCPIANQKQIAB-KRWDZBQOSA-N 0 3 294.389 3.656 20 30 CHEDHN C=CCSCCN[C@H]1CCSc2ccc(F)cc21 ZINC000180459387 329217480 /nfs/dbraw/zinc/21/74/80/329217480.db2.gz UZBFEFGRGDUHQX-ZDUSSCGKSA-N 0 3 283.437 3.871 20 30 CHEDHN Cc1scc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000180731713 329222749 /nfs/dbraw/zinc/22/27/49/329222749.db2.gz PCWAUZLSKVIXFG-LLVKDONJSA-N 0 3 295.367 3.731 20 30 CHEDHN CC(C)n1cc([C@@H](C)NCCC2(C#N)CCCCC2)cn1 ZINC000582891373 329281824 /nfs/dbraw/zinc/28/18/24/329281824.db2.gz LNQAOYMXXDPVQN-OAHLLOKOSA-N 0 3 288.439 3.979 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000583185639 329351426 /nfs/dbraw/zinc/35/14/26/329351426.db2.gz GQIAEAVDNGZORD-KMUNFCNLSA-N 0 3 283.774 3.863 20 30 CHEDHN C=CCSCCNCc1ccccc1C(F)(F)F ZINC000105462557 329535420 /nfs/dbraw/zinc/53/54/20/329535420.db2.gz MKAUJXKIRROAGF-UHFFFAOYSA-N 0 3 275.339 3.714 20 30 CHEDHN C=C[C@H](C)N[C@@H]1CCCc2ccc(Br)cc21 ZINC000128833512 329612228 /nfs/dbraw/zinc/61/22/28/329612228.db2.gz QTASPUCRSMRLJQ-IINYFYTJSA-N 0 3 280.209 3.991 20 30 CHEDHN N#CCCCN1CCC(CCc2ccccc2)CC1 ZINC000054148506 329668979 /nfs/dbraw/zinc/66/89/79/329668979.db2.gz DUCMQYXCXQKEQL-UHFFFAOYSA-N 0 3 256.393 3.635 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CC(F)F)c2ccccc2)C1 ZINC000421378541 329817223 /nfs/dbraw/zinc/81/72/23/329817223.db2.gz VKGZMCMDTNIVJX-BNOWGMLFSA-N 0 3 264.319 3.665 20 30 CHEDHN COc1cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)ccc1SC ZINC000429684294 330058270 /nfs/dbraw/zinc/05/82/70/330058270.db2.gz JYOGMMOXXJIYKW-TZMCWYRMSA-N 0 3 290.432 3.541 20 30 CHEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000270350987 330073177 /nfs/dbraw/zinc/07/31/77/330073177.db2.gz PUYWPUKTAIORRL-UONOGXRCSA-N 0 3 296.480 3.895 20 30 CHEDHN C#CC[C@H](NCc1ccc(C)s1)c1ccccc1 ZINC000270195129 330073747 /nfs/dbraw/zinc/07/37/47/330073747.db2.gz LNCHSFVYRBEOMH-INIZCTEOSA-N 0 3 255.386 3.911 20 30 CHEDHN C=CCN(Cc1ccc(SC)c(OC)c1)C1CC1 ZINC000271545661 330081493 /nfs/dbraw/zinc/08/14/93/330081493.db2.gz ZLPYFWIXGPRLBF-UHFFFAOYSA-N 0 3 263.406 3.568 20 30 CHEDHN C=CCC[C@@H](NCc1ccc(CO)cc1)c1ccccc1 ZINC000272519418 330086964 /nfs/dbraw/zinc/08/69/64/330086964.db2.gz PSZSQRFTOHPEJI-LJQANCHMSA-N 0 3 281.399 3.976 20 30 CHEDHN C=C(Cl)CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000272929109 330087421 /nfs/dbraw/zinc/08/74/21/330087421.db2.gz SFKFIHMVTCMUSC-UHFFFAOYSA-N 0 3 299.245 3.647 20 30 CHEDHN COc1cc(Cl)ccc1[C@@H](C)NCC(C)(C)CC#N ZINC000421853393 330088234 /nfs/dbraw/zinc/08/82/34/330088234.db2.gz IZDURPZGUISLGL-LLVKDONJSA-N 0 3 280.799 3.939 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)s1)c1cccc(OC)c1 ZINC000421871892 330100415 /nfs/dbraw/zinc/10/04/15/330100415.db2.gz GICMNLVVETYHAQ-INIZCTEOSA-N 0 3 286.400 3.869 20 30 CHEDHN C=C(C)CCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000274776084 330107454 /nfs/dbraw/zinc/10/74/54/330107454.db2.gz OAMGEDOKLVWWFA-UHFFFAOYSA-N 0 3 293.357 3.826 20 30 CHEDHN C=CCCN(C)Cc1ccc(CSC(F)F)o1 ZINC000276108095 330112322 /nfs/dbraw/zinc/11/23/22/330112322.db2.gz HHNJMKCJSPWFIE-UHFFFAOYSA-N 0 3 261.337 3.743 20 30 CHEDHN C=CCC[C@@H](NC1CCN(CC=C)CC1)c1ccco1 ZINC000276383772 330113134 /nfs/dbraw/zinc/11/31/34/330113134.db2.gz AAPZSHDEBIZDOG-MRXNPFEDSA-N 0 3 274.408 3.527 20 30 CHEDHN C=C(C)CCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278922323 330121118 /nfs/dbraw/zinc/12/11/18/330121118.db2.gz RSHSOSXGCJRJAT-UHFFFAOYSA-N 0 3 275.367 3.687 20 30 CHEDHN C=CCC[C@H](NCCc1c(C)noc1C)c1ccco1 ZINC000279093456 330121474 /nfs/dbraw/zinc/12/14/74/330121474.db2.gz UNWLBAYOABUKLA-HNNXBMFYSA-N 0 3 274.364 3.724 20 30 CHEDHN C=CCC[C@@H](NC[C@H](N)c1ccccc1)c1ccco1 ZINC000423250075 330182538 /nfs/dbraw/zinc/18/25/38/330182538.db2.gz UMPWQXXFQZJRNL-JKSUJKDBSA-N 0 3 270.376 3.577 20 30 CHEDHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1Cl ZINC000399742109 330246275 /nfs/dbraw/zinc/24/62/75/330246275.db2.gz JHTAMDPOSGSWBH-BXUZGUMPSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)F)cc1 ZINC000424121380 330251885 /nfs/dbraw/zinc/25/18/85/330251885.db2.gz HZZRQXAAHRWNIG-NTZNESFSSA-N 0 3 280.318 3.631 20 30 CHEDHN C=C(C)CN1CCC(Nc2nccc3ccccc32)CC1 ZINC000527884931 330291748 /nfs/dbraw/zinc/29/17/48/330291748.db2.gz ZYDLCUAGPUOYGM-UHFFFAOYSA-N 0 3 281.403 3.687 20 30 CHEDHN CC#CCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000533070261 330326675 /nfs/dbraw/zinc/32/66/75/330326675.db2.gz PSNBTZAQYMCZDO-MRXNPFEDSA-N 0 3 295.430 3.820 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(F)cc1Cl ZINC000424296453 330336064 /nfs/dbraw/zinc/33/60/64/330336064.db2.gz OOUMAIAJBIQFNX-PGUXBMHVSA-N 0 3 283.774 3.721 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(OC)cc1Cl ZINC000424298343 330336536 /nfs/dbraw/zinc/33/65/36/330336536.db2.gz IPBCGMSKVKOHRE-GFCCVEGCSA-N 0 3 283.799 3.592 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2ccccc2n1 ZINC000424315548 330339275 /nfs/dbraw/zinc/33/92/75/330339275.db2.gz AEFZJDDQQOKNKN-KCQAQPDRSA-N 0 3 265.360 3.578 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000424316207 330339430 /nfs/dbraw/zinc/33/94/30/330339430.db2.gz ATIPUEOMVCDWMW-NJZAAPMLSA-N 0 3 290.794 3.836 20 30 CHEDHN COc1cccc2cc([C@@H](C)N[C@@H]3CC[C@H](C#N)C3)oc21 ZINC000424319056 330339840 /nfs/dbraw/zinc/33/98/40/330339840.db2.gz DJJRXBVLTFKZPU-MBNYWOFBSA-N 0 3 284.359 3.784 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cnc2ccsc2c1 ZINC000424328843 330341841 /nfs/dbraw/zinc/34/18/41/330341841.db2.gz OWQAPSTYTXPWAG-NTZNESFSSA-N 0 3 271.389 3.639 20 30 CHEDHN C=CCOc1ccc(CN(C)Cc2ccccc2)cc1 ZINC000533253734 330354717 /nfs/dbraw/zinc/35/47/17/330354717.db2.gz UTOCYWOPACDENE-UHFFFAOYSA-N 0 3 267.372 3.883 20 30 CHEDHN CN(CC#Cc1cccc(Cl)c1)C1Cc2ccccc2C1 ZINC000533322823 330357482 /nfs/dbraw/zinc/35/74/82/330357482.db2.gz LIERWCDWIXEHKZ-UHFFFAOYSA-N 0 3 295.813 3.791 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000119317565 330372853 /nfs/dbraw/zinc/37/28/53/330372853.db2.gz LGRRFZFQVJXKOX-RKDXNWHRSA-N 0 3 272.161 3.813 20 30 CHEDHN C=CCCOCCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000090883729 330396560 /nfs/dbraw/zinc/39/65/60/330396560.db2.gz ZWRGMRPFQDQKMC-HNNXBMFYSA-N 0 3 295.810 3.736 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCCc3sccc32)c1 ZINC000093688004 330424371 /nfs/dbraw/zinc/42/43/71/330424371.db2.gz MVZCUYWLXSVLFD-ZDUSSCGKSA-N 0 3 274.414 3.848 20 30 CHEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000537305668 330432044 /nfs/dbraw/zinc/43/20/44/330432044.db2.gz FGXKUKPBCFQGEC-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN C=C[C@H](C)N[C@@H]1CCc2c1cc(Br)cc2F ZINC000122954954 330434287 /nfs/dbraw/zinc/43/42/87/330434287.db2.gz CHENXHSVVXKTCP-ISVAXAHUSA-N 0 3 284.172 3.740 20 30 CHEDHN CC[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000085065481 330488298 /nfs/dbraw/zinc/48/82/98/330488298.db2.gz URPFIVZNXCLNFU-IUODEOHRSA-N 0 3 260.356 3.756 20 30 CHEDHN N#CCC1(CN[C@@H]2CCCCc3ccccc32)CC1 ZINC000429782468 330554802 /nfs/dbraw/zinc/55/48/02/330554802.db2.gz IPSOBKWVRLAVEY-MRXNPFEDSA-N 0 3 254.377 3.738 20 30 CHEDHN C[C@@H](NC[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000430749891 330572821 /nfs/dbraw/zinc/57/28/21/330572821.db2.gz LVVAECSDVSOSAG-ZYHUDNBSSA-N 0 3 282.309 3.783 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCC1(CC#N)CC1)CCC2 ZINC000430750040 330572823 /nfs/dbraw/zinc/57/28/23/330572823.db2.gz ARJWJSLYRABUAO-MRXNPFEDSA-N 0 3 254.377 3.656 20 30 CHEDHN Cc1cc(NCC2CCC(C#N)CC2)c2ccccc2n1 ZINC000440638767 330753280 /nfs/dbraw/zinc/75/32/80/330753280.db2.gz QSUPBXZYUQHYJM-UHFFFAOYSA-N 0 3 279.387 3.707 20 30 CHEDHN CC[C@H](NCCC(F)(F)F)c1ccc(C#N)cc1 ZINC000447587860 330871947 /nfs/dbraw/zinc/87/19/47/330871947.db2.gz SEERMKWESRSZSS-LBPRGKRZSA-N 0 3 256.271 3.551 20 30 CHEDHN C=CCC1(NCc2ncc(CN(C)C)s2)CCCCC1 ZINC000449576649 330938298 /nfs/dbraw/zinc/93/82/98/330938298.db2.gz UQTBHTNNJAQPCA-UHFFFAOYSA-N 0 3 293.480 3.573 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000450823398 331001234 /nfs/dbraw/zinc/00/12/34/331001234.db2.gz UPBOSYNKWSKCLI-DLBZAZTESA-N 0 3 268.404 3.681 20 30 CHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCC(F)(F)C1 ZINC000450983234 331010004 /nfs/dbraw/zinc/01/00/04/331010004.db2.gz PCZUSXYVQLPMRX-ZDUSSCGKSA-N 0 3 299.361 3.585 20 30 CHEDHN CC(C(=O)Nc1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000452650353 331071155 /nfs/dbraw/zinc/07/11/55/331071155.db2.gz YNMKIMQJIOJRRA-ZETCQYMHSA-N 0 3 290.672 3.543 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1ccc(F)cc1F ZINC000453340641 331119014 /nfs/dbraw/zinc/11/90/14/331119014.db2.gz HVZLPYOUVACNKW-XHSDSOJGSA-N 0 3 281.346 3.739 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1oc2ccccc2c1C ZINC000453343364 331119569 /nfs/dbraw/zinc/11/95/69/331119569.db2.gz FATLCAZYJQPCKA-CFVMTHIKSA-N 0 3 271.360 3.735 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000453366420 331123257 /nfs/dbraw/zinc/12/32/57/331123257.db2.gz RAISZNSAQQNTON-CFVMTHIKSA-N 0 3 271.360 3.735 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1OC(F)F ZINC000453374905 331124644 /nfs/dbraw/zinc/12/46/44/331124644.db2.gz XDAINTHZDNBZQU-BNOWGMLFSA-N 0 3 297.345 3.672 20 30 CHEDHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000453376464 331124969 /nfs/dbraw/zinc/12/49/69/331124969.db2.gz IHOJBAMICIUHSM-FZKQIMNGSA-N 0 3 298.361 3.563 20 30 CHEDHN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000453377597 331125286 /nfs/dbraw/zinc/12/52/86/331125286.db2.gz IYBIZDOCIDEQCJ-ADLMAVQZSA-N 0 3 298.336 3.860 20 30 CHEDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000453426253 331130947 /nfs/dbraw/zinc/13/09/47/331130947.db2.gz YXFIUSSOGLTMJL-JCURWCKSSA-N 0 3 290.382 3.696 20 30 CHEDHN C=CCC[C@@H](NCCc1ccc(C)cn1)c1ccco1 ZINC000453441075 331131937 /nfs/dbraw/zinc/13/19/37/331131937.db2.gz WZLXIGBGNZCUML-MRXNPFEDSA-N 0 3 270.376 3.823 20 30 CHEDHN C=CC[C@@H](C)NCc1sc(C)cc1Br ZINC000453587009 331135111 /nfs/dbraw/zinc/13/51/11/331135111.db2.gz KHDFAFZDZNJLOK-MRVPVSSYSA-N 0 3 274.227 3.873 20 30 CHEDHN C=CCSCCNCc1ccc(Br)s1 ZINC000163894287 331138246 /nfs/dbraw/zinc/13/82/46/331138246.db2.gz QPRGRMBPTMHNFW-UHFFFAOYSA-N 0 3 292.267 3.519 20 30 CHEDHN CC(C)(CC#N)CNCc1cnc(-c2ccsc2)s1 ZINC000459728825 331296207 /nfs/dbraw/zinc/29/62/07/331296207.db2.gz IZVVFZDXOFREBJ-UHFFFAOYSA-N 0 3 291.445 3.901 20 30 CHEDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(C)(C)CC#N ZINC000459728864 331296211 /nfs/dbraw/zinc/29/62/11/331296211.db2.gz JLXAOGZPKXNNFX-UKTHLTGXSA-N 0 3 287.363 3.528 20 30 CHEDHN C=CC[C@@H](C)N[C@H](c1ccccc1)c1ccccn1 ZINC000166146699 331306560 /nfs/dbraw/zinc/30/65/60/331306560.db2.gz CTIJKBUCCSEUID-RHSMWYFYSA-N 0 3 252.361 3.725 20 30 CHEDHN C=CC[C@H](C)N[C@H](c1ccccc1)c1ccccn1 ZINC000166146625 331306647 /nfs/dbraw/zinc/30/66/47/331306647.db2.gz CTIJKBUCCSEUID-WMLDXEAASA-N 0 3 252.361 3.725 20 30 CHEDHN C=CCN(CCc1ccc(C)cc1)Cc1ccco1 ZINC000461750265 331314445 /nfs/dbraw/zinc/31/44/45/331314445.db2.gz ZKWBOUIBCLCZCE-UHFFFAOYSA-N 0 3 255.361 3.819 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000464650842 331364209 /nfs/dbraw/zinc/36/42/09/331364209.db2.gz BERUPRWQITWHBL-MRXNPFEDSA-N 0 3 294.483 3.559 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000465014220 331375894 /nfs/dbraw/zinc/37/58/94/331375894.db2.gz KNHDXXJQPNVLEF-SJLPKXTDSA-N 0 3 289.419 3.545 20 30 CHEDHN CCC[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000466489338 331398397 /nfs/dbraw/zinc/39/83/97/331398397.db2.gz BYQNHWXAFCRWRX-ZDUSSCGKSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCOCCCN[C@H](C)c1c(F)cccc1Cl ZINC000470762446 331489325 /nfs/dbraw/zinc/48/93/25/331489325.db2.gz TVSFGWKMKFEOKH-LLVKDONJSA-N 0 3 271.763 3.722 20 30 CHEDHN C=CCOCCCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000470779238 331490853 /nfs/dbraw/zinc/49/08/53/331490853.db2.gz LRZPWVHXGQBNJN-LBPRGKRZSA-N 0 3 282.453 3.684 20 30 CHEDHN C=CCOc1ccc(CNC[C@@H](C)C(F)(F)F)cc1 ZINC000479607620 331740370 /nfs/dbraw/zinc/74/03/70/331740370.db2.gz UQQMTGBULFRUPZ-LLVKDONJSA-N 0 3 273.298 3.539 20 30 CHEDHN CCCN(CCC)Cc1ccc(Cl)cc1C#N ZINC000480497497 331774401 /nfs/dbraw/zinc/77/44/01/331774401.db2.gz UQPFZUYECAOHII-UHFFFAOYSA-N 0 3 250.773 3.834 20 30 CHEDHN C[C@@H]1CCC[C@@H](NCc2ccc(F)cc2C#N)[C@@H]1C ZINC000481181465 331799430 /nfs/dbraw/zinc/79/94/30/331799430.db2.gz WDYZAQXLNIMFDF-XHBSWPGZSA-N 0 3 260.356 3.612 20 30 CHEDHN Cc1cc(CN2CCCC[C@H]2c2cccn2C)ccc1C#N ZINC000488466402 332011755 /nfs/dbraw/zinc/01/17/55/332011755.db2.gz QBNLVKLRPZSYDJ-IBGZPJMESA-N 0 3 293.414 3.932 20 30 CHEDHN C=CCCCCCN1CCC(Oc2ncccc2F)CC1 ZINC000489018244 332037997 /nfs/dbraw/zinc/03/79/97/332037997.db2.gz RCRNICGRVRRUQG-UHFFFAOYSA-N 0 3 292.398 3.810 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cccc2cccnc21 ZINC000489400125 332050093 /nfs/dbraw/zinc/05/00/93/332050093.db2.gz JIBLXMWMGFFFJY-INIZCTEOSA-N 0 3 252.361 3.775 20 30 CHEDHN C#C[C@@H](N[C@@H](C)CCC(F)(F)F)c1ccc(F)cc1 ZINC000491663396 332272401 /nfs/dbraw/zinc/27/24/01/332272401.db2.gz MSLQCZNVEUDQHT-GXFFZTMASA-N 0 3 273.273 3.821 20 30 CHEDHN C#C[C@H](N[C@@H](C)CCC(F)(F)F)c1ccc(F)cc1 ZINC000491663395 332272512 /nfs/dbraw/zinc/27/25/12/332272512.db2.gz MSLQCZNVEUDQHT-GWCFXTLKSA-N 0 3 273.273 3.821 20 30 CHEDHN C=C(C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512365493 332964915 /nfs/dbraw/zinc/96/49/15/332964915.db2.gz ZJPNXEKSYNNMSD-UHFFFAOYSA-N 0 3 288.372 3.989 20 30 CHEDHN C=CCN(CCSC(C)C)Cc1ccc(OC)cc1 ZINC000513896459 333048085 /nfs/dbraw/zinc/04/80/85/333048085.db2.gz YJECXLUUDDKMGH-UHFFFAOYSA-N 0 3 279.449 3.825 20 30 CHEDHN COc1ccccc1/C=C\CN1CCC(CCC#N)CC1 ZINC000517148087 333093349 /nfs/dbraw/zinc/09/33/49/333093349.db2.gz BDFJCRBDDZZVEN-YVMONPNESA-N 0 3 284.403 3.724 20 30 CHEDHN C=CCOc1cccc(CNCCOc2ccccc2C)c1 ZINC000517536452 333101461 /nfs/dbraw/zinc/10/14/61/333101461.db2.gz LBOVXLNLLAOYJC-UHFFFAOYSA-N 0 3 297.398 3.728 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(OC3CCCCC3)c2)C1 ZINC000521531465 333177136 /nfs/dbraw/zinc/17/71/36/333177136.db2.gz KAWVYBLUADGSHL-ZBFHGGJFSA-N 0 3 299.418 3.575 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)cc1 ZINC000189348660 333190858 /nfs/dbraw/zinc/19/08/58/333190858.db2.gz VDWXAAMFZZEVIU-ZDUSSCGKSA-N 0 3 268.335 3.890 20 30 CHEDHN CC(C)CC[C@@H]1CCC[C@@H]1NC[C@H](C#N)CCC#N ZINC000191877451 333226735 /nfs/dbraw/zinc/22/67/35/333226735.db2.gz TTXJMFFZCNYEJV-JYJNAYRXSA-N 0 3 261.413 3.624 20 30 CHEDHN Cc1cc(C)c(CN2CCC(C)(C#N)CC2)c(C)c1 ZINC000227352735 333281362 /nfs/dbraw/zinc/28/13/62/333281362.db2.gz LSAJXHJRKKSDHA-UHFFFAOYSA-N 0 3 256.393 3.738 20 30 CHEDHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccccc1C#N ZINC000522468425 333287724 /nfs/dbraw/zinc/28/77/24/333287724.db2.gz CKQKQAYNAVXWNU-KXBFYZLASA-N 0 3 276.383 3.936 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000229274306 333302976 /nfs/dbraw/zinc/30/29/76/333302976.db2.gz QXMYEFDFZYLGIU-QGZVFWFLSA-N 0 3 284.403 3.530 20 30 CHEDHN CC(C#N)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000522995842 333303942 /nfs/dbraw/zinc/30/39/42/333303942.db2.gz MTTNXVVIRYRVNB-HNNXBMFYSA-N 0 3 284.403 3.554 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000522995751 333303950 /nfs/dbraw/zinc/30/39/50/333303950.db2.gz GIDXAKXEBSOTEO-KGLIPLIRSA-N 0 3 294.354 3.816 20 30 CHEDHN C[C@H](NCC(C)(C)CCC#N)c1ccc(F)cc1F ZINC000229676347 333307555 /nfs/dbraw/zinc/30/75/55/333307555.db2.gz KMQVRERJIIRDPT-NSHDSACASA-N 0 3 266.335 3.945 20 30 CHEDHN CC(C)(C#N)CCCCN1CCN(c2ccccc2)CC1 ZINC000232531205 333338315 /nfs/dbraw/zinc/33/83/15/333338315.db2.gz GKMFXEYSANYJRI-UHFFFAOYSA-N 0 3 285.435 3.529 20 30 CHEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233924243 333356332 /nfs/dbraw/zinc/35/63/32/333356332.db2.gz HAOYTLYOKNVBPO-CQSZACIVSA-N 0 3 272.392 3.579 20 30 CHEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cccc(C#N)c2F)C1 ZINC000235345290 333368235 /nfs/dbraw/zinc/36/82/35/333368235.db2.gz AXWLKOSMMLKYDD-FRRDWIJNSA-N 0 3 260.356 3.564 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(C#N)cc1F ZINC000524757310 333387198 /nfs/dbraw/zinc/38/71/98/333387198.db2.gz JSZJAAJQMZHZIO-SUYBPPKGSA-N 0 3 272.367 3.850 20 30 CHEDHN CC(C)[C@H](Cc1ccc(F)cc1)NCc1ccc(C#N)o1 ZINC000173859720 335142218 /nfs/dbraw/zinc/14/22/18/335142218.db2.gz MHZGENNZFXXQAW-KRWDZBQOSA-N 0 3 286.350 3.647 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000529544257 333495904 /nfs/dbraw/zinc/49/59/04/333495904.db2.gz XASRIMNOVMYNBN-OIISXLGYSA-N 0 3 256.393 3.852 20 30 CHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1ccccc1 ZINC000174093899 335148042 /nfs/dbraw/zinc/14/80/42/335148042.db2.gz YLATWJLYFULULT-CABCVRRESA-N 0 3 280.371 3.676 20 30 CHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000174264648 335151743 /nfs/dbraw/zinc/15/17/43/335151743.db2.gz SRPZUDPBDGMTBT-ZIAGYGMSSA-N 0 3 298.361 3.815 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000174415799 335154101 /nfs/dbraw/zinc/15/41/01/335154101.db2.gz NIKMJEUHXHAULX-QAPCUYQASA-N 0 3 280.371 3.652 20 30 CHEDHN C=CCCC[C@H](C)N1CCN(c2ncc(CC)s2)CC1 ZINC000540349519 333726555 /nfs/dbraw/zinc/72/65/55/333726555.db2.gz WQNDRQJEBDKREM-AWEZNQCLSA-N 0 3 293.480 3.572 20 30 CHEDHN C[C@H](COc1cccc(F)c1)N[C@H](C)c1ccc(C#N)cc1 ZINC000540597965 333737081 /nfs/dbraw/zinc/73/70/81/333737081.db2.gz YIDHBVDWUNOJKT-ZIAGYGMSSA-N 0 3 298.361 3.815 20 30 CHEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccc(CC)cc2)o1 ZINC000545960868 334009387 /nfs/dbraw/zinc/00/93/87/334009387.db2.gz QDXSEXCLEAXWJB-INIZCTEOSA-N 0 3 285.387 3.536 20 30 CHEDHN CC[C@@H](CNCc1cccc(C#N)c1)Oc1cccc(C)c1 ZINC000236990413 334078912 /nfs/dbraw/zinc/07/89/12/334078912.db2.gz RJDQGYOTXMCCAA-SFHVURJKSA-N 0 3 294.398 3.814 20 30 CHEDHN CC[C@@H]1CCCCCN1Cc1ccc(C#N)cc1F ZINC000134725276 334101912 /nfs/dbraw/zinc/10/19/12/334101912.db2.gz MDHSGOJLEYICOL-OAHLLOKOSA-N 0 3 260.356 3.852 20 30 CHEDHN N#Cc1ccc(CNC2CCC(c3ccccc3)CC2)o1 ZINC000135139938 334117493 /nfs/dbraw/zinc/11/74/93/334117493.db2.gz RZKOBKKZPZESEW-UHFFFAOYSA-N 0 3 280.371 3.967 20 30 CHEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc2ncsc2c1 ZINC000547947681 334130657 /nfs/dbraw/zinc/13/06/57/334130657.db2.gz NBXVDJZXFWCOBL-LLVKDONJSA-N 0 3 273.405 3.887 20 30 CHEDHN C[C@@H](C#N)CN[C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000549378229 334191906 /nfs/dbraw/zinc/19/19/06/334191906.db2.gz NZLMAQYCGVSNML-RYUDHWBXSA-N 0 3 284.325 3.776 20 30 CHEDHN C=CCOCCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000550077891 334212502 /nfs/dbraw/zinc/21/25/02/334212502.db2.gz INWXPMJYGGXTGI-OAHLLOKOSA-N 0 3 299.336 3.949 20 30 CHEDHN C=CCOCCN1CCC(c2ccc(F)cc2C)CC1 ZINC000550105318 334213291 /nfs/dbraw/zinc/21/32/91/334213291.db2.gz XTBQYBFLEBFKGH-UHFFFAOYSA-N 0 3 277.383 3.516 20 30 CHEDHN CC1(C)CN(CC#Cc2ccc(F)cc2)[C@@H]2CCC[C@H]21 ZINC000550433079 334222419 /nfs/dbraw/zinc/22/24/19/334222419.db2.gz DDSLQFWRMJJXTL-IAGOWNOFSA-N 0 3 271.379 3.688 20 30 CHEDHN C[C@@H]1C[C@@H]1[C@@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000245888638 334223029 /nfs/dbraw/zinc/22/30/29/334223029.db2.gz LUZCTYWFSTXKEO-UGFHNGPFSA-N 0 3 262.784 3.930 20 30 CHEDHN C=CCC[C@H](CCC)N[C@@H](c1nccn1C)C1CC1 ZINC000552087578 334287716 /nfs/dbraw/zinc/28/77/16/334287716.db2.gz LDAUWMMBTVCWRL-LSDHHAIUSA-N 0 3 261.413 3.596 20 30 CHEDHN CCN(C[C@@H]1CCC(C)(C)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000248591371 334307280 /nfs/dbraw/zinc/30/72/80/334307280.db2.gz YUOWKNAGNAXTHI-PBHICJAKSA-N 0 3 286.419 3.899 20 30 CHEDHN C=CCC[C@@H](NCC1(O)CCCCC1)c1ccco1 ZINC000552252237 334309207 /nfs/dbraw/zinc/30/92/07/334309207.db2.gz GKHGTYIGFGKRIA-CQSZACIVSA-N 0 3 263.381 3.572 20 30 CHEDHN C=CCC[C@H](NCCN1CCC[C@@H](C)C1)c1ccco1 ZINC000552254624 334309280 /nfs/dbraw/zinc/30/92/80/334309280.db2.gz NYOLELHYHALUAQ-CVEARBPZSA-N 0 3 276.424 3.608 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3c2cccc3Cl)C1 ZINC000248998802 334324420 /nfs/dbraw/zinc/32/44/20/334324420.db2.gz PWJSQSYDRLSJRB-HSMVNMDESA-N 0 3 274.795 3.999 20 30 CHEDHN N#CCC[C@@H](C#N)CNCC1(c2ccc(F)cc2)CCCC1 ZINC000554869240 334457378 /nfs/dbraw/zinc/45/73/78/334457378.db2.gz OPTADTYXOSIWMT-HNNXBMFYSA-N 0 3 299.393 3.671 20 30 CHEDHN Cc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C2 ZINC000564428570 334507942 /nfs/dbraw/zinc/50/79/42/334507942.db2.gz XXUNDNKZWJEFDM-KDOFPFPSSA-N 0 3 292.382 3.521 20 30 CHEDHN Cc1nc2c(s1)[C@H](NCc1ccc(CC#N)cc1)CCC2 ZINC000564727449 334518190 /nfs/dbraw/zinc/51/81/90/334518190.db2.gz BXWVIAGHVLBTOY-OAHLLOKOSA-N 0 3 297.427 3.685 20 30 CHEDHN CC[C@@H](CNCCC#N)Cc1cccc(Br)c1 ZINC000566555969 334655077 /nfs/dbraw/zinc/65/50/77/334655077.db2.gz CINHMXCJTKBYDW-GFCCVEGCSA-N 0 3 295.224 3.521 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000155650603 334726187 /nfs/dbraw/zinc/72/61/87/334726187.db2.gz WUJCXEFSHQXXEK-LBPRGKRZSA-N 0 3 283.799 3.592 20 30 CHEDHN C[C@@H](CC(C)(C)c1ccccc1)NCC1(C#N)CC1 ZINC000567546898 334731704 /nfs/dbraw/zinc/73/17/04/334731704.db2.gz GQOQCIAVTJAUGP-AWEZNQCLSA-N 0 3 256.393 3.636 20 30 CHEDHN Cc1ccc(C(=O)CCN2CCC(CCC#N)CC2)cc1 ZINC000567791658 334761287 /nfs/dbraw/zinc/76/12/87/334761287.db2.gz YXCYASDXJCWWKN-UHFFFAOYSA-N 0 3 284.403 3.584 20 30 CHEDHN Cc1c(Br)cccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000568239585 334807569 /nfs/dbraw/zinc/80/75/69/334807569.db2.gz PJVLWIXKNCHZHN-AAEUAGOBSA-N 0 3 293.208 3.539 20 30 CHEDHN N#CCCNC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000568739643 334838539 /nfs/dbraw/zinc/83/85/39/334838539.db2.gz RDSDTUQGBCKWKP-KRWDZBQOSA-N 0 3 289.382 3.803 20 30 CHEDHN C=CCC[C@H](NCCOC(C)(C)C)c1ccco1 ZINC000577012190 335281916 /nfs/dbraw/zinc/28/19/16/335281916.db2.gz MSBCJDWQRDFMLP-ZDUSSCGKSA-N 0 3 251.370 3.692 20 30 CHEDHN CC[C@H](CNCc1cccc(C#N)c1)Oc1ccccc1F ZINC000176990573 335352147 /nfs/dbraw/zinc/35/21/47/335352147.db2.gz IPPXPCQUCDMNGC-MRXNPFEDSA-N 0 3 298.361 3.645 20 30 CHEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(C#N)c(C)c1 ZINC000577443320 335352715 /nfs/dbraw/zinc/35/27/15/335352715.db2.gz OILMCALVWOFEFA-GOSISDBHSA-N 0 3 279.387 3.845 20 30 CHEDHN N#CCC1(CN[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000577452085 335353512 /nfs/dbraw/zinc/35/35/12/335353512.db2.gz UOLPGHSGWPHSEK-CQSZACIVSA-N 0 3 260.768 3.611 20 30 CHEDHN CCOc1cccc([C@@H](C)NCc2cc(C#N)cs2)c1 ZINC000177692773 335379521 /nfs/dbraw/zinc/37/95/21/335379521.db2.gz IOKPPFIMXAMKMU-GFCCVEGCSA-N 0 3 286.400 3.869 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCCOc2cccc(Cl)c2Cl)C1 ZINC000578287241 335595184 /nfs/dbraw/zinc/59/51/84/335595184.db2.gz RVDKCQPQXIKSGJ-MNOVXSKESA-N 0 3 299.201 3.654 20 30 CHEDHN CC(C)[C@@H](NCCCC#N)c1ccc(F)cc1F ZINC000181654872 335776780 /nfs/dbraw/zinc/77/67/80/335776780.db2.gz APWFEQISEFIGRL-CQSZACIVSA-N 0 3 252.308 3.555 20 30 CHEDHN C[C@@H](NCCCSCC#N)c1nc(C(C)(C)C)cs1 ZINC000184450231 335926065 /nfs/dbraw/zinc/92/60/65/335926065.db2.gz NHBCUDLFEQNMDM-LLVKDONJSA-N 0 3 297.493 3.738 20 30 CHEDHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1Cl ZINC000384292801 336123269 /nfs/dbraw/zinc/12/32/69/336123269.db2.gz XVQGFNMWHIBERN-IAQYHMDHSA-N 0 3 262.784 3.832 20 30 CHEDHN C=CCOc1cccc(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000581727176 336138594 /nfs/dbraw/zinc/13/85/94/336138594.db2.gz MEFXBVKCBORVIN-GOSISDBHSA-N 0 3 294.398 3.636 20 30 CHEDHN C=CCOc1cccc(CN2CC[C@H](c3cccnc3)C2)c1 ZINC000581727177 336138720 /nfs/dbraw/zinc/13/87/20/336138720.db2.gz MEFXBVKCBORVIN-SFHVURJKSA-N 0 3 294.398 3.636 20 30 CHEDHN Cc1ccc(CC[C@@H](C)NCc2ccc(C#N)cc2F)o1 ZINC000344635032 533818153 /nfs/dbraw/zinc/81/81/53/533818153.db2.gz UOULUNFEUYPSDG-GFCCVEGCSA-N 0 3 286.350 3.710 20 30 CHEDHN COc1cc(CN[C@@H]2CCc3c2cccc3C)ccc1C#N ZINC000353639700 533900178 /nfs/dbraw/zinc/90/01/78/533900178.db2.gz DRVBNDWDANJXGD-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN CC(C)CN(Cc1cn2ccccc2c1C#N)C(C)C ZINC000340902289 519718715 /nfs/dbraw/zinc/71/87/15/519718715.db2.gz PJXZWSJEZMRPLB-UHFFFAOYSA-N 0 3 269.392 3.677 20 30 CHEDHN CC(C)[C@H]1C[C@@H](NCc2cc(C#N)n(C)c2)c2ccccc21 ZINC000280247721 519827416 /nfs/dbraw/zinc/82/74/16/519827416.db2.gz YSYYNVWZZWRTHF-RTBURBONSA-N 0 3 293.414 3.871 20 30 CHEDHN Cc1ccc2nccc(N3CCC(CC#N)CC3)c2c1 ZINC000336591476 534520127 /nfs/dbraw/zinc/52/01/27/534520127.db2.gz CKZHQKTYGBDNGR-UHFFFAOYSA-N 0 3 265.360 3.673 20 30 CHEDHN COCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363717902 523960847 /nfs/dbraw/zinc/96/08/47/523960847.db2.gz HYEUHUCYELWWFV-AWEZNQCLSA-N 0 3 280.371 3.522 20 30 CHEDHN CCc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000034979754 524026616 /nfs/dbraw/zinc/02/66/16/524026616.db2.gz DMOJEWZWAOCWQK-CQSZACIVSA-N 0 3 264.372 3.971 20 30 CHEDHN COc1ccc(CN[C@H]2CCCc3sccc32)cc1C#N ZINC000087824222 524091809 /nfs/dbraw/zinc/09/18/09/524091809.db2.gz SCFOTMSZFUURMZ-HNNXBMFYSA-N 0 3 298.411 3.796 20 30 CHEDHN Cc1cc(CNCc2coc3ccccc23)ccc1C#N ZINC000339408155 524760397 /nfs/dbraw/zinc/76/03/97/524760397.db2.gz USOJPOFTEITSDB-UHFFFAOYSA-N 0 3 276.339 3.903 20 30 CHEDHN C[C@H](NC[C@@H]1COc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000290380430 525398015 /nfs/dbraw/zinc/39/80/15/525398015.db2.gz RSIMXSMWCKQGSO-SWLSCSKDSA-N 0 3 296.345 3.524 20 30 CHEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C#N)cc1 ZINC000299441055 525518216 /nfs/dbraw/zinc/51/82/16/525518216.db2.gz WVGNONGFBIHPLN-IBGZPJMESA-N 0 3 292.382 3.734 20 30 CHEDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000271945679 525525194 /nfs/dbraw/zinc/52/51/94/525525194.db2.gz QAZPELHKWFQBRB-CYBMUJFWSA-N 0 3 297.377 3.614 20 30 CHEDHN Cc1ccc([C@H](C)NCc2cccc(C#N)c2)s1 ZINC000037748758 525927308 /nfs/dbraw/zinc/92/73/08/525927308.db2.gz LWZPCENIAYZSCE-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@H](C)C1 ZINC000290011550 526037464 /nfs/dbraw/zinc/03/74/64/526037464.db2.gz ZSOQANIEBABSAL-NEPJUHHUSA-N 0 3 264.319 3.596 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278610206 526044283 /nfs/dbraw/zinc/04/42/83/526044283.db2.gz FJMAUQGSFUJIEB-DGCLKSJQSA-N 0 3 282.309 3.894 20 30 CHEDHN C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1F ZINC000055386691 526256025 /nfs/dbraw/zinc/25/60/25/526256025.db2.gz OIRYOENQDIIZPV-LRDDRELGSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccsc1C ZINC000352832010 526327231 /nfs/dbraw/zinc/32/72/31/526327231.db2.gz NNIOOLAFUDDOLL-UHFFFAOYSA-N 0 3 261.390 3.880 20 30 CHEDHN N#Cc1ccc(CN(C2CCC2)C2CCC2)c(F)c1 ZINC000292558119 526608307 /nfs/dbraw/zinc/60/83/07/526608307.db2.gz ZDGFGEBFIYCOLR-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000155487247 526626642 /nfs/dbraw/zinc/62/66/42/526626642.db2.gz COEDRFTZSHGGLA-KRWDZBQOSA-N 0 3 278.355 3.562 20 30 CHEDHN C#CCCOc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 ZINC000113336456 526744719 /nfs/dbraw/zinc/74/47/19/526744719.db2.gz JZYPDUJNYCCUIG-OAHLLOKOSA-N 0 3 295.382 3.645 20 30 CHEDHN C=CCC[C@H](N[C@H](C)C[C@@H]1CCCO1)c1ccco1 ZINC000353494458 527488340 /nfs/dbraw/zinc/48/83/40/527488340.db2.gz CUWLYZXUEXJXCM-ILXRZTDVSA-N 0 3 263.381 3.834 20 30 CHEDHN CC(C)COc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000192728463 528173440 /nfs/dbraw/zinc/17/34/40/528173440.db2.gz IMBMXCQKGUUJBM-NVXWUHKLSA-N 0 3 286.419 3.893 20 30 CHEDHN CC1(C#N)CCC(N[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000335281324 528833252 /nfs/dbraw/zinc/83/32/52/528833252.db2.gz NCPQCBADPPDSHO-MNAZLIDISA-N 0 3 272.367 3.686 20 30 CHEDHN CCN(C(=O)C(C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000347035117 529032382 /nfs/dbraw/zinc/03/23/82/529032382.db2.gz KFNWSKOVKZPSON-WDEREUQCSA-N 0 3 298.308 3.775 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734696 607014795 /nfs/dbraw/zinc/01/47/95/607014795.db2.gz RLWICEMLVMREFC-XJKSGUPXSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734696 607014796 /nfs/dbraw/zinc/01/47/96/607014796.db2.gz RLWICEMLVMREFC-XJKSGUPXSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894664 946506982 /nfs/dbraw/zinc/50/69/82/946506982.db2.gz WCHVAMXXRYOOFA-UONOGXRCSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894664 946506988 /nfs/dbraw/zinc/50/69/88/946506988.db2.gz WCHVAMXXRYOOFA-UONOGXRCSA-N 0 3 299.422 3.652 20 30 CHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccsc1 ZINC000294177988 1125478560 /nfs/dbraw/zinc/47/85/60/1125478560.db2.gz DIZISXWXOISECF-OAHLLOKOSA-N 0 3 256.374 3.861 20 30 CHEDHN C=CCCCCN(C)Cc1cc(OC)ccc1F ZINC001137997283 1131448152 /nfs/dbraw/zinc/44/81/52/1131448152.db2.gz FKFHBNMMHLJRGF-UHFFFAOYSA-N 0 3 251.345 3.622 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000618311014 1120100806 /nfs/dbraw/zinc/10/08/06/1120100806.db2.gz VWBSHFZFVZZCAL-CYBMUJFWSA-N 0 3 282.309 3.641 20 30 CHEDHN C=C(C)[C@H](NCC[C@@H](C)F)c1ccc(F)c(F)c1 ZINC000509135649 1120670164 /nfs/dbraw/zinc/67/01/64/1120670164.db2.gz HSSFVZTZZGKHTB-YGRLFVJLSA-N 0 3 257.299 3.920 20 30 CHEDHN C=CC[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC001174890175 1121065066 /nfs/dbraw/zinc/06/50/66/1121065066.db2.gz CVMAECSPGUUTGW-OAHLLOKOSA-N 0 3 259.780 3.590 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(C(C)(C)C)n1 ZINC000280736206 1121931945 /nfs/dbraw/zinc/93/19/45/1121931945.db2.gz WJZJBNIPPKMDIY-OCCSQVGLSA-N 0 3 294.464 3.511 20 30 CHEDHN C#C[C@H](NCc1cc2cccc(CC)c2o1)C(C)C ZINC001181576180 1122064409 /nfs/dbraw/zinc/06/44/09/1122064409.db2.gz KPWJAYRKXNQIKU-INIZCTEOSA-N 0 3 255.361 3.743 20 30 CHEDHN C#CCOc1cccc(Cl)c1CNCCCCC=C ZINC001202111720 1123178934 /nfs/dbraw/zinc/17/89/34/1123178934.db2.gz ZXRHEPPQZVSOAF-UHFFFAOYSA-N 0 3 277.795 3.798 20 30 CHEDHN CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(C)cc1[O-] ZINC000840787756 1123802063 /nfs/dbraw/zinc/80/20/63/1123802063.db2.gz PIGPGMUJRZUXKF-AWEZNQCLSA-N 0 3 260.381 3.681 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N(Cc2ccc(F)cc2C#N)C1 ZINC000525124777 1124115826 /nfs/dbraw/zinc/11/58/26/1124115826.db2.gz JRJSVFATDATWJU-CHWSQXEVSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C)cccc1C(C)C ZINC000876547409 1124958069 /nfs/dbraw/zinc/95/80/69/1124958069.db2.gz SGODQEQOIPFOGV-CYBMUJFWSA-N 0 3 280.799 3.527 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccc(F)cc1F ZINC000348259222 1125447773 /nfs/dbraw/zinc/44/77/73/1125447773.db2.gz DJURXFPCHDPEQY-SMDDNHRTSA-N 0 3 266.335 3.568 20 30 CHEDHN CCCCCCC[C@H](CC)N1CC[C@@H](O)[C@@H](F)C1 ZINC001172357659 1132185641 /nfs/dbraw/zinc/18/56/41/1132185641.db2.gz LLWCFBNVINVYSB-SOUVJXGZSA-N 0 3 259.409 3.530 20 30 CHEDHN N#CCCCCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133231373 1125508934 /nfs/dbraw/zinc/50/89/34/1125508934.db2.gz OJEMRIBZDMTLQQ-CQSZACIVSA-N 0 3 292.810 3.877 20 30 CHEDHN N#CCCCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000052045970 1125513860 /nfs/dbraw/zinc/51/38/60/1125513860.db2.gz NVFCQFAIGMGESF-UHFFFAOYSA-N 0 3 282.309 3.974 20 30 CHEDHN N#CCC[C@@H](NCc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000533497259 1125610904 /nfs/dbraw/zinc/61/09/04/1125610904.db2.gz GMEXYLJFISHXDX-MRXNPFEDSA-N 0 3 290.370 3.698 20 30 CHEDHN N#CCCCN1CCC[C@H]1Cc1ccccc1Cl ZINC000066425269 1125622537 /nfs/dbraw/zinc/62/25/37/1125622537.db2.gz WUDNMJXHSRDKLM-AWEZNQCLSA-N 0 3 262.784 3.651 20 30 CHEDHN CSc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1F ZINC000348356877 1125626746 /nfs/dbraw/zinc/62/67/46/1125626746.db2.gz NQVKCVGEFQBQMN-LLVKDONJSA-N 0 3 278.396 3.892 20 30 CHEDHN C=C[C@H](C#CC(C)(C)C)Oc1ccccc1CN(C)C ZINC001229701573 1125658335 /nfs/dbraw/zinc/65/83/35/1125658335.db2.gz JNUPPXLUPAOSFA-MRXNPFEDSA-N 0 3 271.404 3.731 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@H]1CCc2c1cccc2F ZINC000886923062 1125724635 /nfs/dbraw/zinc/72/46/35/1125724635.db2.gz KFZKPSRTSOEYBE-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN CSc1cc(C)cc(CN2CCC[C@@H](C#N)CC2)c1 ZINC001238685933 1131232963 /nfs/dbraw/zinc/23/29/63/1131232963.db2.gz RBWYJQHRBSVWLJ-CQSZACIVSA-N 0 3 274.433 3.843 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@H](O)CCC(C)C ZINC000481724898 1126708916 /nfs/dbraw/zinc/70/89/16/1126708916.db2.gz JESTWYYIGYJHDZ-CQSZACIVSA-N 0 3 267.438 3.533 20 30 CHEDHN CC1=C(c2ccco2)CN(Cc2cccc(C#N)c2)CC1 ZINC000338342183 1126736034 /nfs/dbraw/zinc/73/60/34/1126736034.db2.gz LNWIGIIUPMMGBV-UHFFFAOYSA-N 0 3 278.355 3.831 20 30 CHEDHN CCCCCCCCCNC(=O)c1ccc2c(c1)CNC2 ZINC000826599015 1126758460 /nfs/dbraw/zinc/75/84/60/1126758460.db2.gz YDIHRDHOYYMXDH-UHFFFAOYSA-N 0 3 288.435 3.770 20 30 CHEDHN C[C@H](NCCCCC#N)c1ncc(-c2ccccc2)o1 ZINC000174057214 1126766186 /nfs/dbraw/zinc/76/61/86/1126766186.db2.gz ZROBRMVGVIZCDO-ZDUSSCGKSA-N 0 3 269.348 3.686 20 30 CHEDHN C(#Cc1ccccc1)CN1CCC[C@@H]1c1ccccc1 ZINC000483535054 1126792222 /nfs/dbraw/zinc/79/22/22/1126792222.db2.gz DVSDPLIRCGXTLS-LJQANCHMSA-N 0 3 261.368 3.875 20 30 CHEDHN C=CC[C@@H](C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811479776 1130614405 /nfs/dbraw/zinc/61/44/05/1130614405.db2.gz LNZKCKRKCXDRAI-MRVPVSSYSA-N 0 3 289.162 3.956 20 30 CHEDHN COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000189346277 1126931657 /nfs/dbraw/zinc/93/16/57/1126931657.db2.gz KZAVOAOODMAFMM-CQSZACIVSA-N 0 3 280.371 3.760 20 30 CHEDHN C[C@H](N[C@H]1CCCc2c(O)cccc21)c1ccc(C#N)cc1 ZINC000192353529 1126960796 /nfs/dbraw/zinc/96/07/96/1126960796.db2.gz ZMOXDZQIZLGDQQ-UGSOOPFHSA-N 0 3 292.382 3.992 20 30 CHEDHN CCOc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)cc1 ZINC000486806006 1127004586 /nfs/dbraw/zinc/00/45/86/1127004586.db2.gz YLQQQBMQEZDFSI-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](CO)c1ccc(F)cc1F ZINC000668757118 1127023962 /nfs/dbraw/zinc/02/39/62/1127023962.db2.gz ZBYRDHKHUWZXST-LRDDRELGSA-N 0 3 283.362 3.723 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc(Cl)nc1 ZINC000150893673 1127108305 /nfs/dbraw/zinc/10/83/05/1127108305.db2.gz KMDYBIPOTJIAGL-UHFFFAOYSA-N 0 3 252.789 3.913 20 30 CHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(SC)CC1 ZINC000348871570 1127132916 /nfs/dbraw/zinc/13/29/16/1127132916.db2.gz YBBUPGTUDCHESZ-UHFFFAOYSA-N 0 3 293.480 3.738 20 30 CHEDHN C=CCOc1cccc(CN(C)Cc2ccc(O)cc2)c1 ZINC000349370455 1127149089 /nfs/dbraw/zinc/14/90/89/1127149089.db2.gz RGFUUSTWJRLOTO-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C=C(CNCc1cnc(C(C)(C)C)nc1)c1ccccc1 ZINC000284293023 1127180558 /nfs/dbraw/zinc/18/05/58/1127180558.db2.gz IFWKSPHSLKBJGR-UHFFFAOYSA-N 0 3 281.403 3.577 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(F)cc31)CC2 ZINC000589342401 1127217673 /nfs/dbraw/zinc/21/76/73/1127217673.db2.gz QRVDRTKXKQHPPX-MOPGFXCFSA-N 0 3 292.357 3.962 20 30 CHEDHN C=CCC[C@@H](CC)N[C@H](C)c1c(F)cncc1F ZINC000285726939 1127241862 /nfs/dbraw/zinc/24/18/62/1127241862.db2.gz QPGVCSXOJJGMLA-GHMZBOCLSA-N 0 3 254.324 3.755 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)c1ccccc1)c1ccco1 ZINC000285829852 1127244370 /nfs/dbraw/zinc/24/43/70/1127244370.db2.gz WVCJUKFERZYJMY-HOTGVXAUSA-N 0 3 271.360 3.610 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)c1ccc(C)o1)c1ccco1 ZINC000285898004 1127246375 /nfs/dbraw/zinc/24/63/75/1127246375.db2.gz CPJBAFVZZJFHFD-KGLIPLIRSA-N 0 3 275.348 3.512 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)c1ccccc1F)c1ccco1 ZINC000285916383 1127247178 /nfs/dbraw/zinc/24/71/78/1127247178.db2.gz DMTLMUYDWYRFDS-HOTGVXAUSA-N 0 3 289.350 3.749 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCC[C@H](c3ccccc3)C2)n1 ZINC000352931120 1127252279 /nfs/dbraw/zinc/25/22/79/1127252279.db2.gz FEEKIZFMKODPOS-GJZGRUSLSA-N 0 3 297.427 3.831 20 30 CHEDHN N#CCC1CCN(Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000590648924 1127266691 /nfs/dbraw/zinc/26/66/91/1127266691.db2.gz AXXHEAYQXXYFTC-UHFFFAOYSA-N 0 3 289.766 3.607 20 30 CHEDHN COC1([C@H](C)NCc2ccc(C#N)cc2F)CCCCC1 ZINC000591531579 1127307843 /nfs/dbraw/zinc/30/78/43/1127307843.db2.gz JODHEEBMJBDMFA-ZDUSSCGKSA-N 0 3 290.382 3.525 20 30 CHEDHN Cc1c2ccccc2n(C)c1CNCc1cc(C#N)cs1 ZINC000355141261 1127320266 /nfs/dbraw/zinc/32/02/66/1127320266.db2.gz ZKOCDELWGKJHDJ-UHFFFAOYSA-N 0 3 295.411 3.710 20 30 CHEDHN N#Cc1cnccc1CN[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000592108334 1127333551 /nfs/dbraw/zinc/33/35/51/1127333551.db2.gz VWDHMYSLFDPWRE-RBUKOAKNSA-N 0 3 291.398 3.769 20 30 CHEDHN CCCCN(Cc1ccncc1C#N)C1CCCCC1 ZINC000592068257 1127334976 /nfs/dbraw/zinc/33/49/76/1127334976.db2.gz QQBVHDMQGTYLEZ-UHFFFAOYSA-N 0 3 271.408 3.888 20 30 CHEDHN Cc1cnc(CCN[C@H](C)c2ccc(C#N)cc2F)c(C)c1 ZINC000592099749 1127336027 /nfs/dbraw/zinc/33/60/27/1127336027.db2.gz NFLVFTLDFMXXNP-CQSZACIVSA-N 0 3 297.377 3.603 20 30 CHEDHN N#Cc1cnccc1CN[C@H]1CCCCC12CCCC2 ZINC000592122281 1127336268 /nfs/dbraw/zinc/33/62/68/1127336268.db2.gz JZGHIDKMIGTIHT-INIZCTEOSA-N 0 3 269.392 3.546 20 30 CHEDHN N#CCCC1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000592135990 1127337307 /nfs/dbraw/zinc/33/73/07/1127337307.db2.gz VZQFZZPIUZQAFB-UHFFFAOYSA-N 0 3 284.403 3.744 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NC2(c3ccccc3F)CCC2)C1 ZINC000592398613 1127345500 /nfs/dbraw/zinc/34/55/00/1127345500.db2.gz ZEANBVQGHJTGGS-KGLIPLIRSA-N 0 3 272.367 3.877 20 30 CHEDHN N#Cc1ccc(CN2CCCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000593034995 1127368097 /nfs/dbraw/zinc/36/80/97/1127368097.db2.gz NRXBHDIHBFKHOT-INIZCTEOSA-N 0 3 299.374 3.621 20 30 CHEDHN N#CCCCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593125876 1127375663 /nfs/dbraw/zinc/37/56/63/1127375663.db2.gz POLCPISRFBHXDK-BZSNNMDCSA-N 0 3 284.403 3.675 20 30 CHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000289680154 1127384912 /nfs/dbraw/zinc/38/49/12/1127384912.db2.gz HQOAGRVWECXRTE-RHSMWYFYSA-N 0 3 297.398 3.560 20 30 CHEDHN C#Cc1ccc(CN[C@H](C)c2cn(C(C)(C)C)nc2C)cc1 ZINC000289873487 1127385924 /nfs/dbraw/zinc/38/59/24/1127385924.db2.gz WIDJIURKDOZCCH-CQSZACIVSA-N 0 3 295.430 3.779 20 30 CHEDHN C[C@H](CCc1cccc(F)c1)NCC1(C#N)CCCC1 ZINC000593653488 1127392696 /nfs/dbraw/zinc/39/26/96/1127392696.db2.gz MMNVOYCIEUHLOC-CQSZACIVSA-N 0 3 274.383 3.820 20 30 CHEDHN N#CC1(CN[C@H]2CC[C@@H](c3ccccc3)C2)CCCC1 ZINC000593654352 1127393728 /nfs/dbraw/zinc/39/37/28/1127393728.db2.gz BDVQBYVSKAXJIF-SJORKVTESA-N 0 3 268.404 3.996 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@H](c3cccnc3)C2)CCCC1 ZINC000593654322 1127393154 /nfs/dbraw/zinc/39/31/54/1127393154.db2.gz AZDWKNLSZDALIN-DOTOQJQBSA-N 0 3 283.419 3.781 20 30 CHEDHN C[C@H](CCc1ccc(F)cc1F)NCC1(C#N)CCCC1 ZINC000593654582 1127394135 /nfs/dbraw/zinc/39/41/35/1127394135.db2.gz JEGCSTUPJHSXEX-CYBMUJFWSA-N 0 3 292.373 3.959 20 30 CHEDHN C=C[C@H](C)N[C@@H](CC)c1cc(Cl)ccc1OC ZINC000358304172 1127414218 /nfs/dbraw/zinc/41/42/18/1127414218.db2.gz RDXBOYUAJBWZCY-GWCFXTLKSA-N 0 3 253.773 3.964 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1ccccc1F ZINC000594709297 1127429238 /nfs/dbraw/zinc/42/92/38/1127429238.db2.gz FLPSDDCNOUFBFU-LBPRGKRZSA-N 0 3 253.386 3.786 20 30 CHEDHN Cc1ccncc1[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594936188 1127438597 /nfs/dbraw/zinc/43/85/97/1127438597.db2.gz UYENQWFEYXWEAP-HNNXBMFYSA-N 0 3 291.398 3.796 20 30 CHEDHN Cc1cscc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594939534 1127438674 /nfs/dbraw/zinc/43/86/74/1127438674.db2.gz SCMWSUZVWCRJHY-UHFFFAOYSA-N 0 3 282.412 3.902 20 30 CHEDHN COCc1csc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000594939511 1127438886 /nfs/dbraw/zinc/43/88/86/1127438886.db2.gz RKCVPJBEVSOPLN-KRWDZBQOSA-N 0 3 298.411 3.543 20 30 CHEDHN CCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594964201 1127440751 /nfs/dbraw/zinc/44/07/51/1127440751.db2.gz BVGCYDAKGGXSRM-UHFFFAOYSA-N 0 3 294.398 3.982 20 30 CHEDHN C[C@@H](Cc1ccc(F)cc1)NCC1(C#N)CCCCC1 ZINC000594981466 1127443267 /nfs/dbraw/zinc/44/32/67/1127443267.db2.gz QRSRNTCXSSUPCL-AWEZNQCLSA-N 0 3 274.383 3.820 20 30 CHEDHN COc1cccc(C2(NCc3ccc(C#N)cc3)CCC2)c1 ZINC000594997433 1127445226 /nfs/dbraw/zinc/44/52/26/1127445226.db2.gz LOYUTPJFTQBWPJ-UHFFFAOYSA-N 0 3 292.382 3.736 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000595057291 1127446883 /nfs/dbraw/zinc/44/68/83/1127446883.db2.gz BZOMPOAWJKXJAS-LBPRGKRZSA-N 0 3 253.411 3.856 20 30 CHEDHN C=C(CN[C@@H](c1nc[nH]n1)C1CCCCC1)c1ccccc1 ZINC000292197829 1127455853 /nfs/dbraw/zinc/45/58/53/1127455853.db2.gz PKGJKTRTEOGODP-QGZVFWFLSA-N 0 3 296.418 3.729 20 30 CHEDHN C=C(C[NH2+][C@@H](c1nnc[n-]1)C1CCCCC1)c1ccccc1 ZINC000292197829 1127455855 /nfs/dbraw/zinc/45/58/55/1127455855.db2.gz PKGJKTRTEOGODP-QGZVFWFLSA-N 0 3 296.418 3.729 20 30 CHEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCCCC2)cc1 ZINC000595097060 1127456127 /nfs/dbraw/zinc/45/61/27/1127456127.db2.gz HAYXSOFASVWDFO-OAHLLOKOSA-N 0 3 286.419 3.690 20 30 CHEDHN N#CCC1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000595424124 1127462441 /nfs/dbraw/zinc/46/24/41/1127462441.db2.gz FMLWFYLGAWIKHG-UHFFFAOYSA-N 0 3 296.386 3.683 20 30 CHEDHN N#C[C@H]1CC[C@@H](N2CCC(=Cc3ccccc3F)CC2)C1 ZINC000292738013 1127478737 /nfs/dbraw/zinc/47/87/37/1127478737.db2.gz HCMGVGSVQNFNBA-DOTOQJQBSA-N 0 3 284.378 3.997 20 30 CHEDHN C/C(=C/c1ccccc1)CN1CCC[C@H](CC#N)C1 ZINC000597173350 1127531477 /nfs/dbraw/zinc/53/14/77/1127531477.db2.gz JFAJXSVRNNQQOP-MLRPBERTSA-N 0 3 254.377 3.716 20 30 CHEDHN COCc1ccccc1/C=C(/C)CN1CCC[C@@H](CC#N)C1 ZINC000597175325 1127532218 /nfs/dbraw/zinc/53/22/18/1127532218.db2.gz AVKJEMXREXWMFO-WBILKINKSA-N 0 3 298.430 3.862 20 30 CHEDHN CC(C)COc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000597175866 1127532717 /nfs/dbraw/zinc/53/27/17/1127532717.db2.gz FJPBCQDZPGBSOP-MRXNPFEDSA-N 0 3 286.419 3.847 20 30 CHEDHN COCc1ccccc1/C=C(\C)CN1CCC[C@H](CC#N)C1 ZINC000597175319 1127532852 /nfs/dbraw/zinc/53/28/52/1127532852.db2.gz AVKJEMXREXWMFO-NWNNTGRJSA-N 0 3 298.430 3.862 20 30 CHEDHN CC(C)(C#N)CCCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361574353 1127573356 /nfs/dbraw/zinc/57/33/56/1127573356.db2.gz VLVHMBYVBLZYGB-UHFFFAOYSA-N 0 3 298.430 3.959 20 30 CHEDHN C[C@@H]1CN(Cc2cccc(C#N)n2)CC[C@H]1c1ccccc1 ZINC000602476326 1127580820 /nfs/dbraw/zinc/58/08/20/1127580820.db2.gz NAULTCXJUTXILA-DNVCBOLYSA-N 0 3 291.398 3.579 20 30 CHEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602465254 1127583012 /nfs/dbraw/zinc/58/30/12/1127583012.db2.gz MIYYJUBYTJNZLS-KRWDZBQOSA-N 0 3 299.462 3.775 20 30 CHEDHN C[C@H](CCC#N)CN1CCc2c(Cl)cccc2C1 ZINC000602477878 1127584250 /nfs/dbraw/zinc/58/42/50/1127584250.db2.gz YKKHLJVHWZIICY-GFCCVEGCSA-N 0 3 262.784 3.638 20 30 CHEDHN Cc1ccc(-c2nc(CNC[C@H](C)CCC#N)co2)cc1 ZINC000602561483 1127592954 /nfs/dbraw/zinc/59/29/54/1127592954.db2.gz RBTONSIRDICINI-CQSZACIVSA-N 0 3 283.375 3.680 20 30 CHEDHN C[C@@H](CCC#N)CN[C@H](c1ccco1)c1ccccc1 ZINC000602593755 1127595094 /nfs/dbraw/zinc/59/50/94/1127595094.db2.gz OEEZSKCDCQFERJ-YOEHRIQHSA-N 0 3 268.360 3.898 20 30 CHEDHN CCOc1ccccc1[C@@H](CC)NCC1(CC#N)CC1 ZINC000602803323 1127615334 /nfs/dbraw/zinc/61/53/34/1127615334.db2.gz VZCWONHOPCMAMF-OAHLLOKOSA-N 0 3 272.392 3.820 20 30 CHEDHN CC1(C)CN(CC2(CC#N)CC2)CC[C@@H]1C(F)(F)F ZINC000602824808 1127616396 /nfs/dbraw/zinc/61/63/96/1127616396.db2.gz HRQANSKVMWZCLE-NSHDSACASA-N 0 3 274.330 3.591 20 30 CHEDHN COc1ccc(Cl)cc1C(C)(C)NCC1(CC#N)CC1 ZINC000602845146 1127617548 /nfs/dbraw/zinc/61/75/48/1127617548.db2.gz HKCPOSYHQHAOLT-UHFFFAOYSA-N 0 3 292.810 3.867 20 30 CHEDHN CC(C)N(Cc1cccc(F)c1)CC1(CC#N)CC1 ZINC000602765010 1127613610 /nfs/dbraw/zinc/61/36/10/1127613610.db2.gz TXFBAUKZYFZMRX-UHFFFAOYSA-N 0 3 260.356 3.730 20 30 CHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(C2CC2)c1 ZINC000296082161 1127663112 /nfs/dbraw/zinc/66/31/12/1127663112.db2.gz QPCDIJMSYIDLAB-CYBMUJFWSA-N 0 3 279.387 3.625 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)cc1F ZINC000599344329 1127668450 /nfs/dbraw/zinc/66/84/50/1127668450.db2.gz CDYFSRRDDYJNPJ-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN COc1ccc(C2(NCc3ccc(C)c(C#N)c3)CC2)cc1 ZINC000599362052 1127670075 /nfs/dbraw/zinc/67/00/75/1127670075.db2.gz PUJMYOZILKOWQA-UHFFFAOYSA-N 0 3 292.382 3.654 20 30 CHEDHN Cc1cc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)ccc1C#N ZINC000599515833 1127676642 /nfs/dbraw/zinc/67/66/42/1127676642.db2.gz VLSJSWLGNFOWSW-STQMWFEESA-N 0 3 278.346 3.590 20 30 CHEDHN Cc1ccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1C#N ZINC000599514219 1127677013 /nfs/dbraw/zinc/67/70/13/1127677013.db2.gz FIKDGGRCNZUNKH-STQMWFEESA-N 0 3 278.346 3.590 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000599530055 1127678185 /nfs/dbraw/zinc/67/81/85/1127678185.db2.gz SMGBOOOUIVRCSG-GFCCVEGCSA-N 0 3 260.768 3.610 20 30 CHEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)cc(C)c1O ZINC000298279752 1127718338 /nfs/dbraw/zinc/71/83/38/1127718338.db2.gz FDMNRLAJFKQCBH-UHFFFAOYSA-N 0 3 280.371 3.513 20 30 CHEDHN C=C(Br)CNCC[C@@H](C)c1ccccc1 ZINC000061910557 1127726662 /nfs/dbraw/zinc/72/66/62/1127726662.db2.gz VTSPUOTVEQYUNC-LLVKDONJSA-N 0 3 268.198 3.678 20 30 CHEDHN C=C(CNCc1cnc2ccc(Cl)cn12)c1ccccc1 ZINC000606469546 1127764693 /nfs/dbraw/zinc/76/46/93/1127764693.db2.gz AAVCQJKCTLGOET-UHFFFAOYSA-N 0 3 297.789 3.791 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)s1 ZINC000230635898 1127769371 /nfs/dbraw/zinc/76/93/71/1127769371.db2.gz ICAYTBMNYBLFRC-LLVKDONJSA-N 0 3 274.364 3.918 20 30 CHEDHN C[C@@H](CN1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC000594028664 1127771712 /nfs/dbraw/zinc/77/17/12/1127771712.db2.gz STHQTXNQBVXYQK-AWEZNQCLSA-N 0 3 262.356 3.678 20 30 CHEDHN N#CC1(CCN2CCCc3occc3C2)CCCCC1 ZINC000411756201 1127872706 /nfs/dbraw/zinc/87/27/06/1127872706.db2.gz SCVPXSOWSDIBJP-UHFFFAOYSA-N 0 3 272.392 3.892 20 30 CHEDHN N#Cc1cc(CN2CCSC3(CCC3)CC2)ccc1F ZINC000411871026 1127877056 /nfs/dbraw/zinc/87/70/56/1127877056.db2.gz PZKTUUFOLLMBJO-UHFFFAOYSA-N 0 3 290.407 3.559 20 30 CHEDHN COc1ccc(C#N)cc1CN(C)CCCc1ccccc1 ZINC000535330506 1127912441 /nfs/dbraw/zinc/91/24/41/1127912441.db2.gz QMLRLDXZBPOJJR-UHFFFAOYSA-N 0 3 294.398 3.631 20 30 CHEDHN C=CCCCCCN(C)Cc1cn(C)nc1C(C)(C)C ZINC000539406478 1127922093 /nfs/dbraw/zinc/92/20/93/1127922093.db2.gz VZYGUHNORLZQBU-UHFFFAOYSA-N 0 3 277.456 3.896 20 30 CHEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC2(C#N)CC2)cc1 ZINC000540552147 1127984739 /nfs/dbraw/zinc/98/47/39/1127984739.db2.gz BYFGQNJDZUSRLF-IRXDYDNUSA-N 0 3 268.404 3.867 20 30 CHEDHN C[C@H](C#N)CN(CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000468392431 1128005972 /nfs/dbraw/zinc/00/59/72/1128005972.db2.gz LKBOIBGYVPUZIA-PNESKVBLSA-N 0 3 288.357 3.979 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(F)ccc1C#N ZINC000468952631 1128028893 /nfs/dbraw/zinc/02/88/93/1128028893.db2.gz LIXQAEFLLVGUJV-PBFPGSCMSA-N 0 3 272.367 3.850 20 30 CHEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000542279798 1128061251 /nfs/dbraw/zinc/06/12/51/1128061251.db2.gz MPXSUBUTWSXCIL-KXBFYZLASA-N 0 3 276.383 3.946 20 30 CHEDHN C[C@@H](O)c1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271938458 1128082346 /nfs/dbraw/zinc/08/23/46/1128082346.db2.gz NVOHSYWFEBAQAV-QWHCGFSZSA-N 0 3 298.361 3.601 20 30 CHEDHN CCC#C[C@H](C)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943776 1128084570 /nfs/dbraw/zinc/08/45/70/1128084570.db2.gz AHMRJACAQPNWRM-QWHCGFSZSA-N 0 3 273.342 3.843 20 30 CHEDHN C[C@@H]1CN(CCOc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000471022598 1128085470 /nfs/dbraw/zinc/08/54/70/1128085470.db2.gz ODUZWJOTYQPWKK-BEFAXECRSA-N 0 3 292.382 3.630 20 30 CHEDHN C#CCCCN[C@@H](CCC)c1ncccc1Cl ZINC000925158779 1128124553 /nfs/dbraw/zinc/12/45/53/1128124553.db2.gz ATADGKQYPWKFOX-ZDUSSCGKSA-N 0 3 250.773 3.579 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NC1(c2ccc(F)cc2)CC1 ZINC000925848096 1128144326 /nfs/dbraw/zinc/14/43/26/1128144326.db2.gz ZXPQDMUOXISDST-LBPRGKRZSA-N 0 3 260.356 3.733 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cc(OC)no1 ZINC000926591413 1128182494 /nfs/dbraw/zinc/18/24/94/1128182494.db2.gz LJIOUVRDRUVSSX-UKRRQHHQSA-N 0 3 286.375 3.521 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1C#N ZINC000926967201 1128206786 /nfs/dbraw/zinc/20/67/86/1128206786.db2.gz QHJYHJONVMUPFL-LJQANCHMSA-N 0 3 291.398 3.903 20 30 CHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C)c(C#N)c1)CC2 ZINC000926967949 1128206970 /nfs/dbraw/zinc/20/69/70/1128206970.db2.gz ZHEMWIFTMVPJRW-IBGZPJMESA-N 0 3 292.382 3.652 20 30 CHEDHN CC(C)C(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000784490886 1128223773 /nfs/dbraw/zinc/22/37/73/1128223773.db2.gz ZSSXUABQUMZGJZ-NSHDSACASA-N 0 3 270.332 3.686 20 30 CHEDHN CC(C)CCN(CCC#N)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929781729 1128287379 /nfs/dbraw/zinc/28/73/79/1128287379.db2.gz VJDDRWTUQNQQQH-BTTYYORXSA-N 0 3 270.367 3.539 20 30 CHEDHN CC(C)CC[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930205872 1128307128 /nfs/dbraw/zinc/30/71/28/1128307128.db2.gz OYXMVJVFLVQKHF-HZPDHXFCSA-N 0 3 294.826 3.681 20 30 CHEDHN Cc1ccccc1[C@H](NCc1cncc(C#N)c1)C(C)C ZINC000930218244 1128308687 /nfs/dbraw/zinc/30/86/87/1128308687.db2.gz WSCQWXLNMRWXJQ-GOSISDBHSA-N 0 3 279.387 3.749 20 30 CHEDHN C[C@@H]1CCN(CCCCC2(C#N)CCC2)C[C@H]1F ZINC000930244794 1128310352 /nfs/dbraw/zinc/31/03/52/1128310352.db2.gz PLNYVCKYULBZMD-ZIAGYGMSSA-N 0 3 252.377 3.530 20 30 CHEDHN Cc1ncc([C@H](C)NCc2c(C)cc(C#N)cc2C)s1 ZINC000931467031 1128362831 /nfs/dbraw/zinc/36/28/31/1128362831.db2.gz GXLDJEQWSUWKKD-LBPRGKRZSA-N 0 3 285.416 3.791 20 30 CHEDHN C=CCCCCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931803850 1128382355 /nfs/dbraw/zinc/38/23/55/1128382355.db2.gz YUTMLMCPSLLYIG-SFHVURJKSA-N 0 3 281.403 3.714 20 30 CHEDHN CC(C)C[C@@H](CNCC1(C#N)CC1)c1ccccc1 ZINC000562391803 1128399503 /nfs/dbraw/zinc/39/95/03/1128399503.db2.gz SYDYXNRKHNTLJU-INIZCTEOSA-N 0 3 256.393 3.710 20 30 CHEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191762 1128400091 /nfs/dbraw/zinc/40/00/91/1128400091.db2.gz OLHLSKVGBSHRAK-QWHCGFSZSA-N 0 3 289.448 3.503 20 30 CHEDHN C[C@H]1CN(CCOc2ccc(C#N)cc2)Cc2ccccc21 ZINC000916151267 1128410216 /nfs/dbraw/zinc/41/02/16/1128410216.db2.gz DICWBLOXKCWBTP-HNNXBMFYSA-N 0 3 292.382 3.556 20 30 CHEDHN C#CCC1(NCC(=O)Nc2c(C)cccc2C(C)C)CCC1 ZINC000933302932 1128433086 /nfs/dbraw/zinc/43/30/86/1128433086.db2.gz DDTFZFNFYXFDKA-UHFFFAOYSA-N 0 3 298.430 3.593 20 30 CHEDHN Cc1cccc(N2CCN(CCCC(C)(C)C#N)CC2)c1C ZINC000124599745 1128445080 /nfs/dbraw/zinc/44/50/80/1128445080.db2.gz WWBXYGAOHCDGIQ-UHFFFAOYSA-N 0 3 299.462 3.755 20 30 CHEDHN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)CCC#N ZINC000563220110 1128455998 /nfs/dbraw/zinc/45/59/98/1128455998.db2.gz ORHJAHGIXAWQNG-UONOGXRCSA-N 0 3 260.381 3.817 20 30 CHEDHN CCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000916955485 1128464650 /nfs/dbraw/zinc/46/46/50/1128464650.db2.gz RBYVRSNQZANZNU-SWLSCSKDSA-N 0 3 286.375 3.648 20 30 CHEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000934649157 1128465690 /nfs/dbraw/zinc/46/56/90/1128465690.db2.gz LWQNTZAHAAZBKM-INIZCTEOSA-N 0 3 288.435 3.919 20 30 CHEDHN C[C@H]1CN(CCOc2cccc(C#N)c2)Cc2ccccc21 ZINC000917039410 1128468600 /nfs/dbraw/zinc/46/86/00/1128468600.db2.gz CDSIODOSQOHNPL-HNNXBMFYSA-N 0 3 292.382 3.556 20 30 CHEDHN CCCC[C@@H](CCC)CNCc1nc(C#N)cs1 ZINC000563755017 1128477092 /nfs/dbraw/zinc/47/70/92/1128477092.db2.gz KVNNMCXUJWUDCZ-GFCCVEGCSA-N 0 3 265.426 3.711 20 30 CHEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000128555454 1128502697 /nfs/dbraw/zinc/50/26/97/1128502697.db2.gz JRSCYVVSQKDKMN-RTBURBONSA-N 0 3 299.389 3.832 20 30 CHEDHN Cc1cc(CN[C@@H]2CCc3ccc(F)cc32)ccc1C#N ZINC000565577473 1128528907 /nfs/dbraw/zinc/52/89/07/1128528907.db2.gz WUPXYMVVRXGZKH-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN Cc1cc(CN[C@H]2CCc3ccc(F)cc32)ccc1C#N ZINC000565577474 1128529184 /nfs/dbraw/zinc/52/91/84/1128529184.db2.gz WUPXYMVVRXGZKH-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN C=CCCCCN[C@H](C)c1c(F)cccc1OC ZINC000310922501 1128546095 /nfs/dbraw/zinc/54/60/95/1128546095.db2.gz RNBSJVFGLUCUTA-GFCCVEGCSA-N 0 3 251.345 3.841 20 30 CHEDHN COc1cccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000568776631 1128591557 /nfs/dbraw/zinc/59/15/57/1128591557.db2.gz WOQZDFNXCRYADC-ORAYPTAESA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCN(Cc1ccc(C#N)cn1)CC1CCCCC1 ZINC000570814182 1128632719 /nfs/dbraw/zinc/63/27/19/1128632719.db2.gz XGKWRMYTAVQFRK-UHFFFAOYSA-N 0 3 269.392 3.522 20 30 CHEDHN COc1cc(CNC/C=C\c2ccc(F)cc2)ccc1C#N ZINC000571724875 1128637895 /nfs/dbraw/zinc/63/78/95/1128637895.db2.gz FUTSKXXDPZWKLB-IHWYPQMZSA-N 0 3 296.345 3.509 20 30 CHEDHN CC(C)c1ccc([C@@H]2CCCCN2C[C@H](O)CC#N)cc1 ZINC000930136379 1128687332 /nfs/dbraw/zinc/68/73/32/1128687332.db2.gz FWCRXXJNKMSMQV-MSOLQXFVSA-N 0 3 286.419 3.612 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccs2)c([O-])c1 ZINC000920942273 1128695002 /nfs/dbraw/zinc/69/50/02/1128695002.db2.gz VHWFILNNQAIORV-BOPFTXTBSA-N 0 3 288.416 3.919 20 30 CHEDHN C=CCOc1ccccc1CNC[C@@H]1CC1(Cl)Cl ZINC000920956844 1128697108 /nfs/dbraw/zinc/69/71/08/1128697108.db2.gz WEFYRZDVDDKOSD-LBPRGKRZSA-N 0 3 286.202 3.535 20 30 CHEDHN CCC[C@H](NCC1(CC#N)CC1)c1cc(C)ccn1 ZINC000601280958 1128708034 /nfs/dbraw/zinc/70/80/34/1128708034.db2.gz VHSAJGROVOCRIF-AWEZNQCLSA-N 0 3 257.381 3.515 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccsc2C(F)(F)F)C1 ZINC000601288417 1128708998 /nfs/dbraw/zinc/70/89/98/1128708998.db2.gz XKZILPDLMPDWSG-ONGXEEELSA-N 0 3 288.338 3.939 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1CCOc2ccccc21 ZINC000921487821 1128710602 /nfs/dbraw/zinc/71/06/02/1128710602.db2.gz YBYROWDXQOKQKF-SFHVURJKSA-N 0 3 292.382 3.789 20 30 CHEDHN N#CC(C(=O)CCc1ccc(Cl)s1)c1ccccn1 ZINC000049458588 1117749790 /nfs/dbraw/zinc/74/97/90/1117749790.db2.gz WLZONHNFQILLRA-LLVKDONJSA-N 0 3 290.775 3.606 20 30 CHEDHN CN(C)[C@H]1CCOc2c(NC3=CC[C@@H](C#N)CC3)cccc21 ZINC001212867267 1128734030 /nfs/dbraw/zinc/73/40/30/1128734030.db2.gz SHMYGHVEHDPACT-DYVFJYSZSA-N 0 3 297.402 3.691 20 30 CHEDHN CN(C)[C@@H]1CCOc2c(NC3=CC[C@H](C#N)CC3)cccc21 ZINC001212867269 1128734555 /nfs/dbraw/zinc/73/45/55/1128734555.db2.gz SHMYGHVEHDPACT-SUMWQHHRSA-N 0 3 297.402 3.691 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2ncccc2c1 ZINC000131177288 1117795047 /nfs/dbraw/zinc/79/50/47/1117795047.db2.gz YVKXIQXHOHSCGM-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN2CC3(C2)C[C@@H](F)CS3)CC1 ZINC001208177859 1117856582 /nfs/dbraw/zinc/85/65/82/1117856582.db2.gz IEZBEFOTINXNNE-HUUCEWRRSA-N 0 3 281.440 3.818 20 30 CHEDHN N#Cc1c(CN2CCC3(C2)CCCCC3)cn2ccccc12 ZINC000610216230 1117883571 /nfs/dbraw/zinc/88/35/71/1117883571.db2.gz GQCGRXYYTWXBBN-UHFFFAOYSA-N 0 3 293.414 3.967 20 30 CHEDHN N#CC(C(=O)C=Cc1ccc2ccccc2n1)c1ccccn1 ZINC000254952069 1117915521 /nfs/dbraw/zinc/91/55/21/1117915521.db2.gz VKDNGKVPMCYLHO-SNGWPZLWSA-N 0 3 299.333 3.519 20 30 CHEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCCCCCC1 ZINC001346096128 1118031845 /nfs/dbraw/zinc/03/18/45/1118031845.db2.gz MOMMQDVYWOIJSZ-LBPRGKRZSA-N 0 3 293.798 3.610 20 30 CHEDHN CCOc1ccc(C)c(CN2CCC[C@@H](C#N)CC2)c1 ZINC001238706015 1118074633 /nfs/dbraw/zinc/07/46/33/1118074633.db2.gz DDEKFMWPINOUTP-OAHLLOKOSA-N 0 3 272.392 3.519 20 30 CHEDHN COc1ccc(CN2CCC[C@@H]2c2ccccc2)cc1C#N ZINC000340129042 1118076472 /nfs/dbraw/zinc/07/64/72/1118076472.db2.gz NMDWAEKMJJVRNL-GOSISDBHSA-N 0 3 292.382 3.904 20 30 CHEDHN COc1cccc(C2(NCc3ccc(CC#N)cc3)CC2)c1 ZINC000510238019 1118099370 /nfs/dbraw/zinc/09/93/70/1118099370.db2.gz HMXREZIYTRDPNZ-UHFFFAOYSA-N 0 3 292.382 3.540 20 30 CHEDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(C#N)cc1 ZINC000921515437 1118154776 /nfs/dbraw/zinc/15/47/76/1118154776.db2.gz DKRVCCKRUKUWSR-CQSZACIVSA-N 0 3 292.382 3.734 20 30 CHEDHN C=C(Br)CNc1ccnc2cc(OC)ccc21 ZINC000765474218 1118155115 /nfs/dbraw/zinc/15/51/15/1118155115.db2.gz MLQSDKUKMIWFSW-UHFFFAOYSA-N 0 3 293.164 3.564 20 30 CHEDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C#N)cc1 ZINC000172113130 1118199433 /nfs/dbraw/zinc/19/94/33/1118199433.db2.gz OWADLMCTIIUIQM-CYBMUJFWSA-N 0 3 297.377 3.614 20 30 CHEDHN N#Cc1cc(CNCc2cc3c(s2)CCCC3)cs1 ZINC000921610711 1118205352 /nfs/dbraw/zinc/20/53/52/1118205352.db2.gz WRDXMJXYUWXMLO-UHFFFAOYSA-N 0 3 288.441 3.850 20 30 CHEDHN CC[C@H]1CC[C@H](C)N1Cc1cc(Cl)cc(C#N)c1 ZINC001168580162 1118270638 /nfs/dbraw/zinc/27/06/38/1118270638.db2.gz MHJZRZVRWGIUDQ-NHYWBVRUSA-N 0 3 262.784 3.975 20 30 CHEDHN CC[C@H]1CC[C@@H](C)N1Cc1cc(Cl)cc(C#N)c1 ZINC001168580150 1118271156 /nfs/dbraw/zinc/27/11/56/1118271156.db2.gz MHJZRZVRWGIUDQ-ABAIWWIYSA-N 0 3 262.784 3.975 20 30 CHEDHN C[C@H](NCC1=Cc2ccccc2OC1)c1cccc(C#N)c1 ZINC000610345146 1118336889 /nfs/dbraw/zinc/33/68/89/1118336889.db2.gz UVPCTAWVXAGTML-AWEZNQCLSA-N 0 3 290.366 3.685 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1ccnc(OC)c1)c1ccc(C#N)cc1 ZINC000348642786 1118373287 /nfs/dbraw/zinc/37/32/87/1118373287.db2.gz NQZIYYFWVSCKCY-SUMWQHHRSA-N 0 3 295.386 3.764 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CCCC1 ZINC000530971298 1118426094 /nfs/dbraw/zinc/42/60/94/1118426094.db2.gz UZLUMNIBSDGTRE-ZWKOTPCHSA-N 0 3 268.404 3.948 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1c(F)cc(C#N)cc1F ZINC000341131244 1118603344 /nfs/dbraw/zinc/60/33/44/1118603344.db2.gz UCESVWYBEPAACU-VXGBXAGGSA-N 0 3 293.361 3.511 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cncc(F)c1 ZINC000335906357 1118670195 /nfs/dbraw/zinc/67/01/95/1118670195.db2.gz XEMDUHZFSNBRJW-KZULUSFZSA-N 0 3 295.361 3.821 20 30 CHEDHN CCSCC[C@@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000126819669 1118686900 /nfs/dbraw/zinc/68/69/00/1118686900.db2.gz IURTXFFOFZFJTN-CYBMUJFWSA-N 0 3 292.448 3.530 20 30 CHEDHN Cc1[nH]c2ccc(CNCc3cccc(C#N)c3)cc2c1C ZINC000065013559 1118715832 /nfs/dbraw/zinc/71/58/32/1118715832.db2.gz LCODOZSXNUQKOG-UHFFFAOYSA-N 0 3 289.382 3.946 20 30 CHEDHN COc1ccc([C@H]2CCN(Cc3csc(C#N)c3)C2)cc1 ZINC000891870737 1118815794 /nfs/dbraw/zinc/81/57/94/1118815794.db2.gz WHJOUSPRCKZOPX-HNNXBMFYSA-N 0 3 298.411 3.618 20 30 CHEDHN CCc1ccc(CN(C)Cc2ccc(C#N)cc2)s1 ZINC000535785558 1118885542 /nfs/dbraw/zinc/88/55/42/1118885542.db2.gz JGHCOYUDTYRADQ-UHFFFAOYSA-N 0 3 270.401 3.814 20 30 CHEDHN Cc1cccc(CN(Cc2ccnc(C#N)c2)CC(C)C)c1 ZINC000610992133 1118917595 /nfs/dbraw/zinc/91/75/95/1118917595.db2.gz CBWBLBWAFFTKDE-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN N#Cc1cc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)ccn1 ZINC000610993002 1118917602 /nfs/dbraw/zinc/91/76/02/1118917602.db2.gz ZCMSHHRMZQUQAN-OAHLLOKOSA-N 0 3 297.789 3.596 20 30 CHEDHN CC(C)(C)[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000610993049 1118919632 /nfs/dbraw/zinc/91/96/32/1118919632.db2.gz BLVBRPKDQKOHLV-QGZVFWFLSA-N 0 3 279.387 3.830 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000582340336 1119053722 /nfs/dbraw/zinc/05/37/22/1119053722.db2.gz WZTAVIZVORXUOG-CYBMUJFWSA-N 0 3 296.418 3.772 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc2c(c1)ncn2C ZINC000342687143 1119126258 /nfs/dbraw/zinc/12/62/58/1119126258.db2.gz ZULLDFJLRPOVBG-UHFFFAOYSA-N 0 3 291.398 3.762 20 30 CHEDHN CCN(Cc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC000248243014 1119336838 /nfs/dbraw/zinc/33/68/38/1119336838.db2.gz IBJBSSOYBWJZKU-UHFFFAOYSA-N 0 3 268.335 3.719 20 30 CHEDHN CCCCC1CCC(NCc2nc(C#N)cs2)CC1 ZINC000562078900 1119416608 /nfs/dbraw/zinc/41/66/08/1119416608.db2.gz CZHPVYXYSOYSSH-UHFFFAOYSA-N 0 3 277.437 3.853 20 30 CHEDHN CC(C)(C#N)CCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000131251141 1119426454 /nfs/dbraw/zinc/42/64/54/1119426454.db2.gz ONBLAGBESDYPPS-QGZVFWFLSA-N 0 3 286.419 3.607 20 30 CHEDHN CCOC(=O)C1(N(C)CCCC(C)(C)C#N)CCCCC1 ZINC000151226673 1119440470 /nfs/dbraw/zinc/44/04/70/1119440470.db2.gz MMBFWDMQMFYZOD-UHFFFAOYSA-N 0 3 294.439 3.514 20 30 CHEDHN C#Cc1cccc(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000926549114 1119463837 /nfs/dbraw/zinc/46/38/37/1119463837.db2.gz CXMVVCXIJWMTFP-IBGZPJMESA-N 0 3 276.383 3.694 20 30 CHEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000250910947 1119554221 /nfs/dbraw/zinc/55/42/21/1119554221.db2.gz XPJUEDMOBIDFJA-GJZGRUSLSA-N 0 3 272.367 3.709 20 30 CHEDHN C[C@H](NCc1ccc2c(c1)CCC2)c1ccc(C#N)cc1 ZINC000070498528 1119591526 /nfs/dbraw/zinc/59/15/26/1119591526.db2.gz BEYSIMSLNHNJFZ-AWEZNQCLSA-N 0 3 276.383 3.898 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cscn1 ZINC000658060768 1119673823 /nfs/dbraw/zinc/67/38/23/1119673823.db2.gz QEMOQXRPVKWUHI-XQQFMLRXSA-N 0 3 250.411 3.929 20 30 CHEDHN CCCCCCCCC[C@H](C)OC[C@@H]1CNCCO1 ZINC001217897722 1119739384 /nfs/dbraw/zinc/73/93/84/1119739384.db2.gz ZTIWBXFTQTYWPI-HOTGVXAUSA-N 0 3 271.445 3.521 20 30 CHEDHN Cc1cc(C)cc([C@@H]2CCN(Cc3ccnc(C#N)c3)C2)c1 ZINC000612174574 1119743337 /nfs/dbraw/zinc/74/33/37/1119743337.db2.gz ISRGZSDDQKTGAA-QGZVFWFLSA-N 0 3 291.398 3.560 20 30 CHEDHN N#Cc1c(F)cc(CN2CCC[C@@H]3CCCC[C@H]32)cc1F ZINC001140754952 1119810743 /nfs/dbraw/zinc/81/07/43/1119810743.db2.gz PVMCJJUUDTYJAC-SUMWQHHRSA-N 0 3 290.357 3.991 20 30 CHEDHN C=CCOCCCN[C@@H](CCC)c1ncccc1Cl ZINC000926702476 1119828946 /nfs/dbraw/zinc/82/89/46/1119828946.db2.gz HPFRDAAPXGYQIM-AWEZNQCLSA-N 0 3 282.815 3.759 20 30 CHEDHN C=CC[C@H](CC)N[C@@H](C)c1ncc(Br)s1 ZINC000281688647 1119858258 /nfs/dbraw/zinc/85/82/58/1119858258.db2.gz RXMMHXWBKKSIDN-IUCAKERBSA-N 0 3 289.242 3.911 20 30 CHEDHN C[C@@H]1CCN(Cc2ccnc(C#N)c2)CC12CCCCC2 ZINC000613188785 1119882290 /nfs/dbraw/zinc/88/22/90/1119882290.db2.gz CIKKJMFYQHQRQY-OAHLLOKOSA-N 0 3 283.419 3.746 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000582340337 1119914841 /nfs/dbraw/zinc/91/48/41/1119914841.db2.gz WZTAVIZVORXUOG-ZDUSSCGKSA-N 0 3 296.418 3.772 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(Cl)s1 ZINC000414160144 1119920389 /nfs/dbraw/zinc/92/03/89/1119920389.db2.gz CPVXJEGWUZGFIO-VIFPVBQESA-N 0 3 256.802 3.992 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1ccccc1Cl ZINC000414166329 1119923851 /nfs/dbraw/zinc/92/38/51/1119923851.db2.gz NIJXEBARJPRKJH-NSHDSACASA-N 0 3 250.773 3.930 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1cnn(Cc2ccccc2)c1 ZINC000414167102 1119923880 /nfs/dbraw/zinc/92/38/80/1119923880.db2.gz OOKPOWNTZMTDGJ-OAHLLOKOSA-N 0 3 296.418 3.522 20 30 CHEDHN COc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)CCS2 ZINC000414169736 1119925287 /nfs/dbraw/zinc/92/52/87/1119925287.db2.gz RZMBAUFXVWWXIU-AWEZNQCLSA-N 0 3 290.432 3.762 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(C)on1 ZINC000414297894 1119971025 /nfs/dbraw/zinc/97/10/25/1119971025.db2.gz HUGGJDCGGWXJQE-GOEBONIOSA-N 0 3 270.376 3.821 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(C)on1 ZINC000414297898 1119971523 /nfs/dbraw/zinc/97/15/23/1119971523.db2.gz HUGGJDCGGWXJQE-ZBFHGGJFSA-N 0 3 270.376 3.821 20 30 CHEDHN C[C@@H](NCc1ccc(Cl)cc1C#N)C(C)(C)C ZINC000187256269 1120015680 /nfs/dbraw/zinc/01/56/80/1120015680.db2.gz BYMTXFOIRHRRKV-SNVBAGLBSA-N 0 3 250.773 3.736 20 30 CHEDHN CC(C)(C#N)CN[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000613540421 1120016263 /nfs/dbraw/zinc/01/62/63/1120016263.db2.gz WATNDBASNHIPGH-LSDHHAIUSA-N 0 3 260.356 3.601 20 30 CHEDHN C[C@]1(C#N)CCCN(CC2CCC(C(F)(F)F)CC2)C1 ZINC000613540369 1120020260 /nfs/dbraw/zinc/02/02/60/1120020260.db2.gz OVDFHGKITJGXLI-JXQTWKCFSA-N 0 3 288.357 3.981 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)cc2C)cc1F ZINC000186318192 1120024300 /nfs/dbraw/zinc/02/43/00/1120024300.db2.gz PIKLUCQCCPTKOB-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN Cc1ccc([C@@H](C)NCC2(C#N)CCCC2)c(O)c1C ZINC000903109276 1120070249 /nfs/dbraw/zinc/07/02/49/1120070249.db2.gz MBSLQVLQNLZMNA-CQSZACIVSA-N 0 3 272.392 3.744 20 30 CHEDHN C=CCSCCN[C@@H](C)c1cc(F)ccc1F ZINC000180457929 1120099136 /nfs/dbraw/zinc/09/91/36/1120099136.db2.gz QTJDQPJUXVHEDF-JTQLQIEISA-N 0 3 257.349 3.535 20 30 CHEDHN C=CCCOCCNC(c1ccccc1)c1ccccc1 ZINC000181025510 1120101350 /nfs/dbraw/zinc/10/13/50/1120101350.db2.gz QSFQYWONFDYAJI-UHFFFAOYSA-N 0 3 281.399 3.958 20 30 CHEDHN CC1(C)CCC(C)(CNCc2nc(C#N)cs2)CC1 ZINC000414499851 1120106187 /nfs/dbraw/zinc/10/61/87/1120106187.db2.gz CVDFBRSWJUCKJT-UHFFFAOYSA-N 0 3 277.437 3.711 20 30 CHEDHN CN1CC[C@@H](Nc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000302835569 1120164035 /nfs/dbraw/zinc/16/40/35/1120164035.db2.gz VPMCDASBGKJGHV-MSOLQXFVSA-N 0 3 295.361 3.555 20 30 CHEDHN C=CCOCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000314291387 1120183197 /nfs/dbraw/zinc/18/31/97/1120183197.db2.gz XJOYFODDCJUBKW-SFHVURJKSA-N 0 3 285.362 3.707 20 30 CHEDHN C=CC[C@@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccncc1 ZINC000921748644 1120196133 /nfs/dbraw/zinc/19/61/33/1120196133.db2.gz YZPWKHXHBWCRQW-RDTXWAMCSA-N 0 3 294.398 3.812 20 30 CHEDHN C[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000136258284 1120222745 /nfs/dbraw/zinc/22/27/45/1120222745.db2.gz YBMROLUZMKJAJC-CYBMUJFWSA-N 0 3 281.321 3.789 20 30 CHEDHN C[C@H]1CCC[C@@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000341224764 1120246878 /nfs/dbraw/zinc/24/68/78/1120246878.db2.gz PSAONJQXZGJKCU-GOEBONIOSA-N 0 3 281.403 3.821 20 30 CHEDHN C=CCC[C@@H](NCc1c2c(nn1C)CCC2)c1ccccc1 ZINC000921917534 1120280798 /nfs/dbraw/zinc/28/07/98/1120280798.db2.gz MIFOIPACPOLPBY-QGZVFWFLSA-N 0 3 295.430 3.706 20 30 CHEDHN C#CCCCCN[C@@H](CCC)c1ncccc1Cl ZINC000925529468 1120299566 /nfs/dbraw/zinc/29/95/66/1120299566.db2.gz YHPNBYIDQVPHQR-AWEZNQCLSA-N 0 3 264.800 3.969 20 30 CHEDHN Cc1cscc1CNCc1c(C)cc(C#N)cc1C ZINC000922066932 1120354126 /nfs/dbraw/zinc/35/41/26/1120354126.db2.gz FOUROIGCXYXZAI-UHFFFAOYSA-N 0 3 270.401 3.835 20 30 CHEDHN CC#CCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511612821 1120416975 /nfs/dbraw/zinc/41/69/75/1120416975.db2.gz WDMWVBZJGOOGCH-CQSZACIVSA-N 0 3 283.293 3.649 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CCC#N)c1ccccc1 ZINC000925602252 1120442794 /nfs/dbraw/zinc/44/27/94/1120442794.db2.gz SNDKTSCQDHLZAT-ZBFHGGJFSA-N 0 3 269.392 3.949 20 30 CHEDHN CCCCCCCCC[NH2+]Cc1nc(C)ccc1[O-] ZINC000728775183 1120446762 /nfs/dbraw/zinc/44/67/62/1120446762.db2.gz VHKNXWPDDVTQEE-UHFFFAOYSA-N 0 3 264.413 3.936 20 30 CHEDHN COc1ccccc1[C@H](C)N[C@H](C)CC(C)(C)C#N ZINC000695815043 1120503906 /nfs/dbraw/zinc/50/39/06/1120503906.db2.gz JUXUEWRMDPPKTK-OLZOCXBDSA-N 0 3 260.381 3.674 20 30 CHEDHN CC[C@H](N[C@@H](CO)c1ccccc1C)c1ccc(C#N)cc1 ZINC000618571606 1128920758 /nfs/dbraw/zinc/92/07/58/1128920758.db2.gz XLMZSOSTAFLRFO-OALUTQOASA-N 0 3 294.398 3.641 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1ccccc1Cl ZINC000695859626 1120530780 /nfs/dbraw/zinc/53/07/80/1120530780.db2.gz OVHIRBHVUSXBAR-LLVKDONJSA-N 0 3 250.773 3.758 20 30 CHEDHN C=CCC[C@H](CCC)N[C@H](C)c1nnc2n1CCCCC2 ZINC000364450083 1120606757 /nfs/dbraw/zinc/60/67/57/1120606757.db2.gz TVOKOMWTPNNMNG-CABCVRRESA-N 0 3 290.455 3.790 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccsc1 ZINC000334281655 1120639123 /nfs/dbraw/zinc/63/91/23/1120639123.db2.gz HOFUAWKUVCBCDE-MRXNPFEDSA-N 0 3 268.385 3.787 20 30 CHEDHN C=CC[C@H](N[C@@H]1CCc2ccc(OC)cc21)c1ccncc1 ZINC000766023015 1120666604 /nfs/dbraw/zinc/66/66/04/1120666604.db2.gz ZFQQYXMFPSUYFM-RBUKOAKNSA-N 0 3 294.398 3.985 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2Nc1ccnc2ccccc21 ZINC000618693684 1128933275 /nfs/dbraw/zinc/93/32/75/1128933275.db2.gz MTFLWHQAYRDRMU-GOSISDBHSA-N 0 3 285.350 3.628 20 30 CHEDHN CN(Cc1ccc(C#N)cc1Cl)CC1CCCC1 ZINC000162908097 1120695655 /nfs/dbraw/zinc/69/56/55/1120695655.db2.gz NFXCBLVHFJWNSO-UHFFFAOYSA-N 0 3 262.784 3.834 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)cc1 ZINC000618741985 1128935446 /nfs/dbraw/zinc/93/54/46/1128935446.db2.gz OEYUOPPFRISSLH-QGZVFWFLSA-N 0 3 282.774 3.989 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(-c2ccco2)no1 ZINC000661119998 1120721388 /nfs/dbraw/zinc/72/13/88/1120721388.db2.gz YOVSKVJNEUVZHE-CHWSQXEVSA-N 0 3 287.363 3.554 20 30 CHEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2cnccc2c1 ZINC000618808873 1128940857 /nfs/dbraw/zinc/94/08/57/1128940857.db2.gz BPOXJLBFRCYGRJ-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN C=CCC[C@@H](C)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000662049599 1120865133 /nfs/dbraw/zinc/86/51/33/1120865133.db2.gz AHZOZJTZQWMFDK-MFKMUULPSA-N 0 3 288.218 3.971 20 30 CHEDHN C=CCSCCNCc1csc(C(F)(F)F)c1 ZINC000598962267 1120869598 /nfs/dbraw/zinc/86/95/98/1120869598.db2.gz GAVMLLYLMBAVAT-UHFFFAOYSA-N 0 3 281.368 3.776 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000662078227 1120871773 /nfs/dbraw/zinc/87/17/73/1120871773.db2.gz CXSLEBQPQJWQFL-YESZJQIVSA-N 0 3 298.430 3.813 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccccc1C ZINC000662080744 1120871932 /nfs/dbraw/zinc/87/19/32/1120871932.db2.gz MBMCNRMKEYEGHC-HRCADAONSA-N 0 3 284.403 3.505 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000662082397 1120872574 /nfs/dbraw/zinc/87/25/74/1120872574.db2.gz ULCJGRRXLQMHQQ-BHYGNILZSA-N 0 3 284.403 3.505 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000893545939 1120893251 /nfs/dbraw/zinc/89/32/51/1120893251.db2.gz YDYGUZRYPGTKJW-IXPVHAAZSA-N 0 3 296.336 3.879 20 30 CHEDHN C[C@H](N[C@H]1CCCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000585726109 1121022826 /nfs/dbraw/zinc/02/28/26/1121022826.db2.gz UNJCRILAGXJUQR-DJJJIMSYSA-N 0 3 292.382 3.992 20 30 CHEDHN CN(Cc1cc(C#N)cs1)C(C)(C)c1ccccc1 ZINC000585767874 1121032670 /nfs/dbraw/zinc/03/26/70/1121032670.db2.gz TWPQVZIHFPXJTA-UHFFFAOYSA-N 0 3 270.401 3.987 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000625705045 1121066294 /nfs/dbraw/zinc/06/62/94/1121066294.db2.gz WTUPCCSEVBLJNW-CQSZACIVSA-N 0 3 268.360 3.740 20 30 CHEDHN C[C@H](NC[C@H]1COc2ccccc21)c1ccc(C#N)cc1F ZINC000344103506 1121084666 /nfs/dbraw/zinc/08/46/66/1121084666.db2.gz UIXAABNNIYYKGE-JSGCOSHPSA-N 0 3 296.345 3.524 20 30 CHEDHN CSc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccn1 ZINC000344115361 1121088625 /nfs/dbraw/zinc/08/86/25/1121088625.db2.gz XCDJYIFCOSSWGN-LBPRGKRZSA-N 0 3 283.400 3.526 20 30 CHEDHN Cc1cc(CN(C)Cc2ccccc2N(C)C)ccc1C#N ZINC000344134751 1121098582 /nfs/dbraw/zinc/09/85/82/1121098582.db2.gz ZJCDCXCKIIHGPG-UHFFFAOYSA-N 0 3 293.414 3.565 20 30 CHEDHN C=C(C)CN(CCC(C)(C)C)Cc1ccc(CO)o1 ZINC000512170259 1121134948 /nfs/dbraw/zinc/13/49/48/1121134948.db2.gz RGYCYXMLKZRXBZ-UHFFFAOYSA-N 0 3 265.397 3.586 20 30 CHEDHN CCS[C@@H]1CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC000112088014 1121196787 /nfs/dbraw/zinc/19/67/87/1121196787.db2.gz OXZRBYNRDRFXAL-OAHLLOKOSA-N 0 3 292.423 3.805 20 30 CHEDHN C=C(C)CN(CCC1CCCC1)Cc1ccc(CO)o1 ZINC000512203102 1121196939 /nfs/dbraw/zinc/19/69/39/1121196939.db2.gz NLEUTNILGRGAEI-UHFFFAOYSA-N 0 3 277.408 3.730 20 30 CHEDHN N#Cc1cccc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175504888 1121352205 /nfs/dbraw/zinc/35/22/05/1121352205.db2.gz IXEOXRBGJZBYPX-UHFFFAOYSA-N 0 3 289.382 3.760 20 30 CHEDHN C#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1 ZINC001175506541 1121353748 /nfs/dbraw/zinc/35/37/48/1121353748.db2.gz FQDHYADTXRUZTL-UHFFFAOYSA-N 0 3 288.394 3.870 20 30 CHEDHN C=CCCCCCN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001175511454 1121354892 /nfs/dbraw/zinc/35/48/92/1121354892.db2.gz ALFHCNDFLDXNCN-QGZVFWFLSA-N 0 3 285.435 3.612 20 30 CHEDHN C[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000638900541 1121367300 /nfs/dbraw/zinc/36/73/00/1121367300.db2.gz QISSRDKKYZKWQH-BXUZGUMPSA-N 0 3 299.361 3.541 20 30 CHEDHN N#CCCCCNCc1csc(-c2ccc(F)cc2)n1 ZINC000237782873 1121387577 /nfs/dbraw/zinc/38/75/77/1121387577.db2.gz HKONZMIJKKEWSA-UHFFFAOYSA-N 0 3 289.379 3.733 20 30 CHEDHN CN1CCC=C(Nc2ccc(C3(C#N)CCCC3)cc2)C1 ZINC001175579862 1121394849 /nfs/dbraw/zinc/39/48/49/1121394849.db2.gz HKGOABVVGHLWKT-UHFFFAOYSA-N 0 3 281.403 3.653 20 30 CHEDHN CCCCCCCCN1CCN(C)c2ncccc2C1 ZINC001175623129 1121399179 /nfs/dbraw/zinc/39/91/79/1121399179.db2.gz XGZDKJCHRQVKAZ-UHFFFAOYSA-N 0 3 275.440 3.694 20 30 CHEDHN C=CCCC(C)(C)NCc1ccncc1Br ZINC000631178903 1128989843 /nfs/dbraw/zinc/98/98/43/1128989843.db2.gz OWCBEFJGVIZAPI-UHFFFAOYSA-N 0 3 283.213 3.679 20 30 CHEDHN C[C@@H](CC(C)(C)c1ccccc1)NCc1nc(C#N)cs1 ZINC000573491244 1121474931 /nfs/dbraw/zinc/47/49/31/1121474931.db2.gz YRFZZNJQAHBQBN-ZDUSSCGKSA-N 0 3 299.443 3.861 20 30 CHEDHN CCCC[C@H](COC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512636325 1121503084 /nfs/dbraw/zinc/50/30/84/1121503084.db2.gz LCEXOJKZMBHIIX-GXTWGEPZSA-N 0 3 278.371 3.553 20 30 CHEDHN C#CCC1(NCc2csc(C3CC3)n2)CCCCC1 ZINC000922981291 1121504432 /nfs/dbraw/zinc/50/44/32/1121504432.db2.gz LPGLTHDNOOOFHK-UHFFFAOYSA-N 0 3 274.433 3.836 20 30 CHEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1cccnc1 ZINC000614179158 1121505683 /nfs/dbraw/zinc/50/56/83/1121505683.db2.gz GBTKFKDTXXJQOU-CQSZACIVSA-N 0 3 279.387 3.734 20 30 CHEDHN COc1ccc(CN(C)Cc2cc(C)ccc2C)cc1C#N ZINC000429295612 1121514458 /nfs/dbraw/zinc/51/44/58/1121514458.db2.gz VDJICAIYUPQIPB-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN CC(C)c1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001204167385 1121532873 /nfs/dbraw/zinc/53/28/73/1121532873.db2.gz MQIIQDWOVWHHPL-MRXNPFEDSA-N 0 3 287.428 3.584 20 30 CHEDHN CC(C)c1ccc(CN2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001204167385 1121532879 /nfs/dbraw/zinc/53/28/79/1121532879.db2.gz MQIIQDWOVWHHPL-MRXNPFEDSA-N 0 3 287.428 3.584 20 30 CHEDHN C#CCN(C[C@@H]1CC[C@@H](C)O1)[C@H]1CCCc2ccccc21 ZINC001176454042 1121633326 /nfs/dbraw/zinc/63/33/26/1121633326.db2.gz YJZLLHWLUXKEBY-AYBZRNKSSA-N 0 3 283.415 3.567 20 30 CHEDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCC(C)(C)C#N ZINC000611553997 1121655201 /nfs/dbraw/zinc/65/52/01/1121655201.db2.gz AOTVFDKQSOBGAX-WDEREUQCSA-N 0 3 262.319 3.589 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000397632490 1121691179 /nfs/dbraw/zinc/69/11/79/1121691179.db2.gz VYHHDODQVFOAPF-LBPRGKRZSA-N 0 3 298.308 3.711 20 30 CHEDHN C=CCSCCNCc1cscc1Br ZINC000336688068 1121695598 /nfs/dbraw/zinc/69/55/98/1121695598.db2.gz NGIXXYFPSDUNAB-UHFFFAOYSA-N 0 3 292.267 3.519 20 30 CHEDHN CC(C)COc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000067252193 1121705620 /nfs/dbraw/zinc/70/56/20/1121705620.db2.gz MFZAPXKENGWZQB-UHFFFAOYSA-N 0 3 294.398 3.883 20 30 CHEDHN CCc1ccc2c(c1)CN(Cc1ccc(C#N)cc1C)CC2 ZINC001177033486 1121707889 /nfs/dbraw/zinc/70/78/89/1121707889.db2.gz FUHUWVTXYFFRPU-UHFFFAOYSA-N 0 3 290.410 3.987 20 30 CHEDHN COc1cccc(C2(NCc3ccc(C#N)cc3C)CC2)c1 ZINC000614407210 1121713214 /nfs/dbraw/zinc/71/32/14/1121713214.db2.gz HYDQDALQDPGCNB-UHFFFAOYSA-N 0 3 292.382 3.654 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000614407774 1121713349 /nfs/dbraw/zinc/71/33/49/1121713349.db2.gz ZEMCMDPZFQYHFM-AWEZNQCLSA-N 0 3 275.355 3.589 20 30 CHEDHN C[C@H](c1ccco1)N(CCOc1ccc(C#N)cc1)C1CC1 ZINC000086235786 1121725869 /nfs/dbraw/zinc/72/58/69/1121725869.db2.gz GKLRMIYCXFPTKX-CQSZACIVSA-N 0 3 296.370 3.756 20 30 CHEDHN C=C(Br)CN(CC1CC1)C1CCCCC1 ZINC000727930801 1121755944 /nfs/dbraw/zinc/75/59/44/1121755944.db2.gz AFJXFTJPXJBMIQ-UHFFFAOYSA-N 0 3 272.230 3.940 20 30 CHEDHN C=C[C@H](C)NCc1cc2cc(Br)ccc2o1 ZINC001178165604 1121768185 /nfs/dbraw/zinc/76/81/85/1121768185.db2.gz AQLXWNLPQTUBFY-VIFPVBQESA-N 0 3 280.165 3.859 20 30 CHEDHN C=CC[C@H](C)NCc1cscc1Br ZINC000286515027 1121769107 /nfs/dbraw/zinc/76/91/07/1121769107.db2.gz MXPBODFAGGKRBR-QMMMGPOBSA-N 0 3 260.200 3.565 20 30 CHEDHN N#CCC1(CNCc2ccc(C(F)(F)F)s2)CC1 ZINC000430019540 1121826437 /nfs/dbraw/zinc/82/64/37/1121826437.db2.gz GCEWRPTVSFQLLB-UHFFFAOYSA-N 0 3 274.311 3.550 20 30 CHEDHN CCN(C)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000773815083 1121881557 /nfs/dbraw/zinc/88/15/57/1121881557.db2.gz YEIUYLCFLJKLCG-OAHLLOKOSA-N 0 3 293.414 3.865 20 30 CHEDHN Cc1cc(F)cc(C)c1CN1CCC[C@@H](C#N)CC1 ZINC001237321150 1129018491 /nfs/dbraw/zinc/01/84/91/1129018491.db2.gz JJVYBXLTZLRJIS-CQSZACIVSA-N 0 3 260.356 3.568 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H]2CCC2CCCC2)n1 ZINC001179924885 1121924136 /nfs/dbraw/zinc/92/41/36/1121924136.db2.gz LBMHLBMEOPPUHR-GOSISDBHSA-N 0 3 283.419 3.888 20 30 CHEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC#Cc1ccccc1 ZINC001179919901 1121932751 /nfs/dbraw/zinc/93/27/51/1121932751.db2.gz QFMNAIVSEZFKTN-ZWKOTPCHSA-N 0 3 285.431 3.564 20 30 CHEDHN N#CC1(CN2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000501542328 1121985853 /nfs/dbraw/zinc/98/58/53/1121985853.db2.gz UPZGMEOEGQKMTG-QGZVFWFLSA-N 0 3 268.404 3.777 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccsc1 ZINC000618802988 1122000377 /nfs/dbraw/zinc/00/03/77/1122000377.db2.gz GKGLWZKKSAENCD-BDJLRTHQSA-N 0 3 268.385 3.958 20 30 CHEDHN C=CCCCN(C)Cc1csc(Br)c1 ZINC000404174952 1129025427 /nfs/dbraw/zinc/02/54/27/1129025427.db2.gz GODBAXGOFTXQLO-UHFFFAOYSA-N 0 3 274.227 3.909 20 30 CHEDHN CC1(C)[C@@H](c2ccccc2)CCN1CC1(C#N)CC1 ZINC000421028222 1122061024 /nfs/dbraw/zinc/06/10/24/1122061024.db2.gz WHZGPEAVZCIACC-OAHLLOKOSA-N 0 3 254.377 3.558 20 30 CHEDHN N#CCC1(CNCc2cnc(-c3ccsc3)s2)CC1 ZINC000430046652 1122098222 /nfs/dbraw/zinc/09/82/22/1122098222.db2.gz ONUOVAUHFSSOQL-UHFFFAOYSA-N 0 3 289.429 3.655 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)NCc1ccn(C(F)F)n1 ZINC000414541062 1122147611 /nfs/dbraw/zinc/14/76/11/1122147611.db2.gz VUPDJTMNPDOIFQ-CQSZACIVSA-N 0 3 291.345 3.555 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccn(C(F)F)n1 ZINC000414541061 1122148264 /nfs/dbraw/zinc/14/82/64/1122148264.db2.gz VUPDJTMNPDOIFQ-AWEZNQCLSA-N 0 3 291.345 3.555 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000035046131 1122157189 /nfs/dbraw/zinc/15/71/89/1122157189.db2.gz CJOGBHRAWIRWBQ-MRXNPFEDSA-N 0 3 280.396 3.885 20 30 CHEDHN N#CCCCN[C@@H](COc1ccccc1)c1ccccc1 ZINC000271761058 1122174057 /nfs/dbraw/zinc/17/40/57/1122174057.db2.gz ZNKQEIGETXVEAL-SFHVURJKSA-N 0 3 280.371 3.700 20 30 CHEDHN C=C(C)COc1ccccc1CN1CC[C@]2(CC2(F)F)C1 ZINC001138665214 1129041029 /nfs/dbraw/zinc/04/10/29/1129041029.db2.gz IJZVLYAGIGHDPD-INIZCTEOSA-N 0 3 293.357 3.873 20 30 CHEDHN C=CC[C@@H](NCc1ccc(C)c(OC)c1)c1ccncc1 ZINC000774990398 1122381370 /nfs/dbraw/zinc/38/13/70/1122381370.db2.gz TVILAMZWWUVTMB-QGZVFWFLSA-N 0 3 282.387 3.806 20 30 CHEDHN C=CCOc1cccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000430096286 1122402964 /nfs/dbraw/zinc/40/29/64/1122402964.db2.gz OXRZCHFUDVOROJ-CVEARBPZSA-N 0 3 293.357 3.729 20 30 CHEDHN C#C[C@H](C)N(C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000775179826 1122467376 /nfs/dbraw/zinc/46/73/76/1122467376.db2.gz SDXAFOSKFXBPJD-HNNXBMFYSA-N 0 3 279.383 3.816 20 30 CHEDHN C#C[C@H](C)N(C)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000775184022 1122471690 /nfs/dbraw/zinc/47/16/90/1122471690.db2.gz SOBYFLWWHRDNAB-HNNXBMFYSA-N 0 3 280.371 3.636 20 30 CHEDHN CCCc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000775306539 1122511902 /nfs/dbraw/zinc/51/19/02/1122511902.db2.gz NDZQXOUBOGOAHQ-UHFFFAOYSA-N 0 3 264.372 3.801 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCC1CCCC1 ZINC000425531247 1122543095 /nfs/dbraw/zinc/54/30/95/1122543095.db2.gz HEIMPNJXXWURIM-HNNXBMFYSA-N 0 3 286.419 3.758 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)c1ccccc1 ZINC000425533414 1122544408 /nfs/dbraw/zinc/54/44/08/1122544408.db2.gz KTKBFYJWZXTNLJ-HNNXBMFYSA-N 0 3 292.382 3.824 20 30 CHEDHN C#CCN(CCCC(C)(F)F)Cc1ccc(F)cc1 ZINC001190708892 1122551962 /nfs/dbraw/zinc/55/19/62/1122551962.db2.gz YHVMUSRSQCOXTO-UHFFFAOYSA-N 0 3 269.310 3.696 20 30 CHEDHN C=CCCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001191029779 1122565418 /nfs/dbraw/zinc/56/54/18/1122565418.db2.gz JHDZTIVGHGSDFO-HUUCEWRRSA-N 0 3 296.455 3.672 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(OCC(F)F)cc1 ZINC000505903424 1122598225 /nfs/dbraw/zinc/59/82/25/1122598225.db2.gz QXVBNTNQJCKYPY-UHFFFAOYSA-N 0 3 267.319 3.505 20 30 CHEDHN C=C(C)CN(CC)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000505913036 1122600269 /nfs/dbraw/zinc/60/02/69/1122600269.db2.gz QOQXKFUFWUQZSZ-UHFFFAOYSA-N 0 3 297.446 3.946 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)COC2 ZINC000516569402 1122612578 /nfs/dbraw/zinc/61/25/78/1122612578.db2.gz KRJZRQZMZGCOFZ-CQSZACIVSA-N 0 3 292.382 3.634 20 30 CHEDHN CN(Cc1ccc(C#N)cc1OC(F)F)CC(C)(C)C ZINC000437147823 1122616650 /nfs/dbraw/zinc/61/66/50/1122616650.db2.gz VGIMENJXVDWHPE-UHFFFAOYSA-N 0 3 282.334 3.638 20 30 CHEDHN C=CCOc1ccccc1CN1CCC[C@@H]1c1cccn1C ZINC000506022018 1122627281 /nfs/dbraw/zinc/62/72/81/1122627281.db2.gz OJMQJQUYTSMSSX-GOSISDBHSA-N 0 3 296.414 3.927 20 30 CHEDHN CCN(CCC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437586165 1122645107 /nfs/dbraw/zinc/64/51/07/1122645107.db2.gz XRKPIYXFYBHGDX-IAGOWNOFSA-N 0 3 256.393 3.732 20 30 CHEDHN C=CCN(Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC1 ZINC001192516352 1122650212 /nfs/dbraw/zinc/65/02/12/1122650212.db2.gz WUZFVWOEAQSCMO-UHFFFAOYSA-N 0 3 287.403 3.792 20 30 CHEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC001192661920 1122655582 /nfs/dbraw/zinc/65/55/82/1122655582.db2.gz HLAMTLAUCDSPOP-LSDHHAIUSA-N 0 3 289.419 3.937 20 30 CHEDHN CCc1cccc(OCCN(C)Cc2cccc(C#N)c2)c1 ZINC000506135145 1122657631 /nfs/dbraw/zinc/65/76/31/1122657631.db2.gz KQGMENMNYMBDSC-UHFFFAOYSA-N 0 3 294.398 3.631 20 30 CHEDHN C#C[C@H](N[C@H](C)c1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000775574494 1122676590 /nfs/dbraw/zinc/67/65/90/1122676590.db2.gz PRLFITMPJNTUOI-MDASCCDHSA-N 0 3 279.383 3.671 20 30 CHEDHN CC1(C)CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001193430441 1122691661 /nfs/dbraw/zinc/69/16/61/1122691661.db2.gz JIOQDVRQLKCETH-UHFFFAOYSA-N 0 3 261.796 3.814 20 30 CHEDHN CCCCCCCCCCN1CCC[C@]12CCOC2=O ZINC001193627242 1122702421 /nfs/dbraw/zinc/70/24/21/1122702421.db2.gz YULUIESRGDMQMI-QGZVFWFLSA-N 0 3 281.440 3.909 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C(C)(C)C1 ZINC000437817335 1122705755 /nfs/dbraw/zinc/70/57/55/1122705755.db2.gz BUCIEJHGGUHSOP-NSHDSACASA-N 0 3 294.345 3.780 20 30 CHEDHN C=CCC[C@@H](NCc1cccc(C(N)=O)c1)c1ccccc1 ZINC000158810442 1122717461 /nfs/dbraw/zinc/71/74/61/1122717461.db2.gz HTNYYTICWVJLOV-GOSISDBHSA-N 0 3 294.398 3.583 20 30 CHEDHN C=CC[C@H]1N([C@@H](C)C(=O)OCCCC)CCCC1(C)C ZINC001193921130 1122729367 /nfs/dbraw/zinc/72/93/67/1122729367.db2.gz UPHIKGULFHDRBY-LSDHHAIUSA-N 0 3 281.440 3.785 20 30 CHEDHN C=C(C)CCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000775601520 1122748018 /nfs/dbraw/zinc/74/80/18/1122748018.db2.gz CRDFTYFOLOOWCU-VYDXJSESSA-N 0 3 259.393 3.803 20 30 CHEDHN CC#CCN(Cc1cccs1)C1Cc2ccccc2C1 ZINC001194308019 1122764431 /nfs/dbraw/zinc/76/44/31/1122764431.db2.gz XAKSQMFBQDKYKJ-UHFFFAOYSA-N 0 3 281.424 3.741 20 30 CHEDHN CCCCCCCCOC(=O)N(C)C1CCN(C)CC1 ZINC001194730357 1122793002 /nfs/dbraw/zinc/79/30/02/1122793002.db2.gz IYVHNONADHYEAR-UHFFFAOYSA-N 0 3 284.444 3.510 20 30 CHEDHN CC1(C)C(C(=O)C(C#N)c2nc3ccccc3o2)C1(C)C ZINC000080282263 1129081610 /nfs/dbraw/zinc/08/16/10/1129081610.db2.gz ZOMIMIAWNBGFRD-SNVBAGLBSA-N 0 3 282.343 3.686 20 30 CHEDHN N#CC(C(=O)C1CCCCCC1)c1nc2ccccc2[nH]1 ZINC000102115820 1122883032 /nfs/dbraw/zinc/88/30/32/1122883032.db2.gz PIODYJLXXFODTG-ZDUSSCGKSA-N 0 3 281.359 3.710 20 30 CHEDHN CC[C@@H]1COC(C)(C)CN1Cc1c(C)cc(C#N)cc1C ZINC001195863455 1122895336 /nfs/dbraw/zinc/89/53/36/1122895336.db2.gz TWIHITUBAMZYSB-MRXNPFEDSA-N 0 3 286.419 3.565 20 30 CHEDHN CC1CCN(CCSc2cccc(F)c2C#N)CC1 ZINC000519579928 1122907934 /nfs/dbraw/zinc/90/79/34/1122907934.db2.gz LGWRDBLBVHQKSP-UHFFFAOYSA-N 0 3 278.396 3.521 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2ccc(C)c(Br)c2)C1 ZINC001197701860 1122966377 /nfs/dbraw/zinc/96/63/77/1122966377.db2.gz PAYYZNKGQCQRST-CYBMUJFWSA-N 0 3 292.220 3.603 20 30 CHEDHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000775785142 1122968501 /nfs/dbraw/zinc/96/85/01/1122968501.db2.gz KADLTXXYHXWVPJ-SWLSCSKDSA-N 0 3 292.810 3.863 20 30 CHEDHN C#CCN(CCOC(C)(C)C)[C@@H]1CCCc2ccccc21 ZINC001198104787 1122982098 /nfs/dbraw/zinc/98/20/98/1122982098.db2.gz RUJPFNJNNDLABX-GOSISDBHSA-N 0 3 285.431 3.814 20 30 CHEDHN C=CC[C@@H]1CCN1CCOc1ccccc1C(F)(F)F ZINC001198489923 1122994284 /nfs/dbraw/zinc/99/42/84/1122994284.db2.gz GHYVFGHEKGTNEY-GFCCVEGCSA-N 0 3 285.309 3.735 20 30 CHEDHN CCC1CCC(N(C)Cc2ccccc2C#N)CC1 ZINC000049024133 1123110722 /nfs/dbraw/zinc/11/07/22/1123110722.db2.gz MJJYVNIMVKSTQZ-UHFFFAOYSA-N 0 3 256.393 3.959 20 30 CHEDHN Cc1oc(C(C)C)cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000330616117 1123122391 /nfs/dbraw/zinc/12/23/91/1123122391.db2.gz UVHBPKXKVNHUBV-AWEZNQCLSA-N 0 3 297.358 3.608 20 30 CHEDHN C=CCCCN1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000441449731 1123128718 /nfs/dbraw/zinc/12/87/18/1123128718.db2.gz OKSDCROYILQYKD-WBVHZDCISA-N 0 3 259.393 3.723 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(Br)cc1OC ZINC000190447346 1123149697 /nfs/dbraw/zinc/14/96/97/1123149697.db2.gz XOCGEENCYHXWKK-JTQLQIEISA-N 0 3 284.197 3.684 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1csc(C(C)C)n1 ZINC000280824026 1123181767 /nfs/dbraw/zinc/18/17/67/1123181767.db2.gz NSYVOEFKTCVQFV-YDHLFZDLSA-N 0 3 294.464 3.898 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@H](CC(F)(F)F)c2ccccc2)C1 ZINC000442714494 1123195110 /nfs/dbraw/zinc/19/51/10/1123195110.db2.gz LQKKXZKLOIRKDO-KWCYVHTRSA-N 0 3 282.309 3.962 20 30 CHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000850423931 1123265458 /nfs/dbraw/zinc/26/54/58/1123265458.db2.gz DHKVLCQRQOISDL-AWEZNQCLSA-N 0 3 292.382 3.734 20 30 CHEDHN CC(C)COc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442710686 1123335088 /nfs/dbraw/zinc/33/50/88/1123335088.db2.gz CWJXNBWGKSNIJD-HOCLYGCPSA-N 0 3 272.392 3.503 20 30 CHEDHN COc1cc(CN2CCC[C@@H]2c2ccccc2)ccc1C#N ZINC000442808638 1123340986 /nfs/dbraw/zinc/34/09/86/1123340986.db2.gz ICKXFFUVRUNOCY-GOSISDBHSA-N 0 3 292.382 3.904 20 30 CHEDHN N#C[C@H]1CC[C@H](N2CCC(c3cccc(F)c3F)CC2)C1 ZINC000335666000 1123390261 /nfs/dbraw/zinc/39/02/61/1123390261.db2.gz NBOHUYSXZZWQOS-JSGCOSHPSA-N 0 3 290.357 3.836 20 30 CHEDHN C=CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccncc1 ZINC000783512385 1123409122 /nfs/dbraw/zinc/40/91/22/1123409122.db2.gz BMVVEPVNSAZSGV-XJKSGUPXSA-N 0 3 268.360 3.755 20 30 CHEDHN C=CCN(Cc1cncc(C(F)(F)F)c1)C(C)(C)C ZINC000852554399 1123409289 /nfs/dbraw/zinc/40/92/89/1123409289.db2.gz LLZBECOZJHUTRT-UHFFFAOYSA-N 0 3 272.314 3.887 20 30 CHEDHN C=C(C)C[N@@H+](CC)Cc1cc(Br)c(C)cc1[O-] ZINC001237682898 1129128398 /nfs/dbraw/zinc/12/83/98/1129128398.db2.gz UQGPLQCWQKPDHO-UHFFFAOYSA-N 0 3 298.224 3.861 20 30 CHEDHN C=C(C)C[N@H+](CC)Cc1cc(Br)c(C)cc1[O-] ZINC001237682898 1129128400 /nfs/dbraw/zinc/12/84/00/1129128400.db2.gz UQGPLQCWQKPDHO-UHFFFAOYSA-N 0 3 298.224 3.861 20 30 CHEDHN C#CCN(Cc1cncc(Cl)c1)C1CCCCC1 ZINC000856722747 1123565641 /nfs/dbraw/zinc/56/56/41/1123565641.db2.gz YZHUVDUYCVELPN-UHFFFAOYSA-N 0 3 262.784 3.503 20 30 CHEDHN COc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000346088815 1123663445 /nfs/dbraw/zinc/66/34/45/1123663445.db2.gz VOLDGWWPCWCULO-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1ccccc1[O-] ZINC000859232605 1123691987 /nfs/dbraw/zinc/69/19/87/1123691987.db2.gz NHJWQLZOCCRPCC-KRWDZBQOSA-N 0 3 280.371 3.813 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000859444296 1123698095 /nfs/dbraw/zinc/69/80/95/1123698095.db2.gz JJBHJNXLHBPUJT-CYBMUJFWSA-N 0 3 290.794 3.640 20 30 CHEDHN CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(C)cc1[O-] ZINC000840787757 1123801950 /nfs/dbraw/zinc/80/19/50/1123801950.db2.gz PIGPGMUJRZUXKF-CQSZACIVSA-N 0 3 260.381 3.681 20 30 CHEDHN C=CCOc1ccc(CNCc2cc(C)cs2)cc1 ZINC000379276984 1123817438 /nfs/dbraw/zinc/81/74/38/1123817438.db2.gz PBQKOPMBBLURBM-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)[C@H](C)c1cccc(O)c1 ZINC000186292170 1123831835 /nfs/dbraw/zinc/83/18/35/1123831835.db2.gz XCLRHRPHQRNHFE-CQSZACIVSA-N 0 3 280.371 3.765 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(OCC#N)cc1 ZINC000192955783 1123868551 /nfs/dbraw/zinc/86/85/51/1123868551.db2.gz WWFDKLUPKHUWLX-CXAGYDPISA-N 0 3 296.370 3.910 20 30 CHEDHN CSCCON=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000794573743 1123904502 /nfs/dbraw/zinc/90/45/02/1123904502.db2.gz IMEYTTUQFJNIOR-CZDHHNPESA-N 0 3 290.432 3.663 20 30 CHEDHN C=CCC1(NCc2nc(C(C)(C)C)cs2)CCOCC1 ZINC000865626324 1124001282 /nfs/dbraw/zinc/00/12/82/1124001282.db2.gz NIHJSMAXRJOEND-UHFFFAOYSA-N 0 3 294.464 3.656 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccc(C)c(F)c2)cc1C#N ZINC000120810317 1124025794 /nfs/dbraw/zinc/02/57/94/1124025794.db2.gz QLDUPEZLLFQNRR-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866313223 1124051171 /nfs/dbraw/zinc/05/11/71/1124051171.db2.gz XZGXLJWTYNIMRI-NSHDSACASA-N 0 3 294.782 3.725 20 30 CHEDHN CC(C)[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000444771983 1124062373 /nfs/dbraw/zinc/06/23/73/1124062373.db2.gz LPOOXTGWXWMUAN-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(OCC#N)cc1 ZINC000866449390 1124066471 /nfs/dbraw/zinc/06/64/71/1124066471.db2.gz AZZUIPJKOVUOAG-UHOFOFEASA-N 0 3 276.355 3.520 20 30 CHEDHN C=CCC[C@@H](CC)NCc1ncc(Br)s1 ZINC000866615358 1124089904 /nfs/dbraw/zinc/08/99/04/1124089904.db2.gz DIMPCOQRLHNGJQ-SECBINFHSA-N 0 3 289.242 3.740 20 30 CHEDHN N#Cc1ccc(F)c(CN2CCCC3(CCCC3)C2)c1 ZINC000445855694 1124103837 /nfs/dbraw/zinc/10/38/37/1124103837.db2.gz MMARSTMBJUXMDI-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN C=CCN(Cc1conc1CC)CC1CCCCC1 ZINC000508555333 1124108687 /nfs/dbraw/zinc/10/86/87/1124108687.db2.gz ZZRGCDMEFCGNFU-UHFFFAOYSA-N 0 3 262.397 3.805 20 30 CHEDHN CCc1cnccc1[C@H](C)NCc1c(C)cc(C#N)cc1C ZINC001119729915 1131262981 /nfs/dbraw/zinc/26/29/81/1131262981.db2.gz VPHQUDHGTREOIV-HNNXBMFYSA-N 0 3 293.414 3.983 20 30 CHEDHN CC[C@@H](NCc1ccnc(SC)c1)c1ccc(C#N)cc1 ZINC000447586228 1124493876 /nfs/dbraw/zinc/49/38/76/1124493876.db2.gz MWFCDMDRHLIYQL-MRXNPFEDSA-N 0 3 297.427 3.916 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1c1ccccc1 ZINC000448158566 1124566706 /nfs/dbraw/zinc/56/67/06/1124566706.db2.gz FPAPYPSRWHQWRE-SFHVURJKSA-N 0 3 292.382 3.904 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H](C)c1nnc2ccccn21 ZINC000449067452 1124641531 /nfs/dbraw/zinc/64/15/31/1124641531.db2.gz LMOIIWMJIGCZEA-UONOGXRCSA-N 0 3 272.396 3.515 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000449194458 1124663990 /nfs/dbraw/zinc/66/39/90/1124663990.db2.gz PDHMYQLVLLTRSP-LSDHHAIUSA-N 0 3 290.455 3.961 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040826 1124664671 /nfs/dbraw/zinc/66/46/71/1124664671.db2.gz CPGTXPBFKPNSCD-ZJUUUORDSA-N 0 3 266.366 3.542 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccco1 ZINC000872108410 1124685335 /nfs/dbraw/zinc/68/53/35/1124685335.db2.gz TZBUMFVBADDOLO-VGWMRTNUSA-N 0 3 275.392 3.834 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000872111594 1124686199 /nfs/dbraw/zinc/68/61/99/1124686199.db2.gz CJSODJLNDDPCQE-ZJUUUORDSA-N 0 3 256.802 3.631 20 30 CHEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C(C)(C)CC(C)(C)C ZINC001123233623 1131309004 /nfs/dbraw/zinc/30/90/04/1131309004.db2.gz LVPWGJKYNRRLMG-JTQLQIEISA-N 0 3 295.814 3.712 20 30 CHEDHN Cn1ccc2c1ccnc2/C=C/c1ccc(C#N)cc1 ZINC001239277861 1131309924 /nfs/dbraw/zinc/30/99/24/1131309924.db2.gz YVHRIWXWGHUCKN-VOTSOKGWSA-N 0 3 259.312 3.615 20 30 CHEDHN CC[C@@H](NCc1ccnc(C#N)c1)c1cc(C)ccc1C ZINC000528801422 1124806129 /nfs/dbraw/zinc/80/61/29/1124806129.db2.gz NLYCTWIPROBJNH-GOSISDBHSA-N 0 3 279.387 3.811 20 30 CHEDHN CC(C)(C)C1CC(C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001123476785 1131315687 /nfs/dbraw/zinc/31/56/87/1131315687.db2.gz OUEOCTSUGCPRDS-CBINBANVSA-N 0 3 292.329 3.608 20 30 CHEDHN CCc1ccc([C@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000124952682 1124827096 /nfs/dbraw/zinc/82/70/96/1124827096.db2.gz WJSYDNNJYNLNNQ-AWEZNQCLSA-N 0 3 294.398 3.980 20 30 CHEDHN CC1=C(C)C[C@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123382261 1131313509 /nfs/dbraw/zinc/31/35/09/1131313509.db2.gz QTAWMWPNEBONET-DGCLKSJQSA-N 0 3 290.313 3.673 20 30 CHEDHN C#CCCCCCCN[C@H](CC)c1nccs1 ZINC000877057003 1125003540 /nfs/dbraw/zinc/00/35/40/1125003540.db2.gz ZGJKWYHGNALCMC-CYBMUJFWSA-N 0 3 250.411 3.768 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)cnc2Cl)[C@@H]2CCCC[C@H]21 ZINC000877193969 1125018099 /nfs/dbraw/zinc/01/80/99/1125018099.db2.gz VWYVYUWSQOGGOR-BYCMXARLSA-N 0 3 289.810 3.617 20 30 CHEDHN C#CCCCCCC[NH2+][C@H](C)c1nnc([C@H](C)CC)[n-]1 ZINC000877474867 1125031203 /nfs/dbraw/zinc/03/12/03/1125031203.db2.gz ICZBBNQZRSFYGI-ZIAGYGMSSA-N 0 3 276.428 3.553 20 30 CHEDHN C#C[C@H](N[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000877541546 1125043046 /nfs/dbraw/zinc/04/30/46/1125043046.db2.gz PXZXLOSQFQDHFR-GJZGRUSLSA-N 0 3 277.795 3.562 20 30 CHEDHN C=CC[C@@H](C)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000878111368 1125120027 /nfs/dbraw/zinc/12/00/27/1125120027.db2.gz BSLFNWMSGCRBPA-MRVPVSSYSA-N 0 3 275.236 3.768 20 30 CHEDHN N#CC1(CN[C@@H]2CCCC[C@@H]2c2ccccc2)CCC1 ZINC000450754421 1125102160 /nfs/dbraw/zinc/10/21/60/1125102160.db2.gz CLUPDSUOMBMNRZ-IAGOWNOFSA-N 0 3 268.404 3.996 20 30 CHEDHN CC(=O)[C@@](C#N)(CCN1CCC(C)(C)CC1)c1ccccc1 ZINC000878038208 1125113881 /nfs/dbraw/zinc/11/38/81/1125113881.db2.gz CRVYXOSHLVZGDD-IBGZPJMESA-N 0 3 298.430 3.549 20 30 CHEDHN C=C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878086787 1125118600 /nfs/dbraw/zinc/11/86/00/1125118600.db2.gz BMYGGEHDHDKJSV-IRXDYDNUSA-N 0 3 257.377 3.559 20 30 CHEDHN CC(=O)[C@](C#N)(CCN(C)C1CC(C)(C)C1)c1ccccc1 ZINC000878704533 1125174127 /nfs/dbraw/zinc/17/41/27/1125174127.db2.gz WBLWSLSABPHPFO-LJQANCHMSA-N 0 3 298.430 3.547 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878886732 1125183197 /nfs/dbraw/zinc/18/31/97/1125183197.db2.gz OEPIXNNVKIPLFZ-UHOSZYNNSA-N 0 3 298.430 3.922 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878885806 1125183367 /nfs/dbraw/zinc/18/33/67/1125183367.db2.gz QTOXHRHSRBKDAG-KGLIPLIRSA-N 0 3 274.408 3.778 20 30 CHEDHN CCN(Cc1ccc(C)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000122351517 1125187900 /nfs/dbraw/zinc/18/79/00/1125187900.db2.gz NLTBIXPLIKLERJ-OAHLLOKOSA-N 0 3 279.387 3.845 20 30 CHEDHN C=CCN[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000532047862 1125231754 /nfs/dbraw/zinc/23/17/54/1125231754.db2.gz QQOTULDCZJZGOT-GOSISDBHSA-N 0 3 267.372 3.869 20 30 CHEDHN C=CCCC[C@H](NCc1cnc(C)nc1)c1ccccc1 ZINC000880389030 1125271804 /nfs/dbraw/zinc/27/18/04/1125271804.db2.gz PSSNSBYMCUDRKS-SFHVURJKSA-N 0 3 281.403 3.972 20 30 CHEDHN C[C@@H](Cc1ccc(Cl)cc1)NCc1ccccc1C#N ZINC001168152371 1125272212 /nfs/dbraw/zinc/27/22/12/1125272212.db2.gz RDIQVLQJONMDQD-ZDUSSCGKSA-N 0 3 284.790 3.932 20 30 CHEDHN C#CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000756997876 1125305686 /nfs/dbraw/zinc/30/56/86/1125305686.db2.gz PIIFKYBFGQBTGH-SFHVURJKSA-N 0 3 296.389 3.746 20 30 CHEDHN C=C(C)COCCNCc1ccc(-c2ccccc2F)o1 ZINC000532394887 1125312565 /nfs/dbraw/zinc/31/25/65/1125312565.db2.gz FCWLUAOQQBYKNU-UHFFFAOYSA-N 0 3 289.350 3.768 20 30 CHEDHN COc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1C ZINC000897417295 1125320435 /nfs/dbraw/zinc/32/04/35/1125320435.db2.gz IUBYLPHCCAPERF-GFCCVEGCSA-N 0 3 286.400 3.788 20 30 CHEDHN CSC[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000135436417 1125336812 /nfs/dbraw/zinc/33/68/12/1125336812.db2.gz XNUVMGATDAMKGO-HNNXBMFYSA-N 0 3 279.836 3.519 20 30 CHEDHN CC(C)(C#N)CN[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000168931322 1125355549 /nfs/dbraw/zinc/35/55/49/1125355549.db2.gz NENMSPDKJXZCTA-JKSUJKDBSA-N 0 3 256.393 3.852 20 30 CHEDHN CCC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000130719811 1125367418 /nfs/dbraw/zinc/36/74/18/1125367418.db2.gz ZCKYLECXVZFJCA-UHFFFAOYSA-N 0 3 280.371 3.676 20 30 CHEDHN CCC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000130719811 1125367421 /nfs/dbraw/zinc/36/74/21/1125367421.db2.gz ZCKYLECXVZFJCA-UHFFFAOYSA-N 0 3 280.371 3.676 20 30 CHEDHN C=CCC[C@@H](NCc1nc(C2CC2)cs1)[C@@H]1CCCO1 ZINC000883206134 1125377264 /nfs/dbraw/zinc/37/72/64/1125377264.db2.gz LEBPBFWKHMNBDO-HIFRSBDPSA-N 0 3 292.448 3.624 20 30 CHEDHN C=CCCC[C@H](NCc1c[nH]nc1C)c1ccccc1 ZINC000883204951 1125377467 /nfs/dbraw/zinc/37/74/67/1125377467.db2.gz LTMWBAHIHHSVKE-KRWDZBQOSA-N 0 3 269.392 3.905 20 30 CHEDHN C=CCCC[C@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000883326495 1125396862 /nfs/dbraw/zinc/39/68/62/1125396862.db2.gz CQYJONVECWNTNL-YOEHRIQHSA-N 0 3 297.402 3.930 20 30 CHEDHN C=CCCC[C@H](NCc1cncnc1)c1ccccc1 ZINC000883325205 1125396983 /nfs/dbraw/zinc/39/69/83/1125396983.db2.gz SCUQREHIBWUBSM-KRWDZBQOSA-N 0 3 267.376 3.664 20 30 CHEDHN C=CCCCCCC[C@H](O)CN[C@@H](C)c1ccoc1 ZINC001253251719 1125424343 /nfs/dbraw/zinc/42/43/43/1125424343.db2.gz NJVUAFPMJKWKPN-HOCLYGCPSA-N 0 3 265.397 3.818 20 30 CHEDHN C=C(C)COCCN[C@H](CC)c1ccc(F)cc1F ZINC000125717955 1125450729 /nfs/dbraw/zinc/45/07/29/1125450729.db2.gz GYSUJIUUHZIVEO-OAHLLOKOSA-N 0 3 269.335 3.598 20 30 CHEDHN Cc1nc2c(s1)[C@H](NCc1cc(C#N)cs1)CCC2 ZINC000779989497 1129180714 /nfs/dbraw/zinc/18/07/14/1129180714.db2.gz YMUBRLVVMPPURP-GFCCVEGCSA-N 0 3 289.429 3.552 20 30 CHEDHN CCCOc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000037997029 1129316599 /nfs/dbraw/zinc/31/65/99/1129316599.db2.gz VREZEWXCHOAVQA-UHFFFAOYSA-N 0 3 280.371 3.637 20 30 CHEDHN CCCCCCCNCc1nc2c(s1)CCC2 ZINC000719573400 1129344073 /nfs/dbraw/zinc/34/40/73/1129344073.db2.gz BWGYRJDTQGYQLY-UHFFFAOYSA-N 0 3 252.427 3.692 20 30 CHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)c1ccsc1 ZINC000739154737 1129401455 /nfs/dbraw/zinc/40/14/55/1129401455.db2.gz DHISFNKTGLSHNY-JQWIXIFHSA-N 0 3 296.351 3.869 20 30 CHEDHN N#Cc1ccc(CNCc2cc(Cl)cs2)cc1 ZINC000093094620 1129416625 /nfs/dbraw/zinc/41/66/25/1129416625.db2.gz DRDVIYZWMKRBHJ-UHFFFAOYSA-N 0 3 262.765 3.563 20 30 CHEDHN C=C(Cl)CN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000795800549 1129448891 /nfs/dbraw/zinc/44/88/91/1129448891.db2.gz FOMKOMNDEXMUFQ-SNVBAGLBSA-N 0 3 277.717 3.979 20 30 CHEDHN C#CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742382772 1129473321 /nfs/dbraw/zinc/47/33/21/1129473321.db2.gz JJLLRAFLXXUQLC-UHFFFAOYSA-N 0 3 265.356 3.562 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccncc2)c1 ZINC000743478373 1129526923 /nfs/dbraw/zinc/52/69/23/1129526923.db2.gz ZWPTWFDRYONLOL-WMLDXEAASA-N 0 3 295.386 3.613 20 30 CHEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N([C@H](C)CC)C2 ZINC001276346378 1129541249 /nfs/dbraw/zinc/54/12/49/1129541249.db2.gz TXOZIOJVUNIOEI-AEFFLSMTSA-N 0 3 292.467 3.598 20 30 CHEDHN C=CCC[C@@H](C)N[C@@H]1CCOc2cc(F)cc(F)c21 ZINC001258720884 1129551440 /nfs/dbraw/zinc/55/14/40/1129551440.db2.gz IEMOPYXWOBQQDB-ZWNOBZJWSA-N 0 3 267.319 3.733 20 30 CHEDHN C=CCCC[C@H](C)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647295961 1129565608 /nfs/dbraw/zinc/56/56/08/1129565608.db2.gz ZNHSLFARFAEUEE-KBPBESRZSA-N 0 3 261.413 3.615 20 30 CHEDHN C=CC[C@@H]1CC[C@H](NCc2csc([C@H](C)OC)n2)C1 ZINC000651727769 1129746063 /nfs/dbraw/zinc/74/60/63/1129746063.db2.gz AQSBISVXDNEULQ-XQQFMLRXSA-N 0 3 280.437 3.685 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651823001 1129750345 /nfs/dbraw/zinc/75/03/45/1129750345.db2.gz RQQBEJFOYYHLHV-RDBSUJKOSA-N 0 3 295.785 3.790 20 30 CHEDHN C=CCN(C)CCN(CC)[C@@H](CC)c1ccc(F)cc1F ZINC001169832345 1129757994 /nfs/dbraw/zinc/75/79/94/1129757994.db2.gz FWHLMHQXUHYGRX-KRWDZBQOSA-N 0 3 296.405 3.856 20 30 CHEDHN COc1ccc(CN2CCC3(C2)CCCCC3)c(C#N)c1 ZINC001137706678 1131405136 /nfs/dbraw/zinc/40/51/36/1131405136.db2.gz MAJIVTNJCSKFFZ-UHFFFAOYSA-N 0 3 284.403 3.723 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517191 1129923728 /nfs/dbraw/zinc/92/37/28/1129923728.db2.gz BAEKTCLPEMDLOE-UHFFFAOYSA-N 0 3 280.343 3.912 20 30 CHEDHN C#CCN[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000769897464 1129928581 /nfs/dbraw/zinc/92/85/81/1129928581.db2.gz JDWORHYSMOHJOV-OAHLLOKOSA-N 0 3 265.356 3.549 20 30 CHEDHN C#C[C@H](C)N(C)Cc1ccc(-c2ccsc2)cc1 ZINC000769977503 1129933768 /nfs/dbraw/zinc/93/37/68/1129933768.db2.gz GSTIKUVICKLTKX-ZDUSSCGKSA-N 0 3 255.386 3.869 20 30 CHEDHN CCCN(CCC)c1ccc(C=NN[C@@H](C)CC#N)cc1 ZINC000771881273 1129992543 /nfs/dbraw/zinc/99/25/43/1129992543.db2.gz RNGMJWSWNZYDAF-HNNXBMFYSA-N 0 3 286.423 3.539 20 30 CHEDHN CC[C@@H](N[C@@H]1CCc2c1cccc2O)c1cccc(C#N)c1 ZINC000902794718 1130059554 /nfs/dbraw/zinc/05/95/54/1130059554.db2.gz YLAMEEQVOOYQMH-QZTJIDSGSA-N 0 3 292.382 3.992 20 30 CHEDHN CC[C@@H](NCc1ccnc(SC)c1)c1cccc(C#N)c1 ZINC000902849094 1130069498 /nfs/dbraw/zinc/06/94/98/1130069498.db2.gz FZKOOKQPDWAIFJ-MRXNPFEDSA-N 0 3 297.427 3.916 20 30 CHEDHN CC[C@H](N[C@@H](C)c1ccc[nH]1)c1cccc(C#N)c1 ZINC000902889229 1130078763 /nfs/dbraw/zinc/07/87/63/1130078763.db2.gz FBIZCFLJPWNJLO-WFASDCNBSA-N 0 3 253.349 3.688 20 30 CHEDHN C[C@@H](NC1(Cc2ccc(F)cc2)CC1)c1cc(C#N)ccn1 ZINC000903009551 1130100352 /nfs/dbraw/zinc/10/03/52/1130100352.db2.gz BFINLQZLOHPJOK-CYBMUJFWSA-N 0 3 295.361 3.518 20 30 CHEDHN CC[C@H](NCc1cccnc1C)c1cccc(C#N)c1 ZINC000903070330 1130108063 /nfs/dbraw/zinc/10/80/63/1130108063.db2.gz UEMRUIGWKYVTOU-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN Cc1cc(C)c([C@@H](C)NCC2(C#N)CCCC2)c(O)c1 ZINC000903109909 1130115322 /nfs/dbraw/zinc/11/53/22/1130115322.db2.gz XBCQZOLODIAPQX-CQSZACIVSA-N 0 3 272.392 3.744 20 30 CHEDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c([O-])c1 ZINC000787024609 1130125847 /nfs/dbraw/zinc/12/58/47/1130125847.db2.gz BZESUEQTWSDESL-FZKQIMNGSA-N 0 3 292.382 3.910 20 30 CHEDHN C[C@@H](CCC#N)C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000787770235 1130163493 /nfs/dbraw/zinc/16/34/93/1130163493.db2.gz PDFQZVMZRNCREY-HNNXBMFYSA-N 0 3 298.386 3.927 20 30 CHEDHN C[C@@H](CCC#N)C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000787770235 1130163495 /nfs/dbraw/zinc/16/34/95/1130163495.db2.gz PDFQZVMZRNCREY-HNNXBMFYSA-N 0 3 298.386 3.927 20 30 CHEDHN C#CCN(Cc1ccccc1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001170094515 1130223977 /nfs/dbraw/zinc/22/39/77/1130223977.db2.gz IFQUKEFNWMYSIB-RTBURBONSA-N 0 3 279.358 3.817 20 30 CHEDHN Cc1ccc(C2=CCCN(Cc3ccccc3)C2)nc1C#N ZINC001240384379 1130285285 /nfs/dbraw/zinc/28/52/85/1130285285.db2.gz LUYGFAPQZYRTAM-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cnc2ccccc2c1 ZINC001137282554 1130288147 /nfs/dbraw/zinc/28/81/47/1130288147.db2.gz ADELMYYHIGBTFX-FFGGFLGDSA-N 0 3 277.371 3.501 20 30 CHEDHN C=C(CNCc1cc(F)cc(F)c1)c1ccccc1 ZINC000677319967 1130301305 /nfs/dbraw/zinc/30/13/05/1130301305.db2.gz JALAMWNIYRSIDQ-UHFFFAOYSA-N 0 3 259.299 3.768 20 30 CHEDHN C=C[C@@H](COC)N[C@H](C)c1ccc2ccccc2c1 ZINC001255018481 1130360987 /nfs/dbraw/zinc/36/09/87/1130360987.db2.gz GBNPTYVBTKLBBI-DYVFJYSZSA-N 0 3 255.361 3.691 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1ccccc1F ZINC000791566623 1130385536 /nfs/dbraw/zinc/38/55/36/1130385536.db2.gz BHVXZFIKNGKPKT-LJQANCHMSA-N 0 3 299.389 3.937 20 30 CHEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000678765224 1130450808 /nfs/dbraw/zinc/45/08/08/1130450808.db2.gz GZIQVISQYOYAOE-CZUORRHYSA-N 0 3 279.449 3.775 20 30 CHEDHN C[C@H](Cc1ccccc1Cl)NCC1(C#N)CCC1 ZINC001170247719 1130472755 /nfs/dbraw/zinc/47/27/55/1130472755.db2.gz LLNWAUYBDMAUFV-GFCCVEGCSA-N 0 3 262.784 3.554 20 30 CHEDHN C=CCOCCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000679486089 1130532648 /nfs/dbraw/zinc/53/26/48/1130532648.db2.gz AEOURFKYUZXQML-UHFFFAOYSA-N 0 3 289.350 3.686 20 30 CHEDHN C=CCOCCN[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000679576467 1130541376 /nfs/dbraw/zinc/54/13/76/1130541376.db2.gz OMECZVNWHNANRZ-AWEZNQCLSA-N 0 3 271.360 3.800 20 30 CHEDHN C=CCOCCN[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000679576894 1130541987 /nfs/dbraw/zinc/54/19/87/1130541987.db2.gz XLLHJXMTIWNFKY-LJQANCHMSA-N 0 3 281.399 3.877 20 30 CHEDHN CC[C@H](CC#N)N1CCC[C@@H](c2ccccc2)CC1 ZINC001255175941 1130550184 /nfs/dbraw/zinc/55/01/84/1130550184.db2.gz TZKVRYICECSUGD-IAGOWNOFSA-N 0 3 256.393 3.948 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)C[C@]1(C)CC1(Cl)Cl ZINC000827322894 1130555645 /nfs/dbraw/zinc/55/56/45/1130555645.db2.gz BKNHHBQKTGIGNB-ZDUSSCGKSA-N 0 3 283.202 3.574 20 30 CHEDHN C=CCCCCC[C@H](C)[NH2+][C@H](C)c1nnc(CC)[n-]1 ZINC000793548752 1130568756 /nfs/dbraw/zinc/56/87/56/1130568756.db2.gz VERPDHJANIKVDR-QWHCGFSZSA-N 0 3 264.417 3.543 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(OC)cc1OC(C)C ZINC001234720680 1130675332 /nfs/dbraw/zinc/67/53/32/1130675332.db2.gz PIZRNCGQLSJKQG-UHFFFAOYSA-N 0 3 277.408 3.880 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235039867 1130704211 /nfs/dbraw/zinc/70/42/11/1130704211.db2.gz RCPHRQDRVDMGOQ-CQSZACIVSA-N 0 3 297.377 3.946 20 30 CHEDHN C#C[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1ccc(F)cc1 ZINC000812794265 1130716744 /nfs/dbraw/zinc/71/67/44/1130716744.db2.gz XGALHMKCSBPPDN-YESZJQIVSA-N 0 3 257.352 3.668 20 30 CHEDHN CC1(C)CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000781771272 1130739417 /nfs/dbraw/zinc/73/94/17/1130739417.db2.gz CIVWVTFTFSEVAT-RYUDHWBXSA-N 0 3 282.343 3.830 20 30 CHEDHN N#CCc1ccccc1CN1CCC(C(F)(F)F)CC1 ZINC001235516577 1130750415 /nfs/dbraw/zinc/75/04/15/1130750415.db2.gz UZPJVOHXNWXXIW-UHFFFAOYSA-N 0 3 282.309 3.527 20 30 CHEDHN CCCCCCCCNCc1nccn1C(C)C ZINC000692860842 1130751550 /nfs/dbraw/zinc/75/15/50/1130751550.db2.gz RCVGFHASSHHSSH-UHFFFAOYSA-N 0 3 251.418 3.914 20 30 CHEDHN COc1ccc(CNCc2ccccc2C(C)C)cc1C#N ZINC000782539170 1130782399 /nfs/dbraw/zinc/78/23/99/1130782399.db2.gz FVBDHIVEHIKBIS-UHFFFAOYSA-N 0 3 294.398 3.980 20 30 CHEDHN N#Cc1cc(-c2cc(N3CCCCC3)ccn2)ccc1F ZINC001235890967 1130795269 /nfs/dbraw/zinc/79/52/69/1130795269.db2.gz XSYAACFDNYIJCV-UHFFFAOYSA-N 0 3 281.334 3.750 20 30 CHEDHN C=CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccncc1 ZINC000783512383 1130832475 /nfs/dbraw/zinc/83/24/75/1130832475.db2.gz BMVVEPVNSAZSGV-CJNGLKHVSA-N 0 3 268.360 3.755 20 30 CHEDHN C[C@H](NN=C1CCCc2ccc(N)cc21)c1ccccc1 ZINC000814815085 1130916862 /nfs/dbraw/zinc/91/68/62/1130916862.db2.gz MMEDPTVEALBAFZ-ZDUSSCGKSA-N 0 3 279.387 3.660 20 30 CHEDHN C=CCC[C@@H](NCCNc1ccccc1)c1ccco1 ZINC000796791422 1130933115 /nfs/dbraw/zinc/93/31/15/1130933115.db2.gz AWZGOWRYJSLKDK-MRXNPFEDSA-N 0 3 270.376 3.989 20 30 CHEDHN C=CCN(CC=C)C[C@H](O)c1cccc2ccccc21 ZINC000815015337 1130950714 /nfs/dbraw/zinc/95/07/14/1130950714.db2.gz JNIGQEZMVPZFJJ-SFHVURJKSA-N 0 3 267.372 3.547 20 30 CHEDHN Cc1nc(C)c(CN2CCC(c3cccc(C#N)c3)CC2)o1 ZINC001236590781 1130981348 /nfs/dbraw/zinc/98/13/48/1130981348.db2.gz HIUSIWWZYXLEMR-UHFFFAOYSA-N 0 3 295.386 3.543 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(Cc1cccc3ccoc31)C2 ZINC001236728841 1131000956 /nfs/dbraw/zinc/00/09/56/1131000956.db2.gz ACTPHSFGMCBSIJ-UHFFFAOYSA-N 0 3 288.350 3.863 20 30 CHEDHN C#C[C@H](N[C@H](C)c1ccc(F)c2ccccc21)[C@@H]1CCCO1 ZINC000815617567 1131009333 /nfs/dbraw/zinc/00/93/33/1131009333.db2.gz QAUMWNBUXLYMRT-VMDGZTHMSA-N 0 3 297.373 3.810 20 30 CHEDHN Cc1cc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)n(C)n1 ZINC000815635607 1131014275 /nfs/dbraw/zinc/01/42/75/1131014275.db2.gz GISNMKNFELGQKV-WBVHZDCISA-N 0 3 296.418 3.814 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)NCc1c(F)cc(F)cc1F ZINC000815649077 1131016110 /nfs/dbraw/zinc/01/61/10/1131016110.db2.gz GXRPPTOVKVTRHI-ZJUUUORDSA-N 0 3 257.299 3.794 20 30 CHEDHN N#C[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236833723 1131019030 /nfs/dbraw/zinc/01/90/30/1131019030.db2.gz PWWRGBBPSPUOJQ-AWEZNQCLSA-N 0 3 280.371 3.671 20 30 CHEDHN N#C[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236833723 1131019036 /nfs/dbraw/zinc/01/90/36/1131019036.db2.gz PWWRGBBPSPUOJQ-AWEZNQCLSA-N 0 3 280.371 3.671 20 30 CHEDHN Cc1cccc(CN2CCC(S)CC2)c1Cl ZINC001236855619 1131022773 /nfs/dbraw/zinc/02/27/73/1131022773.db2.gz INNUAWNTWVQCGD-UHFFFAOYSA-N 0 3 255.814 3.543 20 30 CHEDHN C=CCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000816470478 1131095458 /nfs/dbraw/zinc/09/54/58/1131095458.db2.gz NZOYILHYEISSMV-DOTOQJQBSA-N 0 3 287.403 3.549 20 30 CHEDHN CCCCCCCCN(C)Cc1cncn1CC ZINC001237590710 1131117976 /nfs/dbraw/zinc/11/79/76/1131117976.db2.gz NLFMXITWDHNVIZ-UHFFFAOYSA-N 0 3 251.418 3.695 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001237749200 1131137289 /nfs/dbraw/zinc/13/72/89/1131137289.db2.gz QOMITUPHWBXXPF-GJZGRUSLSA-N 0 3 274.795 3.834 20 30 CHEDHN C=C[C@@H](COC)NCc1ccc(-c2ccccc2F)s1 ZINC001116615885 1131158306 /nfs/dbraw/zinc/15/83/06/1131158306.db2.gz QFRMOIDNUWUCEB-LBPRGKRZSA-N 0 3 291.391 3.845 20 30 CHEDHN Cc1c(C)c(CN2CCC(S)CC2)ccc1Cl ZINC001238217656 1131183921 /nfs/dbraw/zinc/18/39/21/1131183921.db2.gz CEXHDDASXPXGRR-UHFFFAOYSA-N 0 3 269.841 3.851 20 30 CHEDHN C=CCCCCN(C)Cc1cncc(OC(C)C)c1 ZINC001238470406 1131205348 /nfs/dbraw/zinc/20/53/48/1131205348.db2.gz DRSVDIWXPACBKY-UHFFFAOYSA-N 0 3 262.397 3.657 20 30 CHEDHN C=CCC1(C(=O)N[C@@H](C)CN2CCCCC2)CCCCC1 ZINC001136188768 1131230040 /nfs/dbraw/zinc/23/00/40/1131230040.db2.gz VYZYBHOMTRQTPL-INIZCTEOSA-N 0 3 292.467 3.504 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1 ZINC000829774820 1131432972 /nfs/dbraw/zinc/43/29/72/1131432972.db2.gz UOZSRHCRXSOASN-CYBMUJFWSA-N 0 3 279.330 3.523 20 30 CHEDHN C#CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000830321245 1131451529 /nfs/dbraw/zinc/45/15/29/1131451529.db2.gz CJZWMTHYQUAOBW-UHFFFAOYSA-N 0 3 284.790 3.733 20 30 CHEDHN C#C[C@H](NCc1cnc(-c2ccccc2F)s1)C(C)C ZINC000824363461 1131465793 /nfs/dbraw/zinc/46/57/93/1131465793.db2.gz DWCURMHJRDZHSH-HNNXBMFYSA-N 0 3 288.391 3.697 20 30 CHEDHN C=C(Cl)CN(CCCC)[C@H]1CCc2ncsc2C1 ZINC000830811807 1131470004 /nfs/dbraw/zinc/47/00/04/1131470004.db2.gz YUCAXKUAXCZMAK-LBPRGKRZSA-N 0 3 284.856 3.855 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1N1CCCC1 ZINC001138611223 1131527000 /nfs/dbraw/zinc/52/70/00/1131527000.db2.gz JXIYDEBJKQIRLX-XGWQRUHWSA-N 0 3 295.430 3.553 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](CC)C2)c1[O-] ZINC001138628402 1131529324 /nfs/dbraw/zinc/52/93/24/1131529324.db2.gz UGJYODQDUDSXLG-CQSZACIVSA-N 0 3 259.393 3.743 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](CC)C2)c1[O-] ZINC001138628402 1131529328 /nfs/dbraw/zinc/52/93/28/1131529328.db2.gz UGJYODQDUDSXLG-CQSZACIVSA-N 0 3 259.393 3.743 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCCC[C@H]1COC ZINC001138661560 1131533869 /nfs/dbraw/zinc/53/38/69/1131533869.db2.gz CKJLNFSQBBEHDW-KRWDZBQOSA-N 0 3 289.419 3.642 20 30 CHEDHN C=C(C)COc1ccccc1CN1CC[C@](C)(CF)C1 ZINC001138661936 1131534080 /nfs/dbraw/zinc/53/40/80/1131534080.db2.gz JKLQFVYNWXRYPJ-QGZVFWFLSA-N 0 3 277.383 3.823 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143848429 1131539801 /nfs/dbraw/zinc/53/98/01/1131539801.db2.gz YFDOYOGDPWRSAI-UHFFFAOYSA-N 0 3 271.763 3.886 20 30 CHEDHN C#CCCCN(Cc1ccccn1)Cc1ccccc1C ZINC000844332062 1131549593 /nfs/dbraw/zinc/54/95/93/1131549593.db2.gz BMXBOGYZPDABNH-UHFFFAOYSA-N 0 3 278.399 3.806 20 30 CHEDHN C=CCCCCN(C)Cc1c2cc[nH]c2ncc1Cl ZINC001138953272 1131563671 /nfs/dbraw/zinc/56/36/71/1131563671.db2.gz QMPAVBVUFOQNMW-UHFFFAOYSA-N 0 3 277.799 3.956 20 30 CHEDHN C=CCCN(Cc1cnn(CCC)c1)Cc1ccccc1 ZINC001139040924 1131575726 /nfs/dbraw/zinc/57/57/26/1131575726.db2.gz UEZRLFVTHVJILE-UHFFFAOYSA-N 0 3 283.419 3.871 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(ccn2C)c1 ZINC001139194267 1131593705 /nfs/dbraw/zinc/59/37/05/1131593705.db2.gz UEKKHEALQORNGH-UHFFFAOYSA-N 0 3 289.382 3.682 20 30 CHEDHN N#C[C@H]1CCCN(Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001139503473 1131611920 /nfs/dbraw/zinc/61/19/20/1131611920.db2.gz FLVPKPXFERYKCE-AWEZNQCLSA-N 0 3 297.427 3.936 20 30 CHEDHN Cc1cccc(CCN(C)Cc2cc(C#N)ccc2F)c1 ZINC001139651965 1131626530 /nfs/dbraw/zinc/62/65/30/1131626530.db2.gz ZGFYPHDXTBULFX-UHFFFAOYSA-N 0 3 282.362 3.680 20 30 CHEDHN C[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001139646827 1131627044 /nfs/dbraw/zinc/62/70/44/1131627044.db2.gz OQEGNOOHKLNBGX-OLZOCXBDSA-N 0 3 260.356 3.565 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(-c2cccnc2)cc1 ZINC001139646908 1131627073 /nfs/dbraw/zinc/62/70/73/1131627073.db2.gz JEFHNTXPGGPLDO-UHFFFAOYSA-N 0 3 264.372 3.923 20 30 CHEDHN CC(C)N(Cc1cccc(Cl)c1C#N)CC1CC1 ZINC001139691113 1131629264 /nfs/dbraw/zinc/62/92/64/1131629264.db2.gz SNTFYWWMZGYCNT-UHFFFAOYSA-N 0 3 262.784 3.832 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C(F)F ZINC001139799803 1131637994 /nfs/dbraw/zinc/63/79/94/1131637994.db2.gz VXEVHZPIMWPKEH-DEZZGGKRSA-N 0 3 276.330 3.891 20 30 CHEDHN Cc1ccc(CN2CCC(C#Cc3ccccc3)CC2)nc1 ZINC001139841194 1131641570 /nfs/dbraw/zinc/64/15/70/1131641570.db2.gz GOTHELLDLSEQSU-UHFFFAOYSA-N 0 3 290.410 3.654 20 30 CHEDHN C#CCN(CCCc1ccc(C)nc1)Cc1ccc(F)cc1 ZINC000792797343 1131653799 /nfs/dbraw/zinc/65/37/99/1131653799.db2.gz WMJIMROYGQMXGU-UHFFFAOYSA-N 0 3 296.389 3.597 20 30 CHEDHN CCCCCCC[C@H](C)CN[C@H]1CCn2ccnc21 ZINC000834527192 1131682100 /nfs/dbraw/zinc/68/21/00/1131682100.db2.gz XUJIKJWKHDUCSS-GJZGRUSLSA-N 0 3 263.429 3.914 20 30 CHEDHN C=CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccncc1 ZINC000834590352 1131685610 /nfs/dbraw/zinc/68/56/10/1131685610.db2.gz UHMITFREVVNWNS-JKSUJKDBSA-N 0 3 280.371 3.682 20 30 CHEDHN C=CC[C@H](C)N[C@H](C)c1nc(Br)cs1 ZINC000834654607 1131690929 /nfs/dbraw/zinc/69/09/29/1131690929.db2.gz PZKXPKZEEFLJKO-JGVFFNPUSA-N 0 3 275.215 3.521 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2ccc(F)cc2C1 ZINC001171222978 1131706868 /nfs/dbraw/zinc/70/68/68/1131706868.db2.gz KWJUWVFHGKCBAF-CQSZACIVSA-N 0 3 294.373 3.687 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2c(F)cccc2C1 ZINC001171228603 1131711137 /nfs/dbraw/zinc/71/11/37/1131711137.db2.gz HDKYUWRQDCTPSZ-CQSZACIVSA-N 0 3 294.373 3.687 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2cc(F)ccc2C1 ZINC001171229280 1131711800 /nfs/dbraw/zinc/71/18/00/1131711800.db2.gz LLASDMMPYJPESL-CQSZACIVSA-N 0 3 294.373 3.687 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000834903827 1131727597 /nfs/dbraw/zinc/72/75/97/1131727597.db2.gz TZWIHRQMWYMGKI-AWEZNQCLSA-N 0 3 296.389 3.724 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cc(Cl)cc3cccnc32)C1 ZINC000847024789 1131772468 /nfs/dbraw/zinc/77/24/68/1131772468.db2.gz SOVFCGUTMCFFMB-CYBMUJFWSA-N 0 3 284.790 3.733 20 30 CHEDHN Cc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)ccc1F ZINC000772958836 1131777967 /nfs/dbraw/zinc/77/79/67/1131777967.db2.gz LTKGSQKJAKCTPC-CQSZACIVSA-N 0 3 298.361 3.887 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC001140545636 1131787105 /nfs/dbraw/zinc/78/71/05/1131787105.db2.gz HSBKLZBEXKOQPI-HNNXBMFYSA-N 0 3 297.789 3.596 20 30 CHEDHN C=CCN(C)Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001140558688 1131792635 /nfs/dbraw/zinc/79/26/35/1131792635.db2.gz BBEMMGLCMZVNTL-UHFFFAOYSA-N 0 3 279.689 3.856 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H](C)c1sccc1C ZINC000772986256 1131842403 /nfs/dbraw/zinc/84/24/03/1131842403.db2.gz CHMVXDWSHNLTAO-AWEZNQCLSA-N 0 3 285.412 3.919 20 30 CHEDHN CC(C)CN(CCC#N)CC/C=C\c1ccccc1 ZINC000323442289 1131857091 /nfs/dbraw/zinc/85/70/91/1131857091.db2.gz SDLZGUXVUJRHGJ-WDZFZDKYSA-N 0 3 256.393 3.962 20 30 CHEDHN C[C@@H](Oc1ccc2ccccc2c1CN(C)C)[C@H](C)S ZINC001228442613 1131884540 /nfs/dbraw/zinc/88/45/40/1131884540.db2.gz TVJHXINMWGOCRI-OLZOCXBDSA-N 0 3 289.444 3.987 20 30 CHEDHN COCC[C@H]1CCCCN1Cc1cccc(C#N)c1Cl ZINC001140811344 1131931657 /nfs/dbraw/zinc/93/16/57/1131931657.db2.gz PTDNTRZTSADGFR-OAHLLOKOSA-N 0 3 292.810 3.603 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H]3CCC[C@@H]32)c1Cl ZINC001140809790 1131931767 /nfs/dbraw/zinc/93/17/67/1131931767.db2.gz HXOGDRFQVIBMIL-DOMZBBRYSA-N 0 3 274.795 3.976 20 30 CHEDHN C=CCN(Cc1c[nH]nc1C(F)(F)F)C1CCCCC1 ZINC001141017960 1131984904 /nfs/dbraw/zinc/98/49/04/1131984904.db2.gz CWTCDHIPAYTIAJ-UHFFFAOYSA-N 0 3 287.329 3.749 20 30 CHEDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(C#N)cc1 ZINC000036991927 1131985265 /nfs/dbraw/zinc/98/52/65/1131985265.db2.gz SQUYPRBQLXODON-STQMWFEESA-N 0 3 266.344 3.676 20 30 CHEDHN CC(C)C[C@](C)(C#N)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171741437 1132098540 /nfs/dbraw/zinc/09/85/40/1132098540.db2.gz PNQZTMVZCLENJF-BHIYHBOVSA-N 0 3 299.462 3.567 20 30 CHEDHN C[C@H](Cc1ccc(C#N)cc1)N(C)Cc1ccccc1F ZINC001172307606 1132153199 /nfs/dbraw/zinc/15/31/99/1132153199.db2.gz OWVRIIFZGHXQSU-CQSZACIVSA-N 0 3 282.362 3.760 20 30 CHEDHN Cc1cc([C@H]2CCCN2[C@H](C)Cc2ccc(C#N)cc2)no1 ZINC001172307594 1132153789 /nfs/dbraw/zinc/15/37/89/1132153789.db2.gz GQHPKUPTYJSHCR-FZKQIMNGSA-N 0 3 295.386 3.623 20 30 CHEDHN Cc1cc([C@@H]2CCCN2[C@@H](C)Cc2ccc(C#N)cc2)no1 ZINC001172307596 1132154128 /nfs/dbraw/zinc/15/41/28/1132154128.db2.gz GQHPKUPTYJSHCR-UGSOOPFHSA-N 0 3 295.386 3.623 20 30 CHEDHN COc1ccc2c(c1)CN([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172319750 1132158839 /nfs/dbraw/zinc/15/88/39/1132158839.db2.gz QWHKHVPYOKVIHD-AWEZNQCLSA-N 0 3 292.382 3.514 20 30 CHEDHN C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC001172296350 1132165746 /nfs/dbraw/zinc/16/57/46/1132165746.db2.gz HHOYNFNXGAGIKA-ZIAGYGMSSA-N 0 3 280.371 3.546 20 30 CHEDHN CC1(C#N)CCN(Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001141586040 1132191091 /nfs/dbraw/zinc/19/10/91/1132191091.db2.gz ORUKXCMDPSQZHS-UHFFFAOYSA-N 0 3 287.794 3.947 20 30 CHEDHN C=C(CC)CN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839202140 1132191772 /nfs/dbraw/zinc/19/17/72/1132191772.db2.gz CXJBWKOPWJKMKN-UHFFFAOYSA-N 0 3 280.799 3.544 20 30 CHEDHN C[C@@H](CCCC#N)N[C@@H](c1ccccc1)c1ccccn1 ZINC001172482426 1132229604 /nfs/dbraw/zinc/22/96/04/1132229604.db2.gz GONQGGILBSYWQA-YJBOKZPZSA-N 0 3 279.387 3.843 20 30 CHEDHN C[C@H](CCCC#N)NCc1c(F)ccc(F)c1Cl ZINC001172481727 1132229664 /nfs/dbraw/zinc/22/96/64/1132229664.db2.gz XCCLNOVUXKNNEV-SECBINFHSA-N 0 3 272.726 3.790 20 30 CHEDHN C[C@@H](CCCC#N)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001172494452 1132248064 /nfs/dbraw/zinc/24/80/64/1132248064.db2.gz UXJIKQOVBKGPII-LPHOPBHVSA-N 0 3 293.414 3.975 20 30 CHEDHN CCCCCCC[C@H](CCC)N1CC(N2CC(F)C2)C1 ZINC001172509439 1132257142 /nfs/dbraw/zinc/25/71/42/1132257142.db2.gz WQHDHUSXTAAZNQ-INIZCTEOSA-N 0 3 284.463 3.854 20 30 CHEDHN CN1CCC[C@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231200008 1132271854 /nfs/dbraw/zinc/27/18/54/1132271854.db2.gz IZTYKIAVELXKIY-XPFMCRKWSA-N 0 3 294.398 3.910 20 30 CHEDHN N#Cc1cnc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)s1 ZINC001172537149 1132274772 /nfs/dbraw/zinc/27/47/72/1132274772.db2.gz NAOBXQARJTWRSO-HUUCEWRRSA-N 0 3 297.427 3.831 20 30 CHEDHN Cc1ccc2c(c1)C[C@H](NCC1(C#N)CCCC1)CC2 ZINC001172824390 1132321290 /nfs/dbraw/zinc/32/12/90/1132321290.db2.gz WIXCXMWBYRIPKE-QGZVFWFLSA-N 0 3 268.404 3.526 20 30 CHEDHN C=CCOc1cccc(CN2CCC(OCCC)CC2)c1 ZINC001231623614 1132329060 /nfs/dbraw/zinc/32/90/60/1132329060.db2.gz LYRVLQRARQYQGP-UHFFFAOYSA-N 0 3 289.419 3.642 20 30 CHEDHN C#Cc1cccc(CN2Cc3ccccc3[C@H](C)C2)c1 ZINC001231657740 1132336037 /nfs/dbraw/zinc/33/60/37/1132336037.db2.gz MHEQFDBOQVZKOJ-OAHLLOKOSA-N 0 3 261.368 3.787 20 30 CHEDHN C[C@H](Cc1ccc(F)cc1Cl)N1CCC(S)CC1 ZINC001172870138 1132350555 /nfs/dbraw/zinc/35/05/55/1132350555.db2.gz ULORHINPDGKWOP-SNVBAGLBSA-N 0 3 287.831 3.804 20 30 CHEDHN C=CCN(Cc1cccnc1OCC)C1CCCCC1 ZINC001231766379 1132356911 /nfs/dbraw/zinc/35/69/11/1132356911.db2.gz DUTYQHTWYICFKH-UHFFFAOYSA-N 0 3 274.408 3.801 20 30 CHEDHN N=C(NC1CCC2(CCCCC2)CC1)c1ccc(F)cn1 ZINC001173114670 1132393532 /nfs/dbraw/zinc/39/35/32/1132393532.db2.gz FFLYVQZIWLLERX-UHFFFAOYSA-N 0 3 289.398 3.819 20 30 CHEDHN N#Cc1cnc(CNC2CCC3(CCCCC3)CC2)s1 ZINC001173118843 1132400304 /nfs/dbraw/zinc/40/03/04/1132400304.db2.gz RWCIVEVTYGAOOC-UHFFFAOYSA-N 0 3 289.448 3.997 20 30 CHEDHN C=CCN(Cc1ncc(Br)cc1C)C(C)(C)C ZINC001232053553 1132414001 /nfs/dbraw/zinc/41/40/01/1132414001.db2.gz YRGAMTKQVNOQMB-UHFFFAOYSA-N 0 3 297.240 3.939 20 30 CHEDHN C[C@@H]1CCCN(Cc2ccc(C#N)c(Cl)c2)[C@@H]1C ZINC001232120072 1132425138 /nfs/dbraw/zinc/42/51/38/1132425138.db2.gz LVTYBRCNEVESHQ-VXGBXAGGSA-N 0 3 262.784 3.832 20 30 CHEDHN CCCCCCCC[C@H](CCC)N1CC2(C1)CS(=O)C2 ZINC001173310478 1132451200 /nfs/dbraw/zinc/45/12/00/1132451200.db2.gz WAPHCOMEMFITER-INIZCTEOSA-N 0 3 299.524 3.970 20 30 CHEDHN C=C(C)CN(CC)Cc1cnc(SC)cc1C ZINC001232349093 1132458482 /nfs/dbraw/zinc/45/84/82/1132458482.db2.gz YJCBWWBGSHYMLT-UHFFFAOYSA-N 0 3 250.411 3.510 20 30 CHEDHN C[C@H]1CN(C2CCC(CC#N)CC2)[C@@H](c2ccccc2)CO1 ZINC001173340776 1132467350 /nfs/dbraw/zinc/46/73/50/1132467350.db2.gz LMAZXCQXBBNMJO-NHFHULPWSA-N 0 3 298.430 3.921 20 30 CHEDHN CN(Cc1cccs1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921420 1132478058 /nfs/dbraw/zinc/47/80/58/1132478058.db2.gz MBJWEIMRFZEJES-UHFFFAOYSA-N 0 3 281.384 3.733 20 30 CHEDHN C=CCN(C)Cc1cc(C)c(Br)c(C)c1 ZINC001232521998 1132484255 /nfs/dbraw/zinc/48/42/55/1132484255.db2.gz UTGWXLRWOUALCR-UHFFFAOYSA-N 0 3 268.198 3.684 20 30 CHEDHN CCCCCCCN(C)Cc1cnc2ccc(Cl)nn12 ZINC001142991720 1132491038 /nfs/dbraw/zinc/49/10/38/1132491038.db2.gz KQJPKLVETHGEDQ-UHFFFAOYSA-N 0 3 294.830 3.785 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCS[C@H]2C)c([O-])c1 ZINC000843264721 1132509509 /nfs/dbraw/zinc/50/95/09/1132509509.db2.gz RPGSMUNRHJDFBS-YCQURQMESA-N 0 3 292.448 3.551 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000843424402 1132532923 /nfs/dbraw/zinc/53/29/23/1132532923.db2.gz TVWMFHCLMFJXJI-ZDUSSCGKSA-N 0 3 299.443 3.509 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096960 1132572266 /nfs/dbraw/zinc/57/22/66/1132572266.db2.gz OSWMOCMQBCMKNJ-CHWSQXEVSA-N 0 3 289.398 3.526 20 30 CHEDHN Cc1c2[nH]cnc2ccc1N[C@@H](C#N)c1ccccc1 ZINC001161717394 1133019362 /nfs/dbraw/zinc/01/93/62/1133019362.db2.gz AZFVFSAJDAIAEJ-HNNXBMFYSA-N 0 3 262.316 3.548 20 30 CHEDHN Cc1ccccc1O[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001203760953 1133366143 /nfs/dbraw/zinc/36/61/43/1133366143.db2.gz VEXYGQWKINSYFY-SFHVURJKSA-N 0 3 292.382 3.520 20 30 CHEDHN N#Cc1cccc(CN2CCC3(CC(F)(F)C3)CC2)c1 ZINC001203757859 1133367281 /nfs/dbraw/zinc/36/72/81/1133367281.db2.gz UVVJDOKDMCTZCM-UHFFFAOYSA-N 0 3 276.330 3.570 20 30 CHEDHN N#Cc1ccc([O-])c(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001203817024 1133373719 /nfs/dbraw/zinc/37/37/19/1133373719.db2.gz VPHFHCUAHGESPL-UHFFFAOYSA-N 0 3 293.370 3.603 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(F)(F)F)cc1 ZINC001204164701 1133413301 /nfs/dbraw/zinc/41/33/01/1133413301.db2.gz SHZVTHLYMZNLFW-XMQYKBBCSA-N 0 3 294.320 3.972 20 30 CHEDHN C=CCOc1ccc(CN2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001204297670 1133431088 /nfs/dbraw/zinc/43/10/88/1133431088.db2.gz MVPNLLHVFDAIMY-OAHLLOKOSA-N 0 3 299.336 3.821 20 30 CHEDHN CCCOc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001204307897 1133433765 /nfs/dbraw/zinc/43/37/65/1133433765.db2.gz NSLPXOVCUNXMFO-OSYLJGHBSA-N 0 3 284.403 3.742 20 30 CHEDHN C[C@@H](c1nccc2ccccc21)N1CCC(C#N)CC1 ZINC001204461512 1133450535 /nfs/dbraw/zinc/45/05/35/1133450535.db2.gz SOABVINFZKDUCS-ZDUSSCGKSA-N 0 3 265.360 3.531 20 30 CHEDHN N#Cc1ccc2c(c1)CN(Cc1cccc3[nH]ccc31)CC2 ZINC001205256066 1133549824 /nfs/dbraw/zinc/54/98/24/1133549824.db2.gz QYXVWYRADLZMTG-UHFFFAOYSA-N 0 3 287.366 3.598 20 30 CHEDHN Cc1ccc(CN(C)Cc2ccc(F)c(C#N)c2)cc1C ZINC001205496847 1133582221 /nfs/dbraw/zinc/58/22/21/1133582221.db2.gz VGUVXAUSEMFVKW-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN CN(Cc1ccc2[nH]ccc2c1)Cc1cccc(C#N)c1 ZINC001205606525 1133594126 /nfs/dbraw/zinc/59/41/26/1133594126.db2.gz WRNLEQULMVCBQG-UHFFFAOYSA-N 0 3 275.355 3.672 20 30 CHEDHN N#Cc1cc(F)cc(CN2CC[C@@H](c3ccccc3)C2)c1 ZINC000163600271 1133622551 /nfs/dbraw/zinc/62/25/51/1133622551.db2.gz LHVYXDCAQIQRJG-QGZVFWFLSA-N 0 3 280.346 3.687 20 30 CHEDHN C=CCCCCCCCCCN1CCC2(C1)OCCO2 ZINC001207898894 1133859666 /nfs/dbraw/zinc/85/96/66/1133859666.db2.gz HAPSJLHMCVTESL-UHFFFAOYSA-N 0 3 281.440 3.742 20 30 CHEDHN N#Cc1cccc(CCCN2Cc3ccccc3C2)c1 ZINC001208844815 1133951664 /nfs/dbraw/zinc/95/16/64/1133951664.db2.gz LXXXUDAGGBJEHJ-UHFFFAOYSA-N 0 3 262.356 3.507 20 30 CHEDHN C=CCCCCCCCN1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC ZINC001209443373 1134022256 /nfs/dbraw/zinc/02/22/56/1134022256.db2.gz RJIXNJGEEJNBEN-PMPSAXMXSA-N 0 3 279.424 3.539 20 30 CHEDHN C=C(C)CN(CC)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209760734 1134061904 /nfs/dbraw/zinc/06/19/04/1134061904.db2.gz YRRUOQRBKOFMNH-UHFFFAOYSA-N 0 3 263.772 3.614 20 30 CHEDHN C=C(C)CN(CC)Cc1n[nH]c2ccc(Cl)cc21 ZINC001209760734 1134061899 /nfs/dbraw/zinc/06/18/99/1134061899.db2.gz YRRUOQRBKOFMNH-UHFFFAOYSA-N 0 3 263.772 3.614 20 30 CHEDHN Cc1ccnc(C#N)c1Nc1ccnc(C(C)(C)C)c1 ZINC001213164127 1134432557 /nfs/dbraw/zinc/43/25/57/1134432557.db2.gz IYXXLZWIKZLDKW-UHFFFAOYSA-N 0 3 266.348 3.698 20 30 CHEDHN N#Cc1ccc(CNC/C=C\c2ccccc2)cc1F ZINC000404095549 1134921190 /nfs/dbraw/zinc/92/11/90/1134921190.db2.gz ANRAODUIHZPRIJ-DAXSKMNVSA-N 0 3 266.319 3.500 20 30 CHEDHN C=CCCCCCC[C@@H](C)OC[C@H]1COC(C)(C)N1 ZINC001217895808 1135019843 /nfs/dbraw/zinc/01/98/43/1135019843.db2.gz UJOZUOCOOVKOQH-CABCVRRESA-N 0 3 269.429 3.643 20 30 CHEDHN CCCCCCCCCCCO[C@H]1CNC[C@@H]1C#N ZINC001217910659 1135022572 /nfs/dbraw/zinc/02/25/72/1135022572.db2.gz MWPSBVWIKAARIH-HOTGVXAUSA-N 0 3 266.429 3.645 20 30 CHEDHN C=C[C@@]1(C)CC[C@@H](Oc2cccc3c2CNC3)C(C)(C)O1 ZINC001218354696 1135093565 /nfs/dbraw/zinc/09/35/65/1135093565.db2.gz IFTCWDZEAHTYNR-AEFFLSMTSA-N 0 3 287.403 3.571 20 30 CHEDHN CC[C@@H]1CC[C@@H](C)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000312001389 1135131480 /nfs/dbraw/zinc/13/14/80/1135131480.db2.gz PTRWJVWLRYJABN-CHWSQXEVSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@@H](Cc1ccsc1)N(C)CC#Cc1ccccc1 ZINC000192055623 1135143863 /nfs/dbraw/zinc/14/38/63/1135143863.db2.gz RIVXWZABOBHJFH-HNNXBMFYSA-N 0 3 269.413 3.663 20 30 CHEDHN C=CCn1cc(-c2ccc(CN3CCCCC3)c(F)c2)cn1 ZINC001222408960 1135237483 /nfs/dbraw/zinc/23/74/83/1135237483.db2.gz HGOPVGFKJHDACD-UHFFFAOYSA-N 0 3 299.393 3.861 20 30 CHEDHN C=CCn1cc(-c2ccc(F)c(CN3CCCCC3)c2)cn1 ZINC001222408990 1135238039 /nfs/dbraw/zinc/23/80/39/1135238039.db2.gz IUVLYLNIKRVJJD-UHFFFAOYSA-N 0 3 299.393 3.861 20 30 CHEDHN COc1ccc(-c2c(C)cc(C#N)cc2C)cc1CN(C)C ZINC001222663237 1135262023 /nfs/dbraw/zinc/26/20/23/1135262023.db2.gz MURTZRGPKKVNJQ-UHFFFAOYSA-N 0 3 294.398 3.912 20 30 CHEDHN CC[C@]1(C)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000344380508 529395146 /nfs/dbraw/zinc/39/51/46/529395146.db2.gz PKQSCTAJMQCOIT-MRXNPFEDSA-N 0 3 260.356 3.709 20 30 CHEDHN CCc1cnccc1[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353264199 529678216 /nfs/dbraw/zinc/67/82/16/529678216.db2.gz XKXKJPNRAFSRGU-BFUOFWGJSA-N 0 3 291.398 3.854 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000122885962 187057814 /nfs/dbraw/zinc/05/78/14/187057814.db2.gz MNXZGNCHIYFRGF-AWEZNQCLSA-N 0 3 250.345 3.751 20 30 CHEDHN C=CCN(CCCCCOC)Cc1cccs1 ZINC000103225538 261277960 /nfs/dbraw/zinc/27/79/60/261277960.db2.gz XWOXXFXAFVZWGW-UHFFFAOYSA-N 0 3 253.411 3.553 20 30 CHEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000334831882 533110458 /nfs/dbraw/zinc/11/04/58/533110458.db2.gz IGKHVWVHAWQOCS-GUYCJALGSA-N 0 3 278.355 3.663 20 30 CHEDHN C[C@@H](NCc1ccc2ncccc2c1)c1ccc(C#N)cc1 ZINC000192940652 533452099 /nfs/dbraw/zinc/45/20/99/533452099.db2.gz WDBBTCUTNNYYFA-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)s1 ZINC000035256396 172087074 /nfs/dbraw/zinc/08/70/74/172087074.db2.gz FDHDQQLTCFSDAX-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@H](NCc1cc(C#N)cs1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000344710329 225154202 /nfs/dbraw/zinc/15/42/02/225154202.db2.gz XAFPZFHNGWQCOM-NVGCLXPQSA-N 0 3 298.411 3.663 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3sccc32)cc1F ZINC000334671785 335081148 /nfs/dbraw/zinc/08/11/48/335081148.db2.gz PKYOYGKPHKDCDK-HNNXBMFYSA-N 0 3 286.375 3.926 20 30 CHEDHN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CCCCC#N ZINC000354842484 227157882 /nfs/dbraw/zinc/15/78/82/227157882.db2.gz WJKFUIFCQRHMGK-QWHCGFSZSA-N 0 3 260.356 3.827 20 30 CHEDHN N#CC(CCc1ccccc1)C(=O)NC1CCCCCC1 ZINC000331498426 228107710 /nfs/dbraw/zinc/10/77/10/228107710.db2.gz SAECZAPMKFSDFT-INIZCTEOSA-N 0 3 284.403 3.598 20 30 CHEDHN CO[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353262771 228076234 /nfs/dbraw/zinc/07/62/34/228076234.db2.gz IXUYPCNYZJBNOG-MOPGFXCFSA-N 0 3 292.382 3.523 20 30 CHEDHN N#CC1(NC(=O)CN(C2CCC2)C2CCC2)CCCCC1 ZINC000330264557 228085283 /nfs/dbraw/zinc/08/52/83/228085283.db2.gz YBVHROSVWXSCMQ-UHFFFAOYSA-N 0 3 289.423 3.576 20 30 CHEDHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000335980660 228174722 /nfs/dbraw/zinc/17/47/22/228174722.db2.gz WPSYTEOYTKSUGY-JQWIXIFHSA-N 0 3 282.309 3.926 20 30 CHEDHN C[C@@]1(c2ccccc2)CCCN(CC2(C#N)CC2)CC1 ZINC000352222686 228201034 /nfs/dbraw/zinc/20/10/34/228201034.db2.gz SBLYIZODFROLRV-QGZVFWFLSA-N 0 3 268.404 3.734 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000336170631 228202843 /nfs/dbraw/zinc/20/28/43/228202843.db2.gz TYWFHMLYJAXFKC-GJQQOJJOSA-N 0 3 292.785 3.949 20 30 CHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000037748600 260115985 /nfs/dbraw/zinc/11/59/85/260115985.db2.gz IQPARRAKFDFMOM-QGZVFWFLSA-N 0 3 250.345 3.799 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2F)N(CCCSCC#N)C1 ZINC000074991730 260289152 /nfs/dbraw/zinc/28/91/52/260289152.db2.gz ISSXAGRCZQSGRG-BBRMVZONSA-N 0 3 292.423 3.855 20 30 CHEDHN C[C@H]1CCC[C@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000223522416 260305227 /nfs/dbraw/zinc/30/52/27/260305227.db2.gz HSWKHTRIRWLLHT-WFASDCNBSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCC[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccco1 ZINC000367592334 260967815 /nfs/dbraw/zinc/96/78/15/260967815.db2.gz CCRVBNVOGUJMMA-HLLBOEOZSA-N 0 3 275.392 3.834 20 30 CHEDHN CCC[C@H](NCc1cccc(C#N)c1)c1cccnc1 ZINC000184987443 262035605 /nfs/dbraw/zinc/03/56/05/262035605.db2.gz MZAPRFKTOFPDLC-KRWDZBQOSA-N 0 3 265.360 3.584 20 30 CHEDHN Cc1cccc2c1ncc(C)c2NCCCCC#N ZINC000185296165 262049030 /nfs/dbraw/zinc/04/90/30/262049030.db2.gz OMOAYCWLKYHTBU-UHFFFAOYSA-N 0 3 253.349 3.957 20 30 CHEDHN CCCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185783733 262070591 /nfs/dbraw/zinc/07/05/91/262070591.db2.gz NWJVLDIKEJPENJ-HOTGVXAUSA-N 0 3 272.392 3.647 20 30 CHEDHN C=CC[C@H](C)NCc1nc2ccccc2n1CCC ZINC000119310024 262158807 /nfs/dbraw/zinc/15/88/07/262158807.db2.gz JDJGKERVKNQBHE-ZDUSSCGKSA-N 0 3 257.381 3.501 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NC2(c3ccccc3)CCC2)C1 ZINC000193088474 262216096 /nfs/dbraw/zinc/21/60/96/262216096.db2.gz USALYLDUBPUTKC-GOEBONIOSA-N 0 3 254.377 3.738 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2N2CCCCC2)C1 ZINC000193272042 262219230 /nfs/dbraw/zinc/21/92/30/262219230.db2.gz OARKOXLYNCDRNP-WMZOPIPTSA-N 0 3 297.446 3.849 20 30 CHEDHN C=C(CC)CNC1(c2ccc(Br)cc2)CC1 ZINC000390617706 262229034 /nfs/dbraw/zinc/22/90/34/262229034.db2.gz HLJJBDBHKNAJGV-UHFFFAOYSA-N 0 3 280.209 3.994 20 30 CHEDHN C=CCCC[C@H](C)N[C@H](CO)c1cccc(Cl)c1F ZINC000499941160 262246583 /nfs/dbraw/zinc/24/65/83/262246583.db2.gz CGUKFNMFBQPXLP-SMDDNHRTSA-N 0 3 285.790 3.847 20 30 CHEDHN Cc1cnn(CCCCCN(CCC#N)CC(C)(C)C)c1 ZINC000111250142 262257982 /nfs/dbraw/zinc/25/79/82/262257982.db2.gz WLLOPWSHGFMXKD-UHFFFAOYSA-N 0 3 290.455 3.624 20 30 CHEDHN C=C(C)CN[C@H](CC)c1ccccc1OC(F)F ZINC000119518425 262274474 /nfs/dbraw/zinc/27/44/74/262274474.db2.gz KCTSGAALYOQJLO-GFCCVEGCSA-N 0 3 255.308 3.905 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1CS[C@@H](C(C)C)C1 ZINC000488424706 262318455 /nfs/dbraw/zinc/31/84/55/262318455.db2.gz DLFQFOTXADLYLM-NVXWUHKLSA-N 0 3 291.460 3.871 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000521425603 262327822 /nfs/dbraw/zinc/32/78/22/262327822.db2.gz GMVHJEKQWPBLAD-LJQANCHMSA-N 0 3 294.373 3.904 20 30 CHEDHN N#Cc1csc(CNC[C@@H]2CCCCC2(F)F)c1 ZINC000390890866 262359325 /nfs/dbraw/zinc/35/93/25/262359325.db2.gz YIAVROQLYYHKJM-NSHDSACASA-N 0 3 270.348 3.535 20 30 CHEDHN C=CCC[C@H](NCc1cnc(OC)nc1C)c1ccccc1 ZINC000337180830 262429182 /nfs/dbraw/zinc/42/91/82/262429182.db2.gz MFWZFYUXUPFAMO-KRWDZBQOSA-N 0 3 297.402 3.591 20 30 CHEDHN C=CCOCCN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000339009369 262580879 /nfs/dbraw/zinc/58/08/79/262580879.db2.gz BFAIWRMUODBZRE-UKRRQHHQSA-N 0 3 263.381 3.564 20 30 CHEDHN N#Cc1ccc(CN2CCSC3(CCC3)CC2)cc1F ZINC000411874059 262709157 /nfs/dbraw/zinc/70/91/57/262709157.db2.gz FURPVPREXXNNIK-UHFFFAOYSA-N 0 3 290.407 3.559 20 30 CHEDHN CC(C)(C#N)CCN1CC=C(c2ccc(F)cc2)CC1 ZINC000272041119 263001462 /nfs/dbraw/zinc/00/14/62/263001462.db2.gz QZTKNHLWBRDMTP-UHFFFAOYSA-N 0 3 272.367 3.855 20 30 CHEDHN CC[C@@H](NCCC(C)(C)C#N)c1cc(F)ccc1F ZINC000272045471 263001747 /nfs/dbraw/zinc/00/17/47/263001747.db2.gz SBWMJVFLLFTAQO-CQSZACIVSA-N 0 3 266.335 3.945 20 30 CHEDHN CC(C)(C#N)CCNC1(c2cccc(Cl)c2)CC1 ZINC000272073736 263001970 /nfs/dbraw/zinc/00/19/70/263001970.db2.gz ZRCUYAWPFDZHKV-UHFFFAOYSA-N 0 3 262.784 3.859 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CCC(C)(C#N)CC1 ZINC000272535998 263005929 /nfs/dbraw/zinc/00/59/29/263005929.db2.gz JAXYAOWALNPQSD-UHFFFAOYSA-N 0 3 281.403 3.613 20 30 CHEDHN CC1(C#N)CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000272617427 263007749 /nfs/dbraw/zinc/00/77/49/263007749.db2.gz UCSGGMNLNUMDSZ-UHFFFAOYSA-N 0 3 276.811 3.898 20 30 CHEDHN C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1[O-] ZINC000272926777 263010103 /nfs/dbraw/zinc/01/01/03/263010103.db2.gz YYNZJQHWSGLVEW-ZDUSSCGKSA-N 0 3 278.355 3.604 20 30 CHEDHN C[C@@H]1C[C@H](NCCCC#N)c2cccc(Br)c21 ZINC000273314794 263015174 /nfs/dbraw/zinc/01/51/74/263015174.db2.gz XTPJYCHGHCHZOZ-MFKMUULPSA-N 0 3 293.208 3.891 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2C(F)(F)F)C1 ZINC000274176168 263021677 /nfs/dbraw/zinc/02/16/77/263021677.db2.gz DBHMTXICXDZCRB-DGCLKSJQSA-N 0 3 282.309 3.877 20 30 CHEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc(F)ccc1F ZINC000274618289 263027889 /nfs/dbraw/zinc/02/78/89/263027889.db2.gz LOTOSGJOYXXJDK-GMXABZIVSA-N 0 3 264.319 3.698 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1OC(F)F ZINC000274628849 263028091 /nfs/dbraw/zinc/02/80/91/263028091.db2.gz OGXDWIIEYJWLEO-TUAOUCFPSA-N 0 3 280.318 3.631 20 30 CHEDHN C[C@H](c1ccccn1)N(C)CCCCC(C)(C)C#N ZINC000277576631 263042232 /nfs/dbraw/zinc/04/22/32/263042232.db2.gz BUQKXCZAORVGHZ-CQSZACIVSA-N 0 3 259.397 3.794 20 30 CHEDHN CCc1ccc([C@H](COC)NCCCCC(C)(C)C#N)o1 ZINC000278576115 263049230 /nfs/dbraw/zinc/04/92/30/263049230.db2.gz CJJKVSKAGZMBRI-HNNXBMFYSA-N 0 3 292.423 3.839 20 30 CHEDHN C=CCOc1cccc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000340105179 263071250 /nfs/dbraw/zinc/07/12/50/263071250.db2.gz OPKBFCKBYHPPGQ-IBGZPJMESA-N 0 3 294.398 3.887 20 30 CHEDHN CC1(C)CN(CCCSCC#N)[C@@H]1c1cccs1 ZINC000287016489 263100617 /nfs/dbraw/zinc/10/06/17/263100617.db2.gz RARLWOIHJBGVFQ-CYBMUJFWSA-N 0 3 280.462 3.778 20 30 CHEDHN COC[C@H](NCCC(C)(C)C#N)c1cccc(Cl)c1 ZINC000288838669 263106178 /nfs/dbraw/zinc/10/61/78/263106178.db2.gz OKTXYXRZXULNBT-AWEZNQCLSA-N 0 3 280.799 3.557 20 30 CHEDHN C=CCC[C@@H](CC)NCc1oc(CCC)nc1C ZINC000293385300 263139640 /nfs/dbraw/zinc/13/96/40/263139640.db2.gz INFJEYRYUNKONH-CYBMUJFWSA-N 0 3 250.386 3.770 20 30 CHEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccnn1C ZINC000340446418 263152603 /nfs/dbraw/zinc/15/26/03/263152603.db2.gz OHLTUPYMHYNKQV-ZBFHGGJFSA-N 0 3 282.391 3.506 20 30 CHEDHN CCn1cc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000340456136 263157914 /nfs/dbraw/zinc/15/79/14/263157914.db2.gz UZKGDPRCBOORRY-QAPCUYQASA-N 0 3 296.418 3.989 20 30 CHEDHN CC(C)c1nc([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)cs1 ZINC000296321679 263189870 /nfs/dbraw/zinc/18/98/70/263189870.db2.gz GWFIHHZJFFOAQF-AGIUHOORSA-N 0 3 277.437 3.999 20 30 CHEDHN CCC(C)(C)OCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453398590 263263741 /nfs/dbraw/zinc/26/37/41/263263741.db2.gz AHGVFYUTAREVMB-LBPRGKRZSA-N 0 3 278.371 3.553 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000121081726 263290340 /nfs/dbraw/zinc/29/03/40/263290340.db2.gz URSYOPWCAWSFCB-HNNXBMFYSA-N 0 3 274.408 3.528 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000121161799 263291636 /nfs/dbraw/zinc/29/16/36/263291636.db2.gz PPLFTTUCODQTSH-OAHLLOKOSA-N 0 3 274.408 3.528 20 30 CHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC)c1ccccc1 ZINC000341185687 263329119 /nfs/dbraw/zinc/32/91/19/263329119.db2.gz AYHAPXGTAZEJPQ-DOTOQJQBSA-N 0 3 288.435 3.540 20 30 CHEDHN C[C@H]1C[C@H]1c1ccc(CNCCc2cccc(C#N)c2)o1 ZINC000341473471 263341304 /nfs/dbraw/zinc/34/13/04/263341304.db2.gz VRGVPXWKFKQULK-SUMWQHHRSA-N 0 3 280.371 3.607 20 30 CHEDHN C=CCC[C@H](O)CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000341571948 263341955 /nfs/dbraw/zinc/34/19/55/263341955.db2.gz IQCBUIARECZIFX-KBPBESRZSA-N 0 3 287.325 3.597 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccc3sccc3c2)C1 ZINC000334431576 263624882 /nfs/dbraw/zinc/62/48/82/263624882.db2.gz WFRYXYLYHBMSJN-FZMZJTMJSA-N 0 3 256.374 3.683 20 30 CHEDHN C[C@@H]1CC[C@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000331114861 264128927 /nfs/dbraw/zinc/12/89/27/264128927.db2.gz KFRMPYJHRCSTDR-AVRGHOLYSA-N 0 3 285.391 3.549 20 30 CHEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@H]1C ZINC000331203499 264160881 /nfs/dbraw/zinc/16/08/81/264160881.db2.gz RJNTYVNHDFIDKU-ATLSCFEFSA-N 0 3 298.430 3.700 20 30 CHEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@@H]1C ZINC000331203501 264160896 /nfs/dbraw/zinc/16/08/96/264160896.db2.gz RJNTYVNHDFIDKU-LMSBXDPUSA-N 0 3 298.430 3.700 20 30 CHEDHN C[C@@H]1CCC[C@H](C)[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331358634 264208459 /nfs/dbraw/zinc/20/84/59/264208459.db2.gz VLEWTHWOFZVEAZ-OJDYBEQGSA-N 0 3 285.391 3.549 20 30 CHEDHN CCS[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000189492328 264302559 /nfs/dbraw/zinc/30/25/59/264302559.db2.gz PQUCQOGHHYXWIE-JKSUJKDBSA-N 0 3 292.423 3.851 20 30 CHEDHN CC(C)c1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000189584127 264310298 /nfs/dbraw/zinc/31/02/98/264310298.db2.gz JOHRXXOYOCTKJL-CQSZACIVSA-N 0 3 281.403 3.871 20 30 CHEDHN C=CCC[C@@H](NC[C@](C)(O)c1ccccc1)c1ccco1 ZINC000286023304 264574085 /nfs/dbraw/zinc/57/40/85/264574085.db2.gz JUYCULGOHILRSO-AEFFLSMTSA-N 0 3 285.387 3.784 20 30 CHEDHN N#Cc1csc(CN(CC2CC2)C2CCCCC2)n1 ZINC000356194519 266068685 /nfs/dbraw/zinc/06/86/85/266068685.db2.gz PDTXILHUCGRCPT-UHFFFAOYSA-N 0 3 275.421 3.559 20 30 CHEDHN Cc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)ccc1C#N ZINC000356283500 266087266 /nfs/dbraw/zinc/08/72/66/266087266.db2.gz OKTIJRQKZNOHRA-KRWDZBQOSA-N 0 3 266.388 3.631 20 30 CHEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)C2(CCC2)C1 ZINC000357019309 266233662 /nfs/dbraw/zinc/23/36/62/266233662.db2.gz COVZFQQRCALDMG-AWEZNQCLSA-N 0 3 284.403 3.579 20 30 CHEDHN C=CCN(Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000357557061 266323549 /nfs/dbraw/zinc/32/35/49/266323549.db2.gz YAQRZCPSGXOAKN-UHFFFAOYSA-N 0 3 294.398 3.811 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N(Cc2cn3ccccc3c2C#N)C1 ZINC000357745293 266354642 /nfs/dbraw/zinc/35/46/42/266354642.db2.gz OOYPFPSUSANPFA-CABCVRRESA-N 0 3 281.403 3.821 20 30 CHEDHN N#CCCCN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000368666980 267196687 /nfs/dbraw/zinc/19/66/87/267196687.db2.gz OQQQBCJGNYPYHK-UHFFFAOYSA-N 0 3 278.346 3.523 20 30 CHEDHN C[C@H](CCc1ccc(F)cc1F)NCC1(C#N)CCC1 ZINC000418143092 267365774 /nfs/dbraw/zinc/36/57/74/267365774.db2.gz OSJHBJRDXVRJKU-GFCCVEGCSA-N 0 3 278.346 3.569 20 30 CHEDHN Cc1cccnc1[C@@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418144854 267366190 /nfs/dbraw/zinc/36/61/90/267366190.db2.gz VFJUIBPZTBLKHX-HZPDHXFCSA-N 0 3 283.419 3.700 20 30 CHEDHN Cc1ccc([C@H]2CCC[C@@H]2NCC2(C#N)CCC2)cc1 ZINC000418137961 267372489 /nfs/dbraw/zinc/37/24/89/267372489.db2.gz FPFFYTUZYWODAQ-SJORKVTESA-N 0 3 268.404 3.915 20 30 CHEDHN CC(C)n1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418151145 267375388 /nfs/dbraw/zinc/37/53/88/267375388.db2.gz WSJMOMHUTRYSET-SFHVURJKSA-N 0 3 294.402 3.503 20 30 CHEDHN N#Cc1ccc2ncc(CN3CCCC34CCCCC4)n2c1 ZINC000371332576 267391441 /nfs/dbraw/zinc/39/14/41/267391441.db2.gz QPPKIUWZPBLKNM-UHFFFAOYSA-N 0 3 294.402 3.505 20 30 CHEDHN CCCCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000376738468 268012031 /nfs/dbraw/zinc/01/20/31/268012031.db2.gz UICMWDNJAFLBKZ-UHFFFAOYSA-N 0 3 285.435 3.909 20 30 CHEDHN N#CCC[C@@H](N[C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000377121705 268049896 /nfs/dbraw/zinc/04/98/96/268049896.db2.gz XKPUHPSURSFXNA-IAGOWNOFSA-N 0 3 284.403 3.580 20 30 CHEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 ZINC000185845553 327847841 /nfs/dbraw/zinc/84/78/41/327847841.db2.gz SXACRZXZJIOVKV-VYDXJSESSA-N 0 3 294.402 3.605 20 30 CHEDHN C[C@@H](CCc1ccccc1)CN(C)CC(C)(C)C#N ZINC000518805986 328170386 /nfs/dbraw/zinc/17/03/86/328170386.db2.gz HUHGOYJTWYDSGQ-HNNXBMFYSA-N 0 3 258.409 3.737 20 30 CHEDHN N#CCCCNCc1ccc(-c2cccc(F)c2)s1 ZINC000273077429 328203530 /nfs/dbraw/zinc/20/35/30/328203530.db2.gz PWGDQFIHTYEEEN-UHFFFAOYSA-N 0 3 274.364 3.948 20 30 CHEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000278837142 328230989 /nfs/dbraw/zinc/23/09/89/328230989.db2.gz UMYIWDGPDVROMJ-RMHZUWNSSA-N 0 3 290.382 3.574 20 30 CHEDHN CO[C@H](c1ccccc1)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000279674192 328233131 /nfs/dbraw/zinc/23/31/31/328233131.db2.gz GDRJZSLGOBRAEN-VCBZYWHSSA-N 0 3 294.398 3.985 20 30 CHEDHN C=CCC(C)(C)CN[C@@H](c1ccccc1)c1cncnc1 ZINC000340425931 328275676 /nfs/dbraw/zinc/27/56/76/328275676.db2.gz AZVCKGZAWDUCNV-KRWDZBQOSA-N 0 3 281.403 3.758 20 30 CHEDHN CC(C)(C)[C@H](NCCOCCC#N)c1ccc(F)cc1F ZINC000294592049 328281912 /nfs/dbraw/zinc/28/19/12/328281912.db2.gz NCRWIXDLURPQRI-OAHLLOKOSA-N 0 3 296.361 3.572 20 30 CHEDHN N#CC[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000296446534 328290661 /nfs/dbraw/zinc/29/06/61/328290661.db2.gz MPFXJEKOASJTTH-VDZJLULYSA-N 0 3 291.398 3.843 20 30 CHEDHN CC(C)(C)C1=CCN(Cc2cccc(C#N)c2)CC1 ZINC000534660021 328342604 /nfs/dbraw/zinc/34/26/04/328342604.db2.gz OBGLKQOFRSRBKH-UHFFFAOYSA-N 0 3 254.377 3.736 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(Br)cc1 ZINC000049855304 328380404 /nfs/dbraw/zinc/38/04/04/328380404.db2.gz QYWFFLJIPXHRHA-JTQLQIEISA-N 0 3 254.171 3.676 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C)c(C)o1 ZINC000282735372 328512216 /nfs/dbraw/zinc/51/22/16/328512216.db2.gz MVKCDCSBVGQIHF-NOLJZWGESA-N 0 3 263.381 3.528 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000090450956 326922188 /nfs/dbraw/zinc/92/21/88/326922188.db2.gz UUPSTEUNQKZAMQ-LBPRGKRZSA-N 0 3 283.799 3.592 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000557521642 327011212 /nfs/dbraw/zinc/01/12/12/327011212.db2.gz RABHTNBCHYCXFF-DFQSSKMNSA-N 0 3 291.394 3.679 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000059422218 327016761 /nfs/dbraw/zinc/01/67/61/327016761.db2.gz HIFSEVNPLNWPDD-VXGBXAGGSA-N 0 3 262.784 3.975 20 30 CHEDHN N#Cc1ccc(CNCCSCc2ccccc2)s1 ZINC000557654135 327019546 /nfs/dbraw/zinc/01/95/46/327019546.db2.gz WXWJYAJGSQHDKZ-UHFFFAOYSA-N 0 3 288.441 3.643 20 30 CHEDHN N#CCC[C@@H](C#N)CN[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000564860523 327028835 /nfs/dbraw/zinc/02/88/35/327028835.db2.gz RPWNLHQJFNBYTF-AVGNSLFASA-N 0 3 287.329 3.531 20 30 CHEDHN CC(C)(C#N)CCN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000558116442 327074638 /nfs/dbraw/zinc/07/46/38/327074638.db2.gz ISQIKJLFYDFYGK-GJZGRUSLSA-N 0 3 292.810 3.699 20 30 CHEDHN Cc1cccc(C2(CNC[C@@H](C#N)CCC#N)CCCC2)c1 ZINC000558506878 327099666 /nfs/dbraw/zinc/09/96/66/327099666.db2.gz RUTAKCIDIDELMH-QGZVFWFLSA-N 0 3 295.430 3.840 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000558579820 327107597 /nfs/dbraw/zinc/10/75/97/327107597.db2.gz ZVVNIQFBFKMCGZ-ISVAXAHUSA-N 0 3 297.185 3.720 20 30 CHEDHN C=CCOCCN[C@H](c1ccccc1Cl)C(C)C ZINC000559147381 327143286 /nfs/dbraw/zinc/14/32/86/327143286.db2.gz WFPHWQVCVDGNDM-HNNXBMFYSA-N 0 3 267.800 3.829 20 30 CHEDHN C=CCOCCN[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000559151722 327143467 /nfs/dbraw/zinc/14/34/67/327143467.db2.gz PZGORTISOKRVHY-ZDUSSCGKSA-N 0 3 289.375 3.603 20 30 CHEDHN C=C(C)COc1cc(CN[C@H]2CCC[C@H]2F)ccc1OC ZINC000559358643 327194698 /nfs/dbraw/zinc/19/46/98/327194698.db2.gz LRCBUKMIZRQKDY-CABCVRRESA-N 0 3 293.382 3.630 20 30 CHEDHN C[C@@H]1C[C@@H](NCC2(C#N)CC2)C[C@@H](c2ccccc2)C1 ZINC000555709780 327249216 /nfs/dbraw/zinc/24/92/16/327249216.db2.gz LMXJJXAVEHIMCD-BHYGNILZSA-N 0 3 268.404 3.852 20 30 CHEDHN C=CCCCNCc1csc(-c2cccs2)n1 ZINC000560025584 327278299 /nfs/dbraw/zinc/27/82/99/327278299.db2.gz QPPYKLWDIYVAGV-UHFFFAOYSA-N 0 3 264.419 3.927 20 30 CHEDHN C=CCCCCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000560186404 327288973 /nfs/dbraw/zinc/28/89/73/327288973.db2.gz MCQRTWFGJWVTFB-XFXZXTDPSA-N 0 3 284.447 3.674 20 30 CHEDHN C=CCC[C@H](NCCn1cnc2ccccc21)c1ccco1 ZINC000560527947 327318880 /nfs/dbraw/zinc/31/88/80/327318880.db2.gz GJXXRYOPQCTBEE-INIZCTEOSA-N 0 3 295.386 3.926 20 30 CHEDHN CC(C)c1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000561018012 327358895 /nfs/dbraw/zinc/35/88/95/327358895.db2.gz QGTCDRPLHXKEHJ-DOTOQJQBSA-N 0 3 256.393 3.934 20 30 CHEDHN N#Cc1csc(CNCc2cc3c(s2)CCCC3)c1 ZINC000531117561 327378431 /nfs/dbraw/zinc/37/84/31/327378431.db2.gz KZKRTJLBNUYIAG-UHFFFAOYSA-N 0 3 288.441 3.850 20 30 CHEDHN C=CCC1(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CCCC1 ZINC000449592791 327384475 /nfs/dbraw/zinc/38/44/75/327384475.db2.gz ZAAVYDGTNDVTKX-HOTGVXAUSA-N 0 3 292.467 3.502 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3c1cccc3F)CC2 ZINC000562080344 327447619 /nfs/dbraw/zinc/44/76/19/327447619.db2.gz ACYSUTXZRGGDIH-RBUKOAKNSA-N 0 3 292.357 3.962 20 30 CHEDHN C=CCCCCN[C@H](c1nc(C)cs1)C1CC1 ZINC000570364810 327586188 /nfs/dbraw/zinc/58/61/88/327586188.db2.gz PIJUJEMFQHVQFB-ZDUSSCGKSA-N 0 3 250.411 3.849 20 30 CHEDHN C=CC[C@@H](CC)N[C@@H](C)c1ncc(Br)s1 ZINC000281688643 327606747 /nfs/dbraw/zinc/60/67/47/327606747.db2.gz RXMMHXWBKKSIDN-DTWKUNHWSA-N 0 3 289.242 3.911 20 30 CHEDHN N#CCCCCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000532748443 328808653 /nfs/dbraw/zinc/80/86/53/328808653.db2.gz UWAOJPQPGMMIOK-UHFFFAOYSA-N 0 3 272.367 3.999 20 30 CHEDHN C=CCCOCCN[C@@H](CC)c1cc(Cl)ccc1OC ZINC000358380754 328882966 /nfs/dbraw/zinc/88/29/66/328882966.db2.gz LUTIOIIBGMHNKC-HNNXBMFYSA-N 0 3 297.826 3.982 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(Br)c(F)c1 ZINC000389980951 328964119 /nfs/dbraw/zinc/96/41/19/328964119.db2.gz IVRZRDOXMVUECM-IUCAKERBSA-N 0 3 272.161 3.813 20 30 CHEDHN CC(C)C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000307778474 329008150 /nfs/dbraw/zinc/00/81/50/329008150.db2.gz RBJBKDFFUKBXIJ-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN C=CCSCCN[C@H]1CCCOc2ccc(F)cc21 ZINC000180457991 329217250 /nfs/dbraw/zinc/21/72/50/329217250.db2.gz LWNCRUVNZOFNAT-AWEZNQCLSA-N 0 3 281.396 3.548 20 30 CHEDHN COc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185836169 329330158 /nfs/dbraw/zinc/33/01/58/329330158.db2.gz XJTQGLVCOJCCKR-BXUZGUMPSA-N 0 3 278.783 3.521 20 30 CHEDHN CCSc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000190949039 329403418 /nfs/dbraw/zinc/40/34/18/329403418.db2.gz LWLAHJKSUFKLPU-ZDUSSCGKSA-N 0 3 299.443 3.860 20 30 CHEDHN C=C[C@@](C)(CC)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000525955073 329682999 /nfs/dbraw/zinc/68/29/99/329682999.db2.gz HYGIVKHZSGDTDT-KRWDZBQOSA-N 0 3 285.391 3.652 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OC2CCC2)CC1 ZINC000419303215 329715866 /nfs/dbraw/zinc/71/58/66/329715866.db2.gz NWPOERNYHJVVFW-CQSZACIVSA-N 0 3 284.403 3.653 20 30 CHEDHN Cc1ccc(CNCc2ccc(C#N)s2)cc1C ZINC000421347944 329814898 /nfs/dbraw/zinc/81/48/98/329814898.db2.gz GKOXKIPEFUXLRP-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCOc3c(F)cccc32)C1 ZINC000248876687 329901485 /nfs/dbraw/zinc/90/14/85/329901485.db2.gz RCRSTSIKEGTWNP-IOASZLSFSA-N 0 3 288.366 3.711 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(OC)c2)cc1 ZINC000264936424 330062005 /nfs/dbraw/zinc/06/20/05/330062005.db2.gz DEOAGNCMPDTFSF-HNNXBMFYSA-N 0 3 295.382 3.558 20 30 CHEDHN C=CCC[C@H](NCc1csc([C@H](C)OC)n1)C1CC1 ZINC000269681667 330070270 /nfs/dbraw/zinc/07/02/70/330070270.db2.gz IGDJEDPORFMWNQ-FZMZJTMJSA-N 0 3 280.437 3.685 20 30 CHEDHN C#CC[C@H](NCc1ccc(COC)cc1)c1ccccc1 ZINC000270167260 330073702 /nfs/dbraw/zinc/07/37/02/330073702.db2.gz GYPROOFJXPGZFQ-IBGZPJMESA-N 0 3 279.383 3.687 20 30 CHEDHN C#CC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000273474210 330093203 /nfs/dbraw/zinc/09/32/03/330093203.db2.gz KHPHDLKQXOXBQW-KDOFPFPSSA-N 0 3 295.382 3.816 20 30 CHEDHN C#CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000273474210 330093205 /nfs/dbraw/zinc/09/32/05/330093205.db2.gz KHPHDLKQXOXBQW-KDOFPFPSSA-N 0 3 295.382 3.816 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)s2)c(C)c1 ZINC000421891182 330096909 /nfs/dbraw/zinc/09/69/09/330096909.db2.gz VWONFFKPCOBBGS-GFCCVEGCSA-N 0 3 286.400 3.788 20 30 CHEDHN C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000273503545 330097050 /nfs/dbraw/zinc/09/70/50/330097050.db2.gz QOEWFFGBMXVRMJ-OAHLLOKOSA-N 0 3 295.382 3.563 20 30 CHEDHN C=CCC[C@@H](NCCCC1(O)CCC1)c1ccco1 ZINC000421861057 330098000 /nfs/dbraw/zinc/09/80/00/330098000.db2.gz TUHZMZCXFFEHHI-CQSZACIVSA-N 0 3 263.381 3.572 20 30 CHEDHN COc1ccc([C@@H](NCC2(CC#N)CC2)C(C)C)c(F)c1 ZINC000421861446 330098125 /nfs/dbraw/zinc/09/81/25/330098125.db2.gz VWESYPWMGUDKTC-INIZCTEOSA-N 0 3 290.382 3.815 20 30 CHEDHN C=CCC[C@H](C)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274814421 330108153 /nfs/dbraw/zinc/10/81/53/330108153.db2.gz YSQHVDYDXVEHEN-SUMWQHHRSA-N 0 3 287.382 3.593 20 30 CHEDHN C=CCC[C@H](NCC(C)(C)C[C@H](C)O)c1ccco1 ZINC000276443494 330113706 /nfs/dbraw/zinc/11/37/06/330113706.db2.gz KONAXIYZVDZNIO-KBPBESRZSA-N 0 3 265.397 3.674 20 30 CHEDHN Cc1cc(OCc2cccc(F)c2C#N)c(C)c(C)n1 ZINC000580465743 330143171 /nfs/dbraw/zinc/14/31/71/330143171.db2.gz VMBVPRKASVOJSQ-UHFFFAOYSA-N 0 3 270.307 3.597 20 30 CHEDHN CCN(Cc1ccnc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000527535063 330263400 /nfs/dbraw/zinc/26/34/00/330263400.db2.gz USMIUZWUYNDYSS-OAHLLOKOSA-N 0 3 279.387 3.845 20 30 CHEDHN C=CC[C@H](CC)NCc1cc(OCC)c(OC)cc1F ZINC000527703086 330275202 /nfs/dbraw/zinc/27/52/02/330275202.db2.gz KEQKRPPUUSBWLX-ZDUSSCGKSA-N 0 3 281.371 3.677 20 30 CHEDHN N#C[C@H]1CC[C@H](N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000527991133 330299249 /nfs/dbraw/zinc/29/92/49/330299249.db2.gz HHHUVISEVJDCJE-XEGUGMAKSA-N 0 3 260.768 3.609 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2cscc2C(F)(F)F)C1 ZINC000424195879 330324607 /nfs/dbraw/zinc/32/46/07/330324607.db2.gz DSOCBJNXSSBFCO-WCBMZHEXSA-N 0 3 274.311 3.549 20 30 CHEDHN COc1ccc([C@H](C)NCC(C)(C)CC#N)c(Cl)c1 ZINC000424277482 330333545 /nfs/dbraw/zinc/33/35/45/330333545.db2.gz AMYYGCMYGTYONW-NSHDSACASA-N 0 3 280.799 3.939 20 30 CHEDHN C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1F ZINC000424285355 330334092 /nfs/dbraw/zinc/33/40/92/330334092.db2.gz DPVDGLDQDIDKHF-WPGHFRTFSA-N 0 3 272.367 3.784 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCCC2 ZINC000424316700 330339515 /nfs/dbraw/zinc/33/95/15/330339515.db2.gz BCRLIZVCVIXACX-SUNYJGFJSA-N 0 3 268.404 3.908 20 30 CHEDHN COc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)c(F)c1 ZINC000424317836 330339738 /nfs/dbraw/zinc/33/97/38/330339738.db2.gz CIQYHCQUEPDZPB-XTQGRXLLSA-N 0 3 288.366 3.567 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC)cc1Cl ZINC000424359309 330346755 /nfs/dbraw/zinc/34/67/55/330346755.db2.gz YIZZVBDDBZPIFL-LYRGGWFBSA-N 0 3 295.810 3.733 20 30 CHEDHN CCS[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428433203 330523196 /nfs/dbraw/zinc/52/31/96/330523196.db2.gz GTRUJPBWGDESCP-JKSUJKDBSA-N 0 3 292.423 3.851 20 30 CHEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1SC ZINC000430722289 330571397 /nfs/dbraw/zinc/57/13/97/330571397.db2.gz DZFKVWPVPHIJBB-GFCCVEGCSA-N 0 3 290.432 3.762 20 30 CHEDHN Cc1ccc(C)c2c1CCC[C@@H]2NCC1(CC#N)CC1 ZINC000430743107 330572438 /nfs/dbraw/zinc/57/24/38/330572438.db2.gz NUYDDXQKOICMAY-INIZCTEOSA-N 0 3 268.404 3.964 20 30 CHEDHN Cc1ccc(OC(F)F)c([C@@H](C)NCC2(CC#N)CC2)c1 ZINC000430757570 330573369 /nfs/dbraw/zinc/57/33/69/330573369.db2.gz WNJFZZKDFZGUEW-GFCCVEGCSA-N 0 3 294.345 3.941 20 30 CHEDHN C=CCCC[C@H](C)NCc1ccc(-c2cc[nH]n2)o1 ZINC000433340531 330626779 /nfs/dbraw/zinc/62/67/79/330626779.db2.gz PXFOUNTYBWZGAX-LBPRGKRZSA-N 0 3 259.353 3.504 20 30 CHEDHN Fc1ccc(C#CCNC2(c3ccccc3)CCC2)cc1 ZINC000438712211 330728634 /nfs/dbraw/zinc/72/86/34/330728634.db2.gz AWTJSSYXBQTFBK-UHFFFAOYSA-N 0 3 279.358 3.846 20 30 CHEDHN C=CC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441384528 330767365 /nfs/dbraw/zinc/76/73/65/330767365.db2.gz BVFJARASQKOMLY-GFCCVEGCSA-N 0 3 260.337 3.554 20 30 CHEDHN CCCOc1cc(C)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442762027 330781401 /nfs/dbraw/zinc/78/14/01/330781401.db2.gz DSIWIVAFEQFLBR-GOEBONIOSA-N 0 3 272.392 3.566 20 30 CHEDHN Cc1cc(CNCCO[C@H]2CCCC[C@@H]2C)ccc1C#N ZINC000443969132 330808117 /nfs/dbraw/zinc/80/81/17/330808117.db2.gz RKOGCDYBSYHAHY-KSSFIOAISA-N 0 3 286.419 3.552 20 30 CHEDHN CCOCc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443988471 330808608 /nfs/dbraw/zinc/80/86/08/330808608.db2.gz ZWIVAVZLGQCNEP-UHFFFAOYSA-N 0 3 294.398 3.693 20 30 CHEDHN C[C@H](NCCCCC(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000444678677 330818634 /nfs/dbraw/zinc/81/86/34/330818634.db2.gz XUTXQEVMRSVEBC-ZDUSSCGKSA-N 0 3 289.379 3.965 20 30 CHEDHN C=C(C)CNCc1ccc(Cl)c(Br)c1 ZINC000160316518 330862953 /nfs/dbraw/zinc/86/29/53/330862953.db2.gz ZHDNQHAIRHFSPB-UHFFFAOYSA-N 0 3 274.589 3.768 20 30 CHEDHN Cc1[nH]c2ccc(CN[C@H]3CCC[C@H](C#N)C3)cc2c1C ZINC000447533384 330868325 /nfs/dbraw/zinc/86/83/25/330868325.db2.gz RCKQKOWMSPRKMX-HOCLYGCPSA-N 0 3 281.403 3.957 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CSc3ccccc32)C1 ZINC000447539541 330868966 /nfs/dbraw/zinc/86/89/66/330868966.db2.gz HBDURTINCVIAHA-MBNYWOFBSA-N 0 3 258.390 3.505 20 30 CHEDHN CC[C@H](NC[C@H](C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000447602446 330873228 /nfs/dbraw/zinc/87/32/28/330873228.db2.gz ULZOEMNMHQVODO-GWCFXTLKSA-N 0 3 270.298 3.797 20 30 CHEDHN C=CCCOCCNCc1cc2ccccc2cc1OC ZINC000449203459 330905970 /nfs/dbraw/zinc/90/59/70/330905970.db2.gz HNDUBVAUPOAQAX-UHFFFAOYSA-N 0 3 285.387 3.531 20 30 CHEDHN C=CCCCC[C@H](C)NCc1c(C)onc1CC ZINC000449337484 330915862 /nfs/dbraw/zinc/91/58/62/330915862.db2.gz BMLRCCIQAAHSTA-LBPRGKRZSA-N 0 3 250.386 3.770 20 30 CHEDHN C=CC(C)(C)CNCc1c(C(C)C)nc2sc(C)nn12 ZINC000449486207 330930022 /nfs/dbraw/zinc/93/00/22/330930022.db2.gz QZRMWZYTNGNKDT-UHFFFAOYSA-N 0 3 292.452 3.524 20 30 CHEDHN COc1cccc([C@H]2C[C@H](NCc3cc(C#N)cs3)C2)c1 ZINC000449620638 330940472 /nfs/dbraw/zinc/94/04/72/330940472.db2.gz WJAJKXBEWJJOCE-SHTZXODSSA-N 0 3 298.411 3.664 20 30 CHEDHN C=C(CC)CNCc1ccccc1OCc1ccncc1 ZINC000449735393 330947024 /nfs/dbraw/zinc/94/70/24/330947024.db2.gz UDEOBNYANYPBRA-UHFFFAOYSA-N 0 3 282.387 3.716 20 30 CHEDHN C[C@H]1C[C@H](c2ccccc2)CCN1CC1(C#N)CCC1 ZINC000450899407 331005783 /nfs/dbraw/zinc/00/57/83/331005783.db2.gz DHVLRPGQOXXHRA-DOTOQJQBSA-N 0 3 268.404 3.948 20 30 CHEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000450978881 331009789 /nfs/dbraw/zinc/00/97/89/331009789.db2.gz GOXNPXOQFNDFAZ-RCCFBDPRSA-N 0 3 280.415 3.948 20 30 CHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCC(F)(F)C1 ZINC000450983233 331010110 /nfs/dbraw/zinc/01/01/10/331010110.db2.gz PCZUSXYVQLPMRX-CYBMUJFWSA-N 0 3 299.361 3.585 20 30 CHEDHN C=CCOCCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451969826 331048850 /nfs/dbraw/zinc/04/88/50/331048850.db2.gz KZLSBXIULYYIHG-INIZCTEOSA-N 0 3 281.346 3.694 20 30 CHEDHN COCCN(CCCCC#N)Cc1ccc(F)c(Cl)c1 ZINC000451972086 331049099 /nfs/dbraw/zinc/04/90/99/331049099.db2.gz FFDLYWITXOEAFG-UHFFFAOYSA-N 0 3 298.789 3.621 20 30 CHEDHN C[C@H](CCCc1cccnc1)NCc1cc(C#N)ccc1F ZINC000453144163 331093745 /nfs/dbraw/zinc/09/37/45/331093745.db2.gz FRCJJMJFVDXVNY-CQSZACIVSA-N 0 3 297.377 3.593 20 30 CHEDHN Cc1cc([C@@H](C)NCCOc2ccc(C#N)cc2)cs1 ZINC000453151035 331094496 /nfs/dbraw/zinc/09/44/96/331094496.db2.gz NKKVRVDCQAEUFV-CYBMUJFWSA-N 0 3 286.400 3.658 20 30 CHEDHN C[C@@H](NCCCC(C)(F)F)c1ccc(C#N)cc1F ZINC000453237137 331105215 /nfs/dbraw/zinc/10/52/15/331105215.db2.gz ODYIXUBJMISMDK-SNVBAGLBSA-N 0 3 270.298 3.783 20 30 CHEDHN COc1cc(CN[C@H](C)c2csc(C)c2)ccc1C#N ZINC000453244665 331106696 /nfs/dbraw/zinc/10/66/96/331106696.db2.gz FCAIESKDQBIIEE-GFCCVEGCSA-N 0 3 286.400 3.788 20 30 CHEDHN C=CCC[C@@H](NC[C@H](CCC)OC)c1ccco1 ZINC000453260452 331108554 /nfs/dbraw/zinc/10/85/54/331108554.db2.gz YDUWDWYETNQZIW-UONOGXRCSA-N 0 3 251.370 3.692 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000453338200 331118709 /nfs/dbraw/zinc/11/87/09/331118709.db2.gz BAXOUPKHYIUFIU-GFCCVEGCSA-N 0 3 290.798 3.538 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1nccc2ccccc21 ZINC000453356401 331121623 /nfs/dbraw/zinc/12/16/23/331121623.db2.gz OEHLOGCVSGKRMQ-XYPHTWIQSA-N 0 3 282.387 3.619 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1F ZINC000453379973 331125548 /nfs/dbraw/zinc/12/55/48/331125548.db2.gz KFFIGUGCQPSNRC-GOSISDBHSA-N 0 3 295.361 3.723 20 30 CHEDHN C=CCC1(CN[C@@H](c2nnc[nH]2)c2ccccc2)CCCC1 ZINC000453384902 331126449 /nfs/dbraw/zinc/12/64/49/331126449.db2.gz UGMVICZDZZHMNP-MRXNPFEDSA-N 0 3 296.418 3.620 20 30 CHEDHN C=CC[C@H](C)NCc1sc(C)cc1Br ZINC000453587055 331135141 /nfs/dbraw/zinc/13/51/41/331135141.db2.gz KHDFAFZDZNJLOK-QMMMGPOBSA-N 0 3 274.227 3.873 20 30 CHEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000456649042 331198305 /nfs/dbraw/zinc/19/83/05/331198305.db2.gz BZRVBGVKGHRSSF-MSOLQXFVSA-N 0 3 298.430 3.844 20 30 CHEDHN C=C(C)C[N@@H+](CC)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459309644 331275660 /nfs/dbraw/zinc/27/56/60/331275660.db2.gz YVVTYOAFJCQHFN-UHFFFAOYSA-N 0 3 283.799 3.842 20 30 CHEDHN C=C(C)C[N@H+](CC)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459309644 331275661 /nfs/dbraw/zinc/27/56/61/331275661.db2.gz YVVTYOAFJCQHFN-UHFFFAOYSA-N 0 3 283.799 3.842 20 30 CHEDHN CC(C)(CC#N)CNC/C=C\c1ccc(F)c(F)c1 ZINC000459683499 331292815 /nfs/dbraw/zinc/29/28/15/331292815.db2.gz BBFHVXGWVQMBHV-ARJAWSKDSA-N 0 3 264.319 3.507 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000459665241 331292985 /nfs/dbraw/zinc/29/29/85/331292985.db2.gz KFAQZGWWFCNTAH-ZHSDAYTOSA-N 0 3 278.758 3.617 20 30 CHEDHN CC(C)(CC#N)CNCc1cccc(C(F)(F)F)c1 ZINC000459691781 331294658 /nfs/dbraw/zinc/29/46/58/331294658.db2.gz LRUKQMKLNUBAIV-UHFFFAOYSA-N 0 3 270.298 3.735 20 30 CHEDHN COc1ccc2ccccc2c1CNCC(C)(C)CC#N ZINC000459704368 331295133 /nfs/dbraw/zinc/29/51/33/331295133.db2.gz XLWMHSBFMXIJRP-UHFFFAOYSA-N 0 3 282.387 3.878 20 30 CHEDHN C=CCC[C@H](CC)N[C@@H](COC)c1ccc(CC)o1 ZINC000462114148 331317337 /nfs/dbraw/zinc/31/73/37/331317337.db2.gz ZNDACFLNJDCPDC-ZFWWWQNUSA-N 0 3 265.397 3.864 20 30 CHEDHN CC#CCCN(CC)Cc1cccc(Br)c1 ZINC000462314108 331319248 /nfs/dbraw/zinc/31/92/48/331319248.db2.gz NXDNAHSDTCMWNB-UHFFFAOYSA-N 0 3 280.209 3.684 20 30 CHEDHN CC#CCCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000462327915 331319687 /nfs/dbraw/zinc/31/96/87/331319687.db2.gz PWBMTFKEYYHBGC-GDBMZVCRSA-N 0 3 259.418 3.578 20 30 CHEDHN C=CCCCCN[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000471585138 331511359 /nfs/dbraw/zinc/51/13/59/331511359.db2.gz KXEXIONCSJNFJP-AWEZNQCLSA-N 0 3 284.407 3.583 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(OCC2CC2)cc1 ZINC000483143304 331860336 /nfs/dbraw/zinc/86/03/36/331860336.db2.gz KHHOHMSCIIQNMW-UHFFFAOYSA-N 0 3 257.377 3.649 20 30 CHEDHN Cc1ccc2ccccc2c1CN1CCC(C#N)CC1 ZINC000483422734 331874241 /nfs/dbraw/zinc/87/42/41/331874241.db2.gz RKNOQMNEMADYGM-UHFFFAOYSA-N 0 3 264.372 3.884 20 30 CHEDHN C=CCCN(C)Cc1cncc(OCc2ccccc2)c1 ZINC000488994943 332036931 /nfs/dbraw/zinc/03/69/31/332036931.db2.gz SUQRWDDLZNZUKW-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C2CCCCC2)CC1 ZINC000489103851 332041426 /nfs/dbraw/zinc/04/14/26/332041426.db2.gz PLPFXEFIXLNYFP-INIZCTEOSA-N 0 3 297.446 3.570 20 30 CHEDHN C=C[C@@H]1CCCCN1C[C@@H]1CCC2(CCCCC2)O1 ZINC000489451628 332053492 /nfs/dbraw/zinc/05/34/92/332053492.db2.gz UNWLEZMECNWIIO-CVEARBPZSA-N 0 3 263.425 3.909 20 30 CHEDHN C=C[C@H]1CCCCN1CCCc1nc(-c2ccccc2)no1 ZINC000489473228 332054946 /nfs/dbraw/zinc/05/49/46/332054946.db2.gz JDZKXPTUICTDDU-INIZCTEOSA-N 0 3 297.402 3.710 20 30 CHEDHN C[C@@H]1C[C@H](CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000490403889 332088522 /nfs/dbraw/zinc/08/85/22/332088522.db2.gz QIXXGFFFGSNMOG-FPAYPSAMSA-N 0 3 298.430 3.573 20 30 CHEDHN C=CCOc1ccccc1CNC1CC(OC(C)(C)C)C1 ZINC000492162639 332385089 /nfs/dbraw/zinc/38/50/89/332385089.db2.gz VSBAXWLAEDLLOV-UHFFFAOYSA-N 0 3 289.419 3.687 20 30 CHEDHN C=CCCCCCN[C@@H](CO)c1cccc(Cl)c1F ZINC000499936511 332596021 /nfs/dbraw/zinc/59/60/21/332596021.db2.gz ACBJZIGDIISARB-AWEZNQCLSA-N 0 3 285.790 3.849 20 30 CHEDHN C[C@H](NC[C@@H](C#N)CCC#N)[C@@H](C)C1CCCCC1 ZINC000248557002 334305808 /nfs/dbraw/zinc/30/58/08/334305808.db2.gz IJXCDKKUCISYMX-QLFBSQMISA-N 0 3 261.413 3.624 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000248827383 334318490 /nfs/dbraw/zinc/31/84/90/334318490.db2.gz GPTYOYFWBAMYGC-DJSGYFEHSA-N 0 3 274.795 3.999 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000248827397 334318564 /nfs/dbraw/zinc/31/85/64/334318564.db2.gz GPTYOYFWBAMYGC-XFJVYGCCSA-N 0 3 274.795 3.999 20 30 CHEDHN C[C@@H](NC[C@H](C)Oc1ccccc1)c1ccc(C#N)cc1F ZINC000512647270 332977948 /nfs/dbraw/zinc/97/79/48/332977948.db2.gz HEBAUSKIJQLCKQ-UONOGXRCSA-N 0 3 298.361 3.815 20 30 CHEDHN CCC1(CN[C@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000512659581 332978440 /nfs/dbraw/zinc/97/84/40/332978440.db2.gz IGLQEZWSLGLCCL-GFCCVEGCSA-N 0 3 260.356 3.928 20 30 CHEDHN CO[C@]1(C)C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000512662685 332978598 /nfs/dbraw/zinc/97/85/98/332978598.db2.gz ZNIAGGLRTPBDOZ-RGYTYGDFSA-N 0 3 290.382 3.552 20 30 CHEDHN COc1ccc(CCN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512660700 332978604 /nfs/dbraw/zinc/97/86/04/332978604.db2.gz OOGWDUQVFLCCLC-CYBMUJFWSA-N 0 3 298.361 3.599 20 30 CHEDHN C=C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000513448010 333019951 /nfs/dbraw/zinc/01/99/51/333019951.db2.gz QHHZFFGZCLBLMA-UHFFFAOYSA-N 0 3 255.283 3.857 20 30 CHEDHN C=CCN(Cc1ccc(Br)cc1)C(C)C ZINC000516746585 333081591 /nfs/dbraw/zinc/08/15/91/333081591.db2.gz WTNCGIDDMQRRSX-UHFFFAOYSA-N 0 3 268.198 3.846 20 30 CHEDHN C=C(C)[C@H](N[C@@H](COC)C1CC1)c1ccc(F)c(F)c1 ZINC000186448434 333161217 /nfs/dbraw/zinc/16/12/17/333161217.db2.gz HIZFBWRONOURDN-HOTGVXAUSA-N 0 3 281.346 3.597 20 30 CHEDHN CN(Cc1ccc(Cl)cc1C#N)C(C1CC1)C1CC1 ZINC000186894669 333166380 /nfs/dbraw/zinc/16/63/80/333166380.db2.gz XJBZKNSRESEALD-UHFFFAOYSA-N 0 3 274.795 3.832 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOc1ccccc1 ZINC000189341087 333190551 /nfs/dbraw/zinc/19/05/51/333190551.db2.gz WTNYLWARTRRALT-OAHLLOKOSA-N 0 3 280.371 3.630 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@@H]1c1ccccc1 ZINC000191403275 333219236 /nfs/dbraw/zinc/21/92/36/333219236.db2.gz AHRXFFJKCIJCTJ-BEFAXECRSA-N 0 3 293.414 3.522 20 30 CHEDHN C=CCCCCCN[C@H](COC)c1ccc(C)o1 ZINC000193547814 333252907 /nfs/dbraw/zinc/25/29/07/333252907.db2.gz SJJLYIWGYLAZPK-CQSZACIVSA-N 0 3 251.370 3.612 20 30 CHEDHN C=CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000522269005 333277301 /nfs/dbraw/zinc/27/73/01/333277301.db2.gz JZMNATSKBBZDTN-UHFFFAOYSA-N 0 3 296.370 3.826 20 30 CHEDHN C=CCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000194823962 333277918 /nfs/dbraw/zinc/27/79/18/333277918.db2.gz VPACLNQSNZWAIS-UHFFFAOYSA-N 0 3 292.382 3.755 20 30 CHEDHN CC1(C)CCCC[C@@H]1NCc1cccc(C#N)c1F ZINC000229594909 333306848 /nfs/dbraw/zinc/30/68/48/333306848.db2.gz VHLLASWGJZAKQZ-AWEZNQCLSA-N 0 3 260.356 3.756 20 30 CHEDHN CC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000229750422 333309139 /nfs/dbraw/zinc/30/91/39/333309139.db2.gz NKEVALDWWCHLRW-ZDUSSCGKSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCOc1ccccc1CNC[C@H](C)c1nccs1 ZINC000230693654 333321019 /nfs/dbraw/zinc/32/10/19/333321019.db2.gz DWDBYCBBFIJFRG-ZDUSSCGKSA-N 0 3 288.416 3.601 20 30 CHEDHN C=CCNC(=O)CN(CCCC)[C@H](CC)c1ccccc1 ZINC000303670958 333345309 /nfs/dbraw/zinc/34/53/09/333345309.db2.gz YPQRSCDCYDNPQH-QGZVFWFLSA-N 0 3 288.435 3.542 20 30 CHEDHN CCC[C@@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000233297511 333351087 /nfs/dbraw/zinc/35/10/87/333351087.db2.gz MRQKGIMWXJVUMQ-MRXNPFEDSA-N 0 3 272.392 3.721 20 30 CHEDHN CCCN(Cc1ccccc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000524892972 333392168 /nfs/dbraw/zinc/39/21/68/333392168.db2.gz VJPMJZUJFQUZNS-RCCFBDPRSA-N 0 3 298.430 3.584 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000525122484 333399117 /nfs/dbraw/zinc/39/91/17/333399117.db2.gz HJCVALJTGHCWBG-OLZOCXBDSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H]1C[C@@H]1c1ccc(CN2CCC(CCC#N)CC2)o1 ZINC000575989638 335139209 /nfs/dbraw/zinc/13/92/09/335139209.db2.gz UTSVQLNOPLBBAQ-BBRMVZONSA-N 0 3 272.392 3.919 20 30 CHEDHN C=CC1CCN(Cc2cccc(OC)c2OC(C)C)CC1 ZINC000539828597 333695663 /nfs/dbraw/zinc/69/56/63/333695663.db2.gz JTALXSWYIKFSEM-UHFFFAOYSA-N 0 3 289.419 3.880 20 30 CHEDHN C=CCOc1cccc(CN2CCC(C(F)F)CC2)c1 ZINC000539834501 333696785 /nfs/dbraw/zinc/69/67/85/333696785.db2.gz DCOIXAGOFLENOT-UHFFFAOYSA-N 0 3 281.346 3.729 20 30 CHEDHN CO[C@@H](C)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541089073 333761917 /nfs/dbraw/zinc/76/19/17/333761917.db2.gz ICJNTCNYFUTCFK-LSDHHAIUSA-N 0 3 294.398 3.911 20 30 CHEDHN C=CCCC[C@@H](C)N[C@@H](COC)c1ccc(CC)o1 ZINC000541628616 333784856 /nfs/dbraw/zinc/78/48/56/333784856.db2.gz HQCPMLROHRVZGW-HIFRSBDPSA-N 0 3 265.397 3.864 20 30 CHEDHN C[C@H](NCc1ccccc1C#N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000541688150 333786872 /nfs/dbraw/zinc/78/68/72/333786872.db2.gz SQNULMHLABQLBK-CKFHNAJUSA-N 0 3 292.382 3.601 20 30 CHEDHN CC(C)(NCc1ccc(CC#N)cc1)c1cccc(F)c1 ZINC000542253652 333818962 /nfs/dbraw/zinc/81/89/62/333818962.db2.gz MOVYTGMAYKRUDU-UHFFFAOYSA-N 0 3 282.362 3.917 20 30 CHEDHN CC(C)(NCC#Cc1ccc(F)cc1)c1cccs1 ZINC000542573466 333832642 /nfs/dbraw/zinc/83/26/42/333832642.db2.gz JDKSXKMGNOCZLL-UHFFFAOYSA-N 0 3 273.376 3.764 20 30 CHEDHN C[C@@H]1C[C@H]1c1ccc(CN2CCC(CC#N)CC2)o1 ZINC000542851737 333845336 /nfs/dbraw/zinc/84/53/36/333845336.db2.gz ZCZJRHVPCTVBJR-IUODEOHRSA-N 0 3 258.365 3.529 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000174983686 335170482 /nfs/dbraw/zinc/17/04/82/335170482.db2.gz FLAMCYHFTMJDKH-KSSFIOAISA-N 0 3 262.356 3.751 20 30 CHEDHN CC[C@@H]1Cc2ccccc2CN1CCC(C)(C)C#N ZINC000546638966 334042802 /nfs/dbraw/zinc/04/28/02/334042802.db2.gz CARCXBHLZOLQSY-MRXNPFEDSA-N 0 3 256.393 3.763 20 30 CHEDHN C[C@H](NCc1ccc(C#N)o1)[C@@H](C)C1CCCCC1 ZINC000237587639 334091824 /nfs/dbraw/zinc/09/18/24/334091824.db2.gz IFXGBLQXXRKPQU-OLZOCXBDSA-N 0 3 260.381 3.846 20 30 CHEDHN CSC[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000135436439 334129882 /nfs/dbraw/zinc/12/98/82/334129882.db2.gz XNUVMGATDAMKGO-OAHLLOKOSA-N 0 3 279.836 3.519 20 30 CHEDHN C[C@@H]1[C@H](C(F)(F)F)CCCN1CCC(C)(C)C#N ZINC000548496963 334160555 /nfs/dbraw/zinc/16/05/55/334160555.db2.gz YYCAUKAVFXCMCN-GHMZBOCLSA-N 0 3 262.319 3.589 20 30 CHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC(C)(C)C ZINC000576265910 335179594 /nfs/dbraw/zinc/17/95/94/335179594.db2.gz GJUXEHQWOZXOIH-UHFFFAOYSA-N 0 3 263.429 3.888 20 30 CHEDHN C=CCOc1ccccc1CNCC(C)(C)C(F)(F)F ZINC000548860602 334176928 /nfs/dbraw/zinc/17/69/28/334176928.db2.gz OAIHVLULXKTVDX-UHFFFAOYSA-N 0 3 287.325 3.930 20 30 CHEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc(C(C)(C)C)cc1 ZINC000549140384 334186301 /nfs/dbraw/zinc/18/63/01/334186301.db2.gz HOCHVUVEZCAJBH-XJKSGUPXSA-N 0 3 286.419 3.957 20 30 CHEDHN C=CCOCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000549345327 334190471 /nfs/dbraw/zinc/19/04/71/334190471.db2.gz WSNZBTUMKZOCCY-OAHLLOKOSA-N 0 3 265.784 3.680 20 30 CHEDHN CC(C)Oc1ccccc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000549536215 334196770 /nfs/dbraw/zinc/19/67/70/334196770.db2.gz PJLZHLSPQPFJOZ-KKUMJFAQSA-N 0 3 272.392 3.817 20 30 CHEDHN C=CCOCCN1CCC(c2cccc(Cl)c2)CC1 ZINC000549614581 334199764 /nfs/dbraw/zinc/19/97/64/334199764.db2.gz HRYRDIHHMUGPIQ-UHFFFAOYSA-N 0 3 279.811 3.722 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CCC(OCC3CCCCC3)CC2)C1 ZINC000549860625 334207231 /nfs/dbraw/zinc/20/72/31/334207231.db2.gz PGEMPARJRZZDHV-SJORKVTESA-N 0 3 290.451 3.740 20 30 CHEDHN C=CCOCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000549929661 334209471 /nfs/dbraw/zinc/20/94/71/334209471.db2.gz KPKRQYRAKKJCEK-APHBMKBZSA-N 0 3 279.811 3.829 20 30 CHEDHN CCO[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C1(C)C ZINC000245874506 334222367 /nfs/dbraw/zinc/22/23/67/334222367.db2.gz JVPPQJGCLUGWAG-BRWVUGGUSA-N 0 3 286.419 3.825 20 30 CHEDHN CCO[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C12CCC2 ZINC000245937281 334224718 /nfs/dbraw/zinc/22/47/18/334224718.db2.gz UEDZHVLDQHRJTP-FGTMMUONSA-N 0 3 298.430 3.969 20 30 CHEDHN C=C(CC)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000551419151 334249953 /nfs/dbraw/zinc/24/99/53/334249953.db2.gz LGUINGCDGGJXIE-AWEZNQCLSA-N 0 3 295.224 3.851 20 30 CHEDHN CC(C)CCO[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000083246913 334255937 /nfs/dbraw/zinc/25/59/37/334255937.db2.gz UUUMFRQTWQNCLI-MAUKXSAKSA-N 0 3 286.419 3.756 20 30 CHEDHN C=C(C)CCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000551736454 334258830 /nfs/dbraw/zinc/25/88/30/334258830.db2.gz FTZDNFQGFSAODT-SFHVURJKSA-N 0 3 271.404 3.923 20 30 CHEDHN CC(C)CCO[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246560849 334264245 /nfs/dbraw/zinc/26/42/45/334264245.db2.gz UUUMFRQTWQNCLI-CRAIPNDOSA-N 0 3 286.419 3.756 20 30 CHEDHN CCc1ccc([C@H]2CCN(Cc3ccc(C#N)o3)C2)cc1 ZINC000552273193 334310967 /nfs/dbraw/zinc/31/09/67/334310967.db2.gz WTVNFMSPAQWLLZ-INIZCTEOSA-N 0 3 280.371 3.703 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000249160930 334329260 /nfs/dbraw/zinc/32/92/60/334329260.db2.gz YVHVAIYHVWJOLG-XZJROXQQSA-N 0 3 281.346 3.597 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000090451325 334361491 /nfs/dbraw/zinc/36/14/91/334361491.db2.gz UELYNABUXCCECP-ZDUSSCGKSA-N 0 3 295.448 3.660 20 30 CHEDHN N#CCC[C@@H](C#N)CNCC1CCC(c2ccccc2)CC1 ZINC000554551459 334437304 /nfs/dbraw/zinc/43/73/04/334437304.db2.gz JFOHOQIEWHUIHS-HFCFLWKCSA-N 0 3 295.430 3.994 20 30 CHEDHN Cc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C2 ZINC000564428571 334508021 /nfs/dbraw/zinc/50/80/21/334508021.db2.gz XXUNDNKZWJEFDM-KSSFIOAISA-N 0 3 292.382 3.521 20 30 CHEDHN C=CC[C@H](C)NCc1nc(C(C)C)n2ccccc12 ZINC000565080181 334537692 /nfs/dbraw/zinc/53/76/92/334537692.db2.gz DWAUVLYHWGERBA-ZDUSSCGKSA-N 0 3 257.381 3.512 20 30 CHEDHN COc1nc2ccccc2cc1CNCC(C)(C)CCC#N ZINC000565797259 334598106 /nfs/dbraw/zinc/59/81/06/334598106.db2.gz OBNPKRYKCTZILI-UHFFFAOYSA-N 0 3 297.402 3.663 20 30 CHEDHN C=CCCCCNCc1nc2ccccc2n1CC ZINC000311593076 334735762 /nfs/dbraw/zinc/73/57/62/334735762.db2.gz DMWYNTLOFSDMSW-UHFFFAOYSA-N 0 3 257.381 3.502 20 30 CHEDHN CCN(Cc1ccc(C)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000576659902 335232254 /nfs/dbraw/zinc/23/22/54/335232254.db2.gz VZIZQASXFCCKCT-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN CCN(Cc1ccc(C#N)c(C)c1)[C@@H](C)c1cccnc1 ZINC000576743831 335242036 /nfs/dbraw/zinc/24/20/36/335242036.db2.gz HLMKVWRFAYSZAT-HNNXBMFYSA-N 0 3 279.387 3.845 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000577215604 335324029 /nfs/dbraw/zinc/32/40/29/335324029.db2.gz BVELDHOKVLHIOV-GUDVDZBRSA-N 0 3 295.430 3.821 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000580691336 335328009 /nfs/dbraw/zinc/32/80/09/335328009.db2.gz BCLYUHOVSQPYHH-HUUCEWRRSA-N 0 3 274.795 3.869 20 30 CHEDHN COc1ccsc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000577372749 335344143 /nfs/dbraw/zinc/34/41/43/335344143.db2.gz OJNSMDIAIMKSPP-GFCCVEGCSA-N 0 3 286.400 3.674 20 30 CHEDHN Cc1ccnc([C@@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000577409182 335349859 /nfs/dbraw/zinc/34/98/59/335349859.db2.gz RTBGOOMYSCUNHR-CRAIPNDOSA-N 0 3 291.398 3.812 20 30 CHEDHN C=CCN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182561248 335826843 /nfs/dbraw/zinc/82/68/43/335826843.db2.gz SZPQMUBLPMINRF-CQSZACIVSA-N 0 3 280.371 3.776 20 30 CHEDHN COc1ccc([C@H](CCC#N)NCCCC2CC2)cc1 ZINC000581111506 336009556 /nfs/dbraw/zinc/00/95/56/336009556.db2.gz HFOCOJMJOMLPES-KRWDZBQOSA-N 0 3 272.392 3.820 20 30 CHEDHN C=CCCC[C@@H](C)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194410216 336020284 /nfs/dbraw/zinc/02/02/84/336020284.db2.gz YLLOBIBEPHIJQE-CQSZACIVSA-N 0 3 269.392 3.911 20 30 CHEDHN N#CCC[C@H](C#N)CNC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000581300590 336041871 /nfs/dbraw/zinc/04/18/71/336041871.db2.gz WEVMWXZLVZYPJA-BHIYHBOVSA-N 0 3 295.430 3.994 20 30 CHEDHN C=CCC(C)(C)CNCc1ccc(Br)o1 ZINC000381882272 336075402 /nfs/dbraw/zinc/07/54/02/336075402.db2.gz OGWZAAZHCDSXKT-UHFFFAOYSA-N 0 3 272.186 3.734 20 30 CHEDHN C=CCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000001595287 336121439 /nfs/dbraw/zinc/12/14/39/336121439.db2.gz YSDLKZLLQIOXFT-SFHVURJKSA-N 0 3 267.372 3.755 20 30 CHEDHN CN(CCNc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000386806208 336179838 /nfs/dbraw/zinc/17/98/38/336179838.db2.gz QZTHSYOMQVGBNK-UHFFFAOYSA-N 0 3 299.805 3.756 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2ccc(Cl)cc21 ZINC000581985301 336184844 /nfs/dbraw/zinc/18/48/44/336184844.db2.gz ARTCXUNQMMJDKN-XHSDSOJGSA-N 0 3 277.795 3.651 20 30 CHEDHN Cc1c(CNC(=O)C(C)C#N)sc2ccc(Cl)cc12 ZINC000336167502 533862605 /nfs/dbraw/zinc/86/26/05/533862605.db2.gz ILWUUTXBXHMYHY-QMMMGPOBSA-N 0 3 292.791 3.639 20 30 CHEDHN Cc1cc2cc(CNCc3cccc(C#N)c3)ccc2[nH]1 ZINC000353125446 534089328 /nfs/dbraw/zinc/08/93/28/534089328.db2.gz LFXDMKTVHKETSH-UHFFFAOYSA-N 0 3 275.355 3.638 20 30 CHEDHN C=CCCC[C@@H](C)NCc1nc(CCC)cs1 ZINC000494192423 517325305 /nfs/dbraw/zinc/32/53/05/517325305.db2.gz QUVVQVLFXKIIOH-GFCCVEGCSA-N 0 3 252.427 3.930 20 30 CHEDHN CC1(C)Cc2cc(CNCc3cccc(C#N)c3)ccc2O1 ZINC000103340247 520579659 /nfs/dbraw/zinc/57/96/59/520579659.db2.gz LCIDVRMQVTZHRZ-UHFFFAOYSA-N 0 3 292.382 3.562 20 30 CHEDHN N#CCCCNCc1cccc(-c2ccccc2)c1 ZINC000344317501 534614239 /nfs/dbraw/zinc/61/42/39/534614239.db2.gz AOZHIRIPBUIKTD-UHFFFAOYSA-N 0 3 250.345 3.747 20 30 CHEDHN COc1cc(CN[C@@H](C)c2sccc2C)ccc1C#N ZINC000353650496 522476701 /nfs/dbraw/zinc/47/67/01/522476701.db2.gz RCHUYQOEYIKMAC-LBPRGKRZSA-N 0 3 286.400 3.788 20 30 CHEDHN COc1cc(CN[C@@H]2CCCc3sccc32)ccc1C#N ZINC000235007688 522477290 /nfs/dbraw/zinc/47/72/90/522477290.db2.gz LPZQHHPFRNTTIS-OAHLLOKOSA-N 0 3 298.411 3.796 20 30 CHEDHN CC[C@@H](NCc1ccc(C)nc1)c1ccc(C#N)cc1 ZINC000278349376 522874298 /nfs/dbraw/zinc/87/42/98/522874298.db2.gz YXJZYLKHKPZWSG-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000338563979 523952303 /nfs/dbraw/zinc/95/23/03/523952303.db2.gz OVEJJEUCTFTXFS-SCLBCKFNSA-N 0 3 298.361 3.736 20 30 CHEDHN C[C@H](NC[C@@]1(C)CCCS1)c1ccc(C#N)cc1F ZINC000358580390 525400691 /nfs/dbraw/zinc/40/06/91/525400691.db2.gz XRFCBEGAHYLISM-XHDPSFHLSA-N 0 3 278.396 3.634 20 30 CHEDHN Cc1ccsc1[C@H](C)NCc1cccc(C#N)c1 ZINC000070091577 525886359 /nfs/dbraw/zinc/88/63/59/525886359.db2.gz FQDOGYUMFDTFMC-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccncc2)CC1 ZINC000191603749 526043818 /nfs/dbraw/zinc/04/38/18/526043818.db2.gz SDBOSPWEDDEAMS-OAHLLOKOSA-N 0 3 291.398 3.894 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@@H](C)C1 ZINC000289369737 526073217 /nfs/dbraw/zinc/07/32/17/526073217.db2.gz BHBKDMNAPRYYMA-NWDGAFQWSA-N 0 3 264.319 3.596 20 30 CHEDHN C=CCN(CC[C@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000347399971 526308057 /nfs/dbraw/zinc/30/80/57/526308057.db2.gz MYTUXSBBADEHSA-GOSISDBHSA-N 0 3 284.403 3.505 20 30 CHEDHN N#Cc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000084138519 526608151 /nfs/dbraw/zinc/60/81/51/526608151.db2.gz QLFZCHDWGCVWHP-UHFFFAOYSA-N 0 3 282.309 3.723 20 30 CHEDHN C=C(C)CNCc1cc(Br)c(Cl)s1 ZINC000191696852 526624120 /nfs/dbraw/zinc/62/41/20/526624120.db2.gz BVWXWDOLGZQRPK-UHFFFAOYSA-N 0 3 280.618 3.830 20 30 CHEDHN N#Cc1cccc(C2(N[C@@H]3CCc4ccccc43)CC2)c1 ZINC000272311757 526700277 /nfs/dbraw/zinc/70/02/77/526700277.db2.gz TXNWONPEPKFKAL-GOSISDBHSA-N 0 3 274.367 3.824 20 30 CHEDHN C=C1CCN(CC[C@H](C)OCc2ccccc2)CC1 ZINC000354884415 526902703 /nfs/dbraw/zinc/90/27/03/526902703.db2.gz SHLYEELSBPBPLS-INIZCTEOSA-N 0 3 259.393 3.634 20 30 CHEDHN C=C1CCN(Cc2cc(C)nc3ccccc23)CC1 ZINC000353328226 526904781 /nfs/dbraw/zinc/90/47/81/526904781.db2.gz HMRVPCMLPIEUFS-UHFFFAOYSA-N 0 3 252.361 3.695 20 30 CHEDHN C=CCSCCNCc1ccc(CSC(F)F)o1 ZINC000105462440 527002878 /nfs/dbraw/zinc/00/28/78/527002878.db2.gz YSMUAXUZDNQOEC-UHFFFAOYSA-N 0 3 293.404 3.744 20 30 CHEDHN Cn1cc(CN[C@@H](CC2CCC2)c2ccccc2)cc1C#N ZINC000191569172 527219386 /nfs/dbraw/zinc/21/93/86/527219386.db2.gz BQXFYWYYMPUGFA-IBGZPJMESA-N 0 3 293.414 3.918 20 30 CHEDHN C=CCC[C@@H](NCC1(C(F)F)CC1)c1ccco1 ZINC000353604088 527447332 /nfs/dbraw/zinc/44/73/32/527447332.db2.gz IEZGHUIXKTUOHG-LLVKDONJSA-N 0 3 255.308 3.922 20 30 CHEDHN CC1(C)C[C@H](N[C@@H]2CCC[C@H](C#N)C2)c2cc(N)ccc2O1 ZINC000332205683 527746846 /nfs/dbraw/zinc/74/68/46/527746846.db2.gz HCWBROHVPAEZGA-BJJXKVORSA-N 0 3 299.418 3.543 20 30 CHEDHN CC1(C)C[C@H](N[C@H]2CCC[C@@H](C#N)C2)c2cc(N)ccc2O1 ZINC000332205684 527747566 /nfs/dbraw/zinc/74/75/66/527747566.db2.gz HCWBROHVPAEZGA-INWMFGNUSA-N 0 3 299.418 3.543 20 30 CHEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C1(CC)CC ZINC000344693284 527836677 /nfs/dbraw/zinc/83/66/77/527836677.db2.gz IRWHNIOZYILTKG-HUUCEWRRSA-N 0 3 292.448 3.693 20 30 CHEDHN CC(C)C[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000354679526 528590130 /nfs/dbraw/zinc/59/01/30/528590130.db2.gz VYYBLLAXAQMDOD-MRXNPFEDSA-N 0 3 281.403 3.821 20 30 CHEDHN CCC(CC)CN(CCC#N)CCCc1ccc(C)nc1 ZINC000353626168 528750958 /nfs/dbraw/zinc/75/09/58/528750958.db2.gz PWTKUYRYJZMFLX-UHFFFAOYSA-N 0 3 287.451 3.975 20 30 CHEDHN CCN(C(=O)C(C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000347063842 529051567 /nfs/dbraw/zinc/05/15/67/529051567.db2.gz HTZDXPSPZPQRAR-VXGBXAGGSA-N 0 3 270.332 3.502 20 30 CHEDHN CC[C@@H](NCCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000353672178 529159909 /nfs/dbraw/zinc/15/99/09/529159909.db2.gz MXKAUFKHDAIPPJ-CYBMUJFWSA-N 0 3 286.297 3.930 20 30 CHEDHN C=CCOc1ccc(CN(C)C[C@@H]2CCCO2)cc1Cl ZINC000127985095 1125464052 /nfs/dbraw/zinc/46/40/52/1125464052.db2.gz GCDFPOJSTMRFDB-AWEZNQCLSA-N 0 3 295.810 3.516 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(Cl)c(C)c2)n1 ZINC000151527110 1119464193 /nfs/dbraw/zinc/46/41/93/1119464193.db2.gz KQDZCAUPLFXDQR-LLVKDONJSA-N 0 3 290.775 3.903 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CCCCC3)CC2)o1 ZINC000092969019 1120550305 /nfs/dbraw/zinc/55/03/05/1120550305.db2.gz SYRWNWKIEXLYNS-UHFFFAOYSA-N 0 3 258.365 3.698 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000925693510 1120604859 /nfs/dbraw/zinc/60/48/59/1120604859.db2.gz PBHVNUZVHXJLJV-NEPJUHHUSA-N 0 3 275.352 3.574 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2nc(C)c(C)s2)C1 ZINC000661380987 1120759974 /nfs/dbraw/zinc/75/99/74/1120759974.db2.gz SGXTWABGBDVZCX-CYBMUJFWSA-N 0 3 250.411 3.548 20 30 CHEDHN CSC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000429290157 1121510810 /nfs/dbraw/zinc/51/08/10/1121510810.db2.gz RHZBWIWPDCFBGH-HNNXBMFYSA-N 0 3 293.863 3.767 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCC[C@H]1c1ccccc1Cl ZINC000545948390 1122312439 /nfs/dbraw/zinc/31/24/39/1122312439.db2.gz IZWKHLOXLXYAOT-ZLDLUXBVSA-N 0 3 262.784 3.725 20 30 CHEDHN C=CCCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001191029777 1122564978 /nfs/dbraw/zinc/56/49/78/1122564978.db2.gz JHDZTIVGHGSDFO-GASCZTMLSA-N 0 3 296.455 3.672 20 30 CHEDHN CCN(CCC#N)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437586166 1122644774 /nfs/dbraw/zinc/64/47/74/1122644774.db2.gz XRKPIYXFYBHGDX-IRXDYDNUSA-N 0 3 256.393 3.732 20 30 CHEDHN CCCCCCCCCOC(=O)N[C@@H]1CCN(CC)C1 ZINC001194920252 1122822439 /nfs/dbraw/zinc/82/24/39/1122822439.db2.gz AHWVQNCPVQDKFS-OAHLLOKOSA-N 0 3 284.444 3.557 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC001196441729 1122920455 /nfs/dbraw/zinc/92/04/55/1122920455.db2.gz MFTHJFVAFUXAIA-LLVKDONJSA-N 0 3 253.748 3.877 20 30 CHEDHN C=CCCCN(CC)CC(=O)Nc1cc(C)ccc1C ZINC001198458199 1122992289 /nfs/dbraw/zinc/99/22/89/1122992289.db2.gz PIYJBVDMVXNZOH-UHFFFAOYSA-N 0 3 274.408 3.530 20 30 CHEDHN CSCC[C@H](C)N(C)CC#Cc1ccccc1Cl ZINC000441253050 1123071524 /nfs/dbraw/zinc/07/15/24/1123071524.db2.gz KQXOFBNSQRNHLY-ZDUSSCGKSA-N 0 3 281.852 3.765 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000852410025 1123404149 /nfs/dbraw/zinc/40/41/49/1123404149.db2.gz GFJORTLHOOOEJW-GFCCVEGCSA-N 0 3 250.773 3.523 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NC2(c3cccc(Cl)c3)CC2)C1 ZINC000335880803 1123457511 /nfs/dbraw/zinc/45/75/11/1123457511.db2.gz YNIAXHOMAKJIAD-BXUZGUMPSA-N 0 3 260.768 3.611 20 30 CHEDHN CC(C)CN(CCC#N)CC[C@@H]1CCCC1(F)F ZINC000878121847 1125122794 /nfs/dbraw/zinc/12/27/94/1125122794.db2.gz OKYOPNQBCKCSSX-ZDUSSCGKSA-N 0 3 258.356 3.684 20 30 CHEDHN C=CCC[C@@H](NCC1(C#N)CCCCC1)[C@H]1CCCO1 ZINC000883236288 1125382266 /nfs/dbraw/zinc/38/22/66/1125382266.db2.gz YBMYUFJIZFFPBQ-HZPDHXFCSA-N 0 3 276.424 3.564 20 30 CHEDHN C=CCCCCN(C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756577 1131908107 /nfs/dbraw/zinc/90/81/07/1131908107.db2.gz NIOCLLMNSFWMJK-UHFFFAOYSA-N 0 3 264.319 3.625 20 30 CHEDHN C=CCN(Cc1ccc(F)cc1OC)C(C)(C)C ZINC001231607813 1132325507 /nfs/dbraw/zinc/32/55/07/1132325507.db2.gz GXXQEERWAGCNCR-UHFFFAOYSA-N 0 3 251.345 3.621 20 30 CHEDHN C=CCOC1CCC(N[C@@H](C)c2csc(C)n2)CC1 ZINC001173312897 1132451556 /nfs/dbraw/zinc/45/15/56/1132451556.db2.gz MTFGIIVQVLZDBD-XGNXJENSSA-N 0 3 280.437 3.616 20 30 CHEDHN C=C(C)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134446718 1125517891 /nfs/dbraw/zinc/51/78/91/1125517891.db2.gz KUKMLTOPSLHNGH-SNVBAGLBSA-N 0 3 290.354 3.917 20 30 CHEDHN COc1c(Cl)cccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000897482336 1125529687 /nfs/dbraw/zinc/52/96/87/1125529687.db2.gz QEZTWPBJGPNBHI-YPMHNXCESA-N 0 3 278.783 3.521 20 30 CHEDHN CC1(C)CN(C[C@@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886072890 1125644252 /nfs/dbraw/zinc/64/42/52/1125644252.db2.gz OCWPTPDKIMQTAE-IRXDYDNUSA-N 0 3 298.430 3.514 20 30 CHEDHN CSc1ccc(CNCc2ccc(C)s2)cc1C#N ZINC000886279052 1125665864 /nfs/dbraw/zinc/66/58/64/1125665864.db2.gz OQRAAIUOLIRNKF-UHFFFAOYSA-N 0 3 288.441 3.940 20 30 CHEDHN CCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127662828 1125698891 /nfs/dbraw/zinc/69/88/91/1125698891.db2.gz MWKCKRFVUUBEEZ-OAHLLOKOSA-N 0 3 286.375 3.613 20 30 CHEDHN CC[C@H](NCc1ccc(SC)c(C#N)c1)c1ccncc1 ZINC000886689926 1125709526 /nfs/dbraw/zinc/70/95/26/1125709526.db2.gz KUPAGPIPCLMKER-INIZCTEOSA-N 0 3 297.427 3.916 20 30 CHEDHN Cc1cc(C)c(CNCc2ccc(C#N)cc2)cc1C ZINC000037505861 1125721521 /nfs/dbraw/zinc/72/15/21/1125721521.db2.gz ANBBLUDZDKLQPZ-UHFFFAOYSA-N 0 3 264.372 3.773 20 30 CHEDHN Cc1ccsc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000091437426 1125749659 /nfs/dbraw/zinc/74/96/59/1125749659.db2.gz PGGPEANWZUIGTQ-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN Cc1ccsc1CN[C@H](C)c1cccc(C#N)c1 ZINC000091437427 1125750174 /nfs/dbraw/zinc/75/01/74/1125750174.db2.gz PGGPEANWZUIGTQ-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000093498074 1125769078 /nfs/dbraw/zinc/76/90/78/1125769078.db2.gz QOWLMNCKRYDNAS-IBGZPJMESA-N 0 3 279.449 3.602 20 30 CHEDHN Cc1cc(CNCc2cc(C#N)cs2)ccc1Cl ZINC000184333931 1129182442 /nfs/dbraw/zinc/18/24/42/1129182442.db2.gz MTENBOFPEKVUIL-UHFFFAOYSA-N 0 3 276.792 3.871 20 30 CHEDHN C=CCOCCN[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000388690691 1129655960 /nfs/dbraw/zinc/65/59/60/1129655960.db2.gz SBDGOHHQGULVCV-NSHDSACASA-N 0 3 282.453 3.602 20 30 CHEDHN C[C@@H](CC#N)NCC/C=C/c1ccc(Br)cc1 ZINC000600603631 1126722077 /nfs/dbraw/zinc/72/20/77/1126722077.db2.gz NUSPVKPKVWHHQU-KMOQFTEPSA-N 0 3 293.208 3.744 20 30 CHEDHN C[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000429573275 1126777321 /nfs/dbraw/zinc/77/73/21/1126777321.db2.gz YTSAYGHJTQMUBD-FZMZJTMJSA-N 0 3 262.784 3.832 20 30 CHEDHN CC(Cl)(Cl)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000777295623 1126784361 /nfs/dbraw/zinc/78/43/61/1126784361.db2.gz NIEOEOZKOCNFGH-JTQLQIEISA-N 0 3 293.153 3.605 20 30 CHEDHN C=CCN(CCSC(C)(C)C)CCc1ccco1 ZINC000801939725 1126790641 /nfs/dbraw/zinc/79/06/41/1126790641.db2.gz QUOVPLLEBBJBAB-UHFFFAOYSA-N 0 3 267.438 3.842 20 30 CHEDHN CCN(CC#Cc1ccccc1)CCc1cccs1 ZINC000483591204 1126793289 /nfs/dbraw/zinc/79/32/89/1126793289.db2.gz JLUVUOPCKRHWQP-UHFFFAOYSA-N 0 3 269.413 3.664 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC(C)(C)C1 ZINC000483726195 1126799224 /nfs/dbraw/zinc/79/92/24/1126799224.db2.gz MGOJWVBOCQKQEE-GFCCVEGCSA-N 0 3 260.356 3.565 20 30 CHEDHN CC(C)(NCC#Cc1ccccc1)c1cccs1 ZINC000483726244 1126799254 /nfs/dbraw/zinc/79/92/54/1126799254.db2.gz MMESKAHQLWARKI-UHFFFAOYSA-N 0 3 255.386 3.625 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000924798381 1126852330 /nfs/dbraw/zinc/85/23/30/1126852330.db2.gz NKJIWRKNYKLNJJ-RYUDHWBXSA-N 0 3 275.352 3.574 20 30 CHEDHN Cc1cccc(CN[C@H](CCC#N)c2ccccc2)c1O ZINC000182655778 1126875458 /nfs/dbraw/zinc/87/54/58/1126875458.db2.gz DBLIJXFWGCUTPA-QGZVFWFLSA-N 0 3 280.371 3.835 20 30 CHEDHN CC1/C(=C/c2ccc(C3CCCC3)cc2)C(=O)c2ncnn21 ZINC000905083455 1126889302 /nfs/dbraw/zinc/88/93/02/1126889302.db2.gz DJJQWKQSWUZYGT-YUSFRKCESA-N 0 3 293.370 3.777 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2OC(F)(F)F)C1 ZINC000185763045 1126903238 /nfs/dbraw/zinc/90/32/38/1126903238.db2.gz RLZJZTULXVIDPY-DGCLKSJQSA-N 0 3 298.308 3.757 20 30 CHEDHN Cc1ccc(OC(F)F)c(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185856712 1126903912 /nfs/dbraw/zinc/90/39/12/1126903912.db2.gz RTQDXNQDMVXILV-OCCSQVGLSA-N 0 3 294.345 3.768 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000185879590 1126905133 /nfs/dbraw/zinc/90/51/33/1126905133.db2.gz UFENXRGTXUQQKT-JGGQBBKZSA-N 0 3 288.366 3.711 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000668493998 1126918096 /nfs/dbraw/zinc/91/80/96/1126918096.db2.gz TXXPYBXYNYHYHY-HIFRSBDPSA-N 0 3 292.448 3.783 20 30 CHEDHN C[C@H]1CC[C@H](NCc2cc(C#N)n(C)c2)c2ccccc21 ZINC000191472886 1126952241 /nfs/dbraw/zinc/95/22/41/1126952241.db2.gz ULSZBZHRWZWRGN-UGSOOPFHSA-N 0 3 279.387 3.625 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cnccc1C ZINC000269606634 1127042316 /nfs/dbraw/zinc/04/23/16/1127042316.db2.gz XNVHZBBRKWAZSU-UHFFFAOYSA-N 0 3 279.387 3.674 20 30 CHEDHN Cc1cc(CN(C)[C@H](C)c2cccc(O)c2)ccc1C#N ZINC000488233391 1127063591 /nfs/dbraw/zinc/06/35/91/1127063591.db2.gz QNCQGCGLHARJRO-CQSZACIVSA-N 0 3 280.371 3.765 20 30 CHEDHN C=CCCCCCN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000488314947 1127071954 /nfs/dbraw/zinc/07/19/54/1127071954.db2.gz YXYLJVAGHZBLPT-OAHLLOKOSA-N 0 3 284.407 3.664 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccn1 ZINC000271254885 1127074062 /nfs/dbraw/zinc/07/40/62/1127074062.db2.gz IGEPVOYWPDCKMT-HNNXBMFYSA-N 0 3 279.387 3.926 20 30 CHEDHN C=C[C@@H]1CCCCN1CCOc1ccccc1OCC ZINC000489427826 1127102993 /nfs/dbraw/zinc/10/29/93/1127102993.db2.gz NVQKIWPZWUCKBG-OAHLLOKOSA-N 0 3 275.392 3.505 20 30 CHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCSC1 ZINC000348866127 1127132387 /nfs/dbraw/zinc/13/23/87/1127132387.db2.gz FYRKVLNWJFHDEQ-OAHLLOKOSA-N 0 3 293.480 3.595 20 30 CHEDHN CCOc1ccccc1CN1CCC(CCC#N)CC1 ZINC000571758133 1127166081 /nfs/dbraw/zinc/16/60/81/1127166081.db2.gz LUQRHRMJYGHDGU-UHFFFAOYSA-N 0 3 272.392 3.601 20 30 CHEDHN Cc1nc([C@H](C)NCC(C)(C)CCC#N)c(C)s1 ZINC000588231629 1127182061 /nfs/dbraw/zinc/18/20/61/1127182061.db2.gz ASBJEHLDASMNBJ-JTQLQIEISA-N 0 3 265.426 3.741 20 30 CHEDHN COCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000351568074 1127194181 /nfs/dbraw/zinc/19/41/81/1127194181.db2.gz KWSRDDOOZZMCPO-MRXNPFEDSA-N 0 3 294.398 3.768 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000589343305 1127218444 /nfs/dbraw/zinc/21/84/44/1127218444.db2.gz MJXFWPIKPDUGDG-VQTJNVASSA-N 0 3 299.377 3.694 20 30 CHEDHN Cc1ccc([C@@H]2CCN(CC#Cc3ccccc3)C2)cc1 ZINC000572668531 1127223785 /nfs/dbraw/zinc/22/37/85/1127223785.db2.gz XJDIGONXZBNPOM-HXUWFJFHSA-N 0 3 275.395 3.836 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000589514756 1127226393 /nfs/dbraw/zinc/22/63/93/1127226393.db2.gz KQRCMFPVYLYFIQ-SWLSCSKDSA-N 0 3 294.320 3.951 20 30 CHEDHN CSc1ccc(CNCc2cccc(C#N)c2)s1 ZINC000352836223 1127246380 /nfs/dbraw/zinc/24/63/80/1127246380.db2.gz SKIDKERLWHDJNV-UHFFFAOYSA-N 0 3 274.414 3.631 20 30 CHEDHN Cc1ccnc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000590123259 1127248639 /nfs/dbraw/zinc/24/86/39/1127248639.db2.gz KGVAKCWYTDEZIT-GOSISDBHSA-N 0 3 279.387 3.915 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000352931121 1127251813 /nfs/dbraw/zinc/25/18/13/1127251813.db2.gz FEEKIZFMKODPOS-HUUCEWRRSA-N 0 3 297.427 3.831 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccco1 ZINC000286048625 1127256387 /nfs/dbraw/zinc/25/63/87/1127256387.db2.gz KYLJIXXGEXMFKY-HZPDHXFCSA-N 0 3 289.350 3.749 20 30 CHEDHN N#CCOc1cccc(CNCc2cc(Cl)cs2)c1 ZINC001116819071 1131165264 /nfs/dbraw/zinc/16/52/64/1131165264.db2.gz QLKOSEMNCUEABS-UHFFFAOYSA-N 0 3 292.791 3.594 20 30 CHEDHN CCn1cc([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000590762825 1127270418 /nfs/dbraw/zinc/27/04/18/1127270418.db2.gz WYODGVCDZGACRC-CQSZACIVSA-N 0 3 296.418 3.555 20 30 CHEDHN Cc1ccccc1CC1CN(Cc2ccc(C#N)cc2)C1 ZINC000590967223 1127279949 /nfs/dbraw/zinc/27/99/49/1127279949.db2.gz PTLJYYROHLLDMY-UHFFFAOYSA-N 0 3 276.383 3.541 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)C1CCC(F)(F)CC1 ZINC000287056374 1127285067 /nfs/dbraw/zinc/28/50/67/1127285067.db2.gz URQYLFXSCAKORJ-UHFFFAOYSA-N 0 3 282.309 3.707 20 30 CHEDHN CO[C@H](CN[C@@H](CCC#N)c1ccccc1)CC(C)C ZINC000591375701 1127299789 /nfs/dbraw/zinc/29/97/89/1127299789.db2.gz UBLJTCDXTGYMFS-IRXDYDNUSA-N 0 3 274.408 3.682 20 30 CHEDHN CC[C@@H](NCc1nc(C#N)cs1)C(C)(C)c1ccccc1 ZINC000573369926 1127306896 /nfs/dbraw/zinc/30/68/96/1127306896.db2.gz QFFGYOYXTLIXMU-OAHLLOKOSA-N 0 3 299.443 3.861 20 30 CHEDHN CN(CCCc1ccccc1)Cc1ccc(C#N)cc1F ZINC000046087709 1127327878 /nfs/dbraw/zinc/32/78/78/1127327878.db2.gz HAZMVYSSQRPDPF-UHFFFAOYSA-N 0 3 282.362 3.762 20 30 CHEDHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1ccncc1C#N ZINC000592119400 1127335721 /nfs/dbraw/zinc/33/57/21/1127335721.db2.gz UZPRXXPKPVVLDO-YOEHRIQHSA-N 0 3 271.408 3.648 20 30 CHEDHN N#CCCCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592189089 1127337801 /nfs/dbraw/zinc/33/78/01/1127337801.db2.gz XZRDZNDJFZZORZ-MRXNPFEDSA-N 0 3 252.361 3.683 20 30 CHEDHN N#Cc1cc(Cl)ccc1CNC1(C2CCC2)CC1 ZINC000593082077 1127372606 /nfs/dbraw/zinc/37/26/06/1127372606.db2.gz PQEBDADMDWIIQM-UHFFFAOYSA-N 0 3 260.768 3.634 20 30 CHEDHN C#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000289270484 1127379049 /nfs/dbraw/zinc/37/90/49/1127379049.db2.gz NLQJZLFIFIIYTQ-VQTJNVASSA-N 0 3 291.394 3.678 20 30 CHEDHN C[C@@H](CNCC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000593655089 1127392917 /nfs/dbraw/zinc/39/29/17/1127392917.db2.gz WCSFBDQYXAMTGZ-ZDUSSCGKSA-N 0 3 260.356 3.603 20 30 CHEDHN CC(C)[C@@H]1N(Cc2cc(C#N)cs2)CC12CC=CC2 ZINC000592526018 1127396493 /nfs/dbraw/zinc/39/64/93/1127396493.db2.gz FKAMLZQGTJHNKL-HNNXBMFYSA-N 0 3 272.417 3.796 20 30 CHEDHN C=C[C@@H](C)N[C@H](CC)c1cc(Cl)ccc1OC ZINC000358304187 1127414073 /nfs/dbraw/zinc/41/40/73/1127414073.db2.gz RDXBOYUAJBWZCY-ZWNOBZJWSA-N 0 3 253.773 3.964 20 30 CHEDHN C=CCCOCCN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000358364297 1127417425 /nfs/dbraw/zinc/41/74/25/1127417425.db2.gz IEJMNKZFHHVLEU-OAHLLOKOSA-N 0 3 295.810 3.736 20 30 CHEDHN CC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccncc1 ZINC000594924435 1127435817 /nfs/dbraw/zinc/43/58/17/1127435817.db2.gz YROLMPSAPUMIIO-GOSISDBHSA-N 0 3 291.398 3.878 20 30 CHEDHN COc1cccc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594968877 1127437576 /nfs/dbraw/zinc/43/75/76/1127437576.db2.gz UMTOOCSLBXKTEY-UHFFFAOYSA-N 0 3 280.371 3.592 20 30 CHEDHN COc1ccc2c(c1)C[C@H](NCC1(C#N)CCCCC1)CC2 ZINC000594982124 1127443141 /nfs/dbraw/zinc/44/31/41/1127443141.db2.gz ZLIHOJYRIYJJAJ-QGZVFWFLSA-N 0 3 298.430 3.616 20 30 CHEDHN C=CCCC(C)(C)NCc1ncc(CSC)s1 ZINC000594997723 1127444939 /nfs/dbraw/zinc/44/49/39/1127444939.db2.gz BMILCVWRETYAKH-UHFFFAOYSA-N 0 3 270.467 3.841 20 30 CHEDHN COc1cccc(F)c1[C@H](C)NCCc1ccc(C#N)cc1 ZINC000595055926 1127446308 /nfs/dbraw/zinc/44/63/08/1127446308.db2.gz MTVVAVSGBSUDJP-ZDUSSCGKSA-N 0 3 298.361 3.599 20 30 CHEDHN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000595068928 1127448326 /nfs/dbraw/zinc/44/83/26/1127448326.db2.gz WCRYQCSKTBYWRH-ZENOOKHLSA-N 0 3 260.356 3.805 20 30 CHEDHN C[C@H](c1ccccc1F)N(C)CCc1ccc(C#N)cc1 ZINC000595298188 1127457905 /nfs/dbraw/zinc/45/79/05/1127457905.db2.gz PZFNSOLJSNGDIZ-CQSZACIVSA-N 0 3 282.362 3.933 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC(c2ccco2)CC1 ZINC000595617000 1127467553 /nfs/dbraw/zinc/46/75/53/1127467553.db2.gz UGOMWNKWYUSUNN-UHFFFAOYSA-N 0 3 280.371 3.839 20 30 CHEDHN CSc1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000595620360 1127469007 /nfs/dbraw/zinc/46/90/07/1127469007.db2.gz MMKMMWZZFKXJQX-CYBMUJFWSA-N 0 3 260.406 3.534 20 30 CHEDHN Cc1cccc(C)c1[C@@H]1CCCN1CC1(C#N)CC1 ZINC000595603037 1127469237 /nfs/dbraw/zinc/46/92/37/1127469237.db2.gz WYWJEQMAMQIYBD-HNNXBMFYSA-N 0 3 254.377 3.744 20 30 CHEDHN CC(C)c1ccc2c(c1)CN([C@H](C)CCC#N)CC2 ZINC000595658299 1127471763 /nfs/dbraw/zinc/47/17/63/1127471763.db2.gz RSHMWYMUBOSZCY-CQSZACIVSA-N 0 3 256.393 3.860 20 30 CHEDHN CCCCC[C@@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000595872268 1127479930 /nfs/dbraw/zinc/47/99/30/1127479930.db2.gz SUSVZDFAXZCWLJ-QGZVFWFLSA-N 0 3 271.408 3.888 20 30 CHEDHN C[C@H](C1CCC1)N(C)Cc1ccc(Cl)cc1C#N ZINC000360120792 1127490483 /nfs/dbraw/zinc/49/04/83/1127490483.db2.gz ALZRTSSKNQYVBS-LLVKDONJSA-N 0 3 262.784 3.832 20 30 CHEDHN Cc1cccc2c1ncc(C)c2N1CCC[C@H](CC#N)C1 ZINC000596329148 1127492786 /nfs/dbraw/zinc/49/27/86/1127492786.db2.gz KLIAPUMHXUPLRV-OAHLLOKOSA-N 0 3 279.387 3.982 20 30 CHEDHN CCc1ccc2nccc(N3CCC[C@@H](CC#N)C3)c2c1 ZINC000596326518 1127493099 /nfs/dbraw/zinc/49/30/99/1127493099.db2.gz UNFKYVVGFDXHAB-HNNXBMFYSA-N 0 3 279.387 3.927 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000596649608 1127515215 /nfs/dbraw/zinc/51/52/15/1127515215.db2.gz DBEHSISVXYOKKF-ADLMAVQZSA-N 0 3 295.361 3.618 20 30 CHEDHN CC(C)[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)CS1 ZINC000597226707 1127536705 /nfs/dbraw/zinc/53/67/05/1127536705.db2.gz WQBFGTFAJBRDOA-KGLIPLIRSA-N 0 3 266.454 3.580 20 30 CHEDHN CCC[C@@H](CN1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597232008 1127535505 /nfs/dbraw/zinc/53/55/05/1127535505.db2.gz QSVDSBVLSMLQFI-DLBZAZTESA-N 0 3 256.393 3.806 20 30 CHEDHN C/C=C/C[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001308887561 1127558533 /nfs/dbraw/zinc/55/85/33/1127558533.db2.gz WONKXRSQIGNNIB-ZMUQKWFASA-N 0 3 253.389 3.716 20 30 CHEDHN Cc1ccc(C)c([C@H](C)N(C)Cc2cc(C#N)n(C)c2)c1 ZINC000361509084 1127568559 /nfs/dbraw/zinc/56/85/59/1127568559.db2.gz STKAFKSOBGZRBX-HNNXBMFYSA-N 0 3 281.403 3.707 20 30 CHEDHN N#Cc1cccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000602476872 1127581583 /nfs/dbraw/zinc/58/15/83/1127581583.db2.gz XDGDINJBKVJWNY-CQSZACIVSA-N 0 3 297.789 3.596 20 30 CHEDHN N#Cc1cccc(CN[C@H](c2ccccc2)C2CCCC2)n1 ZINC000602536476 1127591922 /nfs/dbraw/zinc/59/19/22/1127591922.db2.gz UDYAOPZYFJZDAT-LJQANCHMSA-N 0 3 291.398 3.974 20 30 CHEDHN Cc1cccc(C2(NCc3cccc(C#N)n3)CCCC2)c1 ZINC000602585299 1127596749 /nfs/dbraw/zinc/59/67/49/1127596749.db2.gz DKVDJLOCFWEUGI-UHFFFAOYSA-N 0 3 291.398 3.821 20 30 CHEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)[C@H]1CC1(F)F ZINC000602581217 1127597071 /nfs/dbraw/zinc/59/70/71/1127597071.db2.gz ISTVUEKZHBGLRP-IACUBPJLSA-N 0 3 264.319 3.665 20 30 CHEDHN C[C@@H]1CCCc2ccccc2[C@H]1NCc1cccc(C#N)n1 ZINC000602619523 1127597730 /nfs/dbraw/zinc/59/77/30/1127597730.db2.gz WQFQACKXZYIKCL-KUHUBIRLSA-N 0 3 291.398 3.757 20 30 CHEDHN C[C@@H](Cc1ccc(F)cc1Cl)NCC(C)(C)C#N ZINC000602607523 1127598261 /nfs/dbraw/zinc/59/82/61/1127598261.db2.gz MFHLLYJUSKRCGP-JTQLQIEISA-N 0 3 268.763 3.549 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc2ccc(F)c(F)c2n1 ZINC000602692749 1127605125 /nfs/dbraw/zinc/60/51/25/1127605125.db2.gz YUNCBQNOYGWTSE-UHFFFAOYSA-N 0 3 289.329 3.542 20 30 CHEDHN N#CC(C(=O)c1ccsc1)c1cc(C(F)(F)F)ccn1 ZINC000362141326 1127614044 /nfs/dbraw/zinc/61/40/44/1127614044.db2.gz WXWMPKRENHPQNP-SNVBAGLBSA-N 0 3 296.273 3.652 20 30 CHEDHN CCc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000593719417 1127664863 /nfs/dbraw/zinc/66/48/63/1127664863.db2.gz XOVWOJXWSKSQPW-IBGZPJMESA-N 0 3 276.383 3.898 20 30 CHEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599515315 1127676559 /nfs/dbraw/zinc/67/65/59/1127676559.db2.gz RJKAUMHUVYACLM-CHWSQXEVSA-N 0 3 278.346 3.590 20 30 CHEDHN N#CCCCN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007553307 1127699083 /nfs/dbraw/zinc/69/90/83/1127699083.db2.gz LRJMQNPUJMKBCV-CYBMUJFWSA-N 0 3 285.416 3.779 20 30 CHEDHN C=CCCCN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000605149650 1127729880 /nfs/dbraw/zinc/72/98/80/1127729880.db2.gz KBYQOWRYRNCVLO-UHFFFAOYSA-N 0 3 296.817 3.563 20 30 CHEDHN C=CCCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000605150126 1127729946 /nfs/dbraw/zinc/72/99/46/1127729946.db2.gz VODOGEHKQUXHFK-UHFFFAOYSA-N 0 3 251.320 3.895 20 30 CHEDHN COC(C)(C)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000409446866 1127768143 /nfs/dbraw/zinc/76/81/43/1127768143.db2.gz RHCFJPWYQOWJST-SJORKVTESA-N 0 3 286.419 3.573 20 30 CHEDHN N#Cc1ccc(C2(NCc3ccc(F)cc3)CCC2)cc1 ZINC000594032382 1127771723 /nfs/dbraw/zinc/77/17/23/1127771723.db2.gz GBECUCBCRYVYFN-UHFFFAOYSA-N 0 3 280.346 3.866 20 30 CHEDHN N#CCCCCN1CCC(c2ncccc2Cl)CC1 ZINC000373790220 1127861886 /nfs/dbraw/zinc/86/18/86/1127861886.db2.gz ZNRGYTVICQWFNG-UHFFFAOYSA-N 0 3 277.799 3.608 20 30 CHEDHN C=C(C)[C@@H](NCCc1cncs1)c1ccc(F)c(F)c1 ZINC000411555546 1127865142 /nfs/dbraw/zinc/86/51/42/1127865142.db2.gz NHXYHKVYWWXODG-OAHLLOKOSA-N 0 3 294.370 3.871 20 30 CHEDHN Cc1ccsc1[C@@H](CO)NCCC1(C#N)CCCCC1 ZINC000411575092 1127865753 /nfs/dbraw/zinc/86/57/53/1127865753.db2.gz VLDDGJQNHDNZRR-CQSZACIVSA-N 0 3 292.448 3.544 20 30 CHEDHN CC1(C)CN(CCC2(C#N)CCCCC2)[C@@H]2CCC[C@H]2O1 ZINC000411693031 1127870078 /nfs/dbraw/zinc/87/00/78/1127870078.db2.gz LIWUJZXPJXLUTD-HZPDHXFCSA-N 0 3 290.451 3.882 20 30 CHEDHN CN(CC1(C#N)CC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412004006 1127885701 /nfs/dbraw/zinc/88/57/01/1127885701.db2.gz BSHWEIGZSJIEOG-SJORKVTESA-N 0 3 268.404 3.948 20 30 CHEDHN C#CCCCNCc1csc(-c2ccc(C)cc2)n1 ZINC000174611054 1127899068 /nfs/dbraw/zinc/89/90/68/1127899068.db2.gz DDALOGBJCBPKMO-UHFFFAOYSA-N 0 3 270.401 3.622 20 30 CHEDHN C[C@@]1(c2ccccc2)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000468288649 1128001414 /nfs/dbraw/zinc/00/14/14/1128001414.db2.gz VKXLSBDWWMIUKL-LJQANCHMSA-N 0 3 294.373 3.861 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000468474439 1128009275 /nfs/dbraw/zinc/00/92/75/1128009275.db2.gz FWSCJLCLBQZSIO-IKGGRYGDSA-N 0 3 256.393 3.913 20 30 CHEDHN COc1ccc2c(c1)CCCN(Cc1ccc(C#N)cc1)C2 ZINC000609133892 1128031497 /nfs/dbraw/zinc/03/14/97/1128031497.db2.gz IBGSODGPIMNTCV-UHFFFAOYSA-N 0 3 292.382 3.515 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)N(Cc2cc(F)ccc2C#N)C1 ZINC000469097959 1128034823 /nfs/dbraw/zinc/03/48/23/1128034823.db2.gz XAAZAOVIUCMFDV-CHWSQXEVSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(CC)CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469451852 1128043550 /nfs/dbraw/zinc/04/35/50/1128043550.db2.gz GMNGBZZQSVPKMG-GFCCVEGCSA-N 0 3 251.320 3.720 20 30 CHEDHN C[C@H](NCc1cccc(N(C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271921783 1128080130 /nfs/dbraw/zinc/08/01/30/1128080130.db2.gz DZUWBAWBXDFWAH-ZDUSSCGKSA-N 0 3 297.377 3.614 20 30 CHEDHN C[C@H]1CN(CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000471049565 1128086487 /nfs/dbraw/zinc/08/64/87/1128086487.db2.gz ZWWCJVMQAIPCAP-HNAYVOBHSA-N 0 3 292.382 3.630 20 30 CHEDHN Cc1cc(CNCc2ccc(C#N)c(C)c2)ccc1F ZINC000443972133 1128105588 /nfs/dbraw/zinc/10/55/88/1128105588.db2.gz WTTVNMZAPRTVGP-UHFFFAOYSA-N 0 3 268.335 3.604 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1cc2ccccc2o1 ZINC000924744388 1128111404 /nfs/dbraw/zinc/11/14/04/1128111404.db2.gz AIBFYKKJVJTLAF-LBPRGKRZSA-N 0 3 256.349 3.851 20 30 CHEDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)CC(C)(C)C#N ZINC000925368138 1128128912 /nfs/dbraw/zinc/12/89/12/1128128912.db2.gz XBKKSAHEYAYNBH-WFASDCNBSA-N 0 3 272.392 3.655 20 30 CHEDHN Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)CC(C)(C)C#N ZINC000925368136 1128128919 /nfs/dbraw/zinc/12/89/19/1128128919.db2.gz XBKKSAHEYAYNBH-SWLSCSKDSA-N 0 3 272.392 3.655 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCCOc2c(F)cccc21 ZINC000926112152 1128155310 /nfs/dbraw/zinc/15/53/10/1128155310.db2.gz NASMPSSENMXYNB-DOMZBBRYSA-N 0 3 290.382 3.957 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000926427409 1128171528 /nfs/dbraw/zinc/17/15/28/1128171528.db2.gz FEMSVVJKTMXIJP-SWLSCSKDSA-N 0 3 294.826 3.681 20 30 CHEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccnnc1 ZINC000926478744 1128173895 /nfs/dbraw/zinc/17/38/95/1128173895.db2.gz CCYFTXAHGPGGLE-WMLDXEAASA-N 0 3 280.375 3.562 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1ccnc(C(F)(F)F)c1 ZINC000926508678 1128176749 /nfs/dbraw/zinc/17/67/49/1128176749.db2.gz ANFWAIGUFADPDF-SNVBAGLBSA-N 0 3 285.313 3.518 20 30 CHEDHN C=C(C)CCN[C@@H](C)c1nc(Br)ccc1F ZINC000926521924 1128178682 /nfs/dbraw/zinc/17/86/82/1128178682.db2.gz VNSHJHYVRTWSKV-VIFPVBQESA-N 0 3 287.176 3.600 20 30 CHEDHN C=C1CCC(CN[C@@H]2CCCc3oc(C)nc32)CC1 ZINC000926924906 1128204070 /nfs/dbraw/zinc/20/40/70/1128204070.db2.gz GEAMLUYNDLHNEU-CQSZACIVSA-N 0 3 260.381 3.696 20 30 CHEDHN Cc1ncsc1CN(C)CCCCC1(C#N)CCC1 ZINC000929606246 1128278809 /nfs/dbraw/zinc/27/88/09/1128278809.db2.gz LXCXKEVUWJKSRH-UHFFFAOYSA-N 0 3 277.437 3.748 20 30 CHEDHN CCC(CC)CN(CCC#N)CCCc1cccnc1 ZINC000929781245 1128287447 /nfs/dbraw/zinc/28/74/47/1128287447.db2.gz TWBBFBMIHDEXLY-UHFFFAOYSA-N 0 3 273.424 3.666 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccc(C#N)cc1 ZINC000930203524 1128307836 /nfs/dbraw/zinc/30/78/36/1128307836.db2.gz XIEIUHYUCNBESX-OAHLLOKOSA-N 0 3 289.382 3.898 20 30 CHEDHN C=CCC[C@H](NCc1cc(C)nnc1C)c1ccccc1 ZINC000930231195 1128308860 /nfs/dbraw/zinc/30/88/60/1128308860.db2.gz ZHCGVBOVJJVDEZ-SFHVURJKSA-N 0 3 281.403 3.891 20 30 CHEDHN C[C@@H]1CCN(CCCCC2(C#N)CCC2)C[C@@H]1F ZINC000930244790 1128310432 /nfs/dbraw/zinc/31/04/32/1128310432.db2.gz PLNYVCKYULBZMD-KGLIPLIRSA-N 0 3 252.377 3.530 20 30 CHEDHN CO[C@@]1(C)CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930289373 1128312641 /nfs/dbraw/zinc/31/26/41/1128312641.db2.gz QOWDNSSQOZZTFB-INIZCTEOSA-N 0 3 292.810 3.603 20 30 CHEDHN C=CCN(CCOC)[C@@H](C)c1cccc(Cl)c1 ZINC000561634086 1128343335 /nfs/dbraw/zinc/34/33/35/1128343335.db2.gz CUDUXJKCEMPAPX-LBPRGKRZSA-N 0 3 253.773 3.535 20 30 CHEDHN C=CCN1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000932550510 1128413706 /nfs/dbraw/zinc/41/37/06/1128413706.db2.gz ANKBPESWJAXMLM-UHFFFAOYSA-N 0 3 285.416 3.571 20 30 CHEDHN CCc1cc(C[N@@H+](CC)Cc2ccccc2[O-])ccc1C#N ZINC001238768056 1131243092 /nfs/dbraw/zinc/24/30/92/1131243092.db2.gz DVSCCAVBUWDBFV-UHFFFAOYSA-N 0 3 294.398 3.848 20 30 CHEDHN CCc1cc(C[N@H+](CC)Cc2ccccc2[O-])ccc1C#N ZINC001238768056 1131243096 /nfs/dbraw/zinc/24/30/96/1131243096.db2.gz DVSCCAVBUWDBFV-UHFFFAOYSA-N 0 3 294.398 3.848 20 30 CHEDHN C[C@H](CCC#N)N[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933272699 1128432402 /nfs/dbraw/zinc/43/24/02/1128432402.db2.gz OUFJZUHNHKCWBZ-GHMZBOCLSA-N 0 3 278.783 3.618 20 30 CHEDHN CSc1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000563067741 1128448660 /nfs/dbraw/zinc/44/86/60/1128448660.db2.gz ITDHDPJDGMOSPU-UHFFFAOYSA-N 0 3 274.433 3.924 20 30 CHEDHN Clc1cccc(C#CCN[C@H](c2ccncc2)C2CC2)c1 ZINC000934694937 1128466662 /nfs/dbraw/zinc/46/66/62/1128466662.db2.gz JQZCUIWKLOLJIZ-SFHVURJKSA-N 0 3 296.801 3.827 20 30 CHEDHN COc1ccccc1[C@H]1CCCCN1CCCC#N ZINC000609280925 1128553504 /nfs/dbraw/zinc/55/35/04/1128553504.db2.gz WRPCHBGTDFSVHK-OAHLLOKOSA-N 0 3 258.365 3.526 20 30 CHEDHN C=C(Br)CN1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000919647820 1128618626 /nfs/dbraw/zinc/61/86/26/1128618626.db2.gz TWQTXMNVVKCUOM-CYZMBNFOSA-N 0 3 272.230 3.796 20 30 CHEDHN C=C(Br)CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000919647823 1128618743 /nfs/dbraw/zinc/61/87/43/1128618743.db2.gz TWQTXMNVVKCUOM-DRZSPHRISA-N 0 3 272.230 3.796 20 30 CHEDHN CCCCCCCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000919699475 1128623980 /nfs/dbraw/zinc/62/39/80/1128623980.db2.gz WVCUXVRVOPRDCO-UHFFFAOYSA-N 0 3 296.499 3.926 20 30 CHEDHN CC#CCCNCc1cc(Cl)c(OC)cc1Cl ZINC000499213799 1128661415 /nfs/dbraw/zinc/66/14/15/1128661415.db2.gz MFXFDNHWXCTQIS-UHFFFAOYSA-N 0 3 272.175 3.505 20 30 CHEDHN N#CC(C(=O)CC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000046706234 1128664032 /nfs/dbraw/zinc/66/40/32/1128664032.db2.gz YZYQMGYWGPOMBH-CYBMUJFWSA-N 0 3 281.359 3.710 20 30 CHEDHN C=CC1CCN(Cc2ccccc2Br)CC1 ZINC000600681447 1128677625 /nfs/dbraw/zinc/67/76/25/1128677625.db2.gz KZOKUUCSLAMONY-UHFFFAOYSA-N 0 3 280.209 3.847 20 30 CHEDHN Cc1ccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)c(C#N)c1 ZINC000600775441 1128680199 /nfs/dbraw/zinc/68/01/99/1128680199.db2.gz ILUCQEHBHMHOCZ-IFXJQAMLSA-N 0 3 292.382 3.583 20 30 CHEDHN N#CC1(CN[C@@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000578076248 1128706076 /nfs/dbraw/zinc/70/60/76/1128706076.db2.gz BQQSSVIDXBUGKQ-DLBZAZTESA-N 0 3 268.404 3.996 20 30 CHEDHN C[C@H](N[C@H]1CCCc2ncccc21)c1ccc(C#N)cc1 ZINC000601264856 1128707471 /nfs/dbraw/zinc/70/74/71/1128707471.db2.gz ILAOKXGJUOHHTF-UGSOOPFHSA-N 0 3 277.371 3.681 20 30 CHEDHN CC[C@@H](NCc1csc(C#N)c1)c1ccc(OC)cc1 ZINC000921488085 1128710806 /nfs/dbraw/zinc/71/08/06/1128710806.db2.gz HLPXVIJNVKWBCZ-MRXNPFEDSA-N 0 3 286.400 3.869 20 30 CHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccs1 ZINC000034992362 1117757402 /nfs/dbraw/zinc/75/74/02/1117757402.db2.gz XAXSYGAFNFJZJP-GFCCVEGCSA-N 0 3 272.373 3.501 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc(C#N)cc1F ZINC000610079901 1128737806 /nfs/dbraw/zinc/73/78/06/1128737806.db2.gz OIJHQAKRTLCWOZ-UHFFFAOYSA-N 0 3 260.356 3.876 20 30 CHEDHN N#CC1CCC(=Nc2cc3nsnc3cc2Cl)CC1 ZINC001212867372 1128737808 /nfs/dbraw/zinc/73/78/08/1128737808.db2.gz VWKAJDSAWBZFOL-MRVPVSSYSA-N 0 3 290.779 3.964 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000119362098 1117892231 /nfs/dbraw/zinc/89/22/31/1117892231.db2.gz BLAQXRWBAQEIIE-DTWKUNHWSA-N 0 3 259.271 3.652 20 30 CHEDHN C=CC(C)(C)CCN[C@H]1CCCc2scnc21 ZINC000624037000 1117973067 /nfs/dbraw/zinc/97/30/67/1117973067.db2.gz ICAPJPZKTZANEB-NSHDSACASA-N 0 3 250.411 3.712 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(F)c(Br)c1 ZINC000195732301 1128754299 /nfs/dbraw/zinc/75/42/99/1128754299.db2.gz WHGDLSNNANNPKK-UHFFFAOYSA-N 0 3 272.161 3.596 20 30 CHEDHN C=CCN(Cc1cc(F)cc(Br)c1)C(C)C ZINC001167227309 1118107529 /nfs/dbraw/zinc/10/75/29/1118107529.db2.gz KMBWXEKIXFPXEN-UHFFFAOYSA-N 0 3 286.188 3.985 20 30 CHEDHN CCN(CCc1ccccc1)Cc1csc(C#N)c1 ZINC001204479944 1118126302 /nfs/dbraw/zinc/12/63/02/1118126302.db2.gz MAGIQYAUGPFHQI-UHFFFAOYSA-N 0 3 270.401 3.684 20 30 CHEDHN C=CC1CCN(c2ccnc3cc(OC)ccc32)CC1 ZINC000765503118 1118157381 /nfs/dbraw/zinc/15/73/81/1118157381.db2.gz NPVMENNYDPVVER-UHFFFAOYSA-N 0 3 268.360 3.646 20 30 CHEDHN CC[C@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000921620156 1118225648 /nfs/dbraw/zinc/22/56/48/1118225648.db2.gz IAMJPELGMXPESG-HNNXBMFYSA-N 0 3 256.374 3.861 20 30 CHEDHN Cn1cc(CN2CCCC[C@H]2c2ccccc2)cc1C#N ZINC000343666849 1118229465 /nfs/dbraw/zinc/22/94/65/1118229465.db2.gz YQMGMRCPUIVXSU-SFHVURJKSA-N 0 3 279.387 3.624 20 30 CHEDHN N#CCCN[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000449285774 1118271006 /nfs/dbraw/zinc/27/10/06/1118271006.db2.gz FVMHSODBIVTBJP-HIFRSBDPSA-N 0 3 262.784 3.554 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCC[C@@H]1F ZINC000340525630 1118317023 /nfs/dbraw/zinc/31/70/23/1118317023.db2.gz WZXQARQQXKRSQJ-YESZJQIVSA-N 0 3 272.367 3.806 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccncc2C)c([O-])c1 ZINC000189354843 1128771886 /nfs/dbraw/zinc/77/18/86/1128771886.db2.gz JLVUQKPIIBDONB-DEDYPNTBSA-N 0 3 297.402 3.561 20 30 CHEDHN Cc1cccnc1[C@H]1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000619612233 1118397126 /nfs/dbraw/zinc/39/71/26/1118397126.db2.gz KLRGNSVIICMJKV-GJZGRUSLSA-N 0 3 271.408 3.556 20 30 CHEDHN C[C@H](NCc1cccc(F)c1C#N)[C@]12C[C@H]1CCCC2 ZINC001207120572 1118484208 /nfs/dbraw/zinc/48/42/08/1118484208.db2.gz VZXXHWRWCKNMSO-QEORTHHSSA-N 0 3 272.367 3.756 20 30 CHEDHN N#CC(C(=O)CCC1CCCCC1)c1ccccn1 ZINC000060477027 1118514428 /nfs/dbraw/zinc/51/44/28/1118514428.db2.gz KGBURXYWIMSICU-AWEZNQCLSA-N 0 3 256.349 3.618 20 30 CHEDHN Cc1nc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000334276346 1118547238 /nfs/dbraw/zinc/54/72/38/1118547238.db2.gz CQCBTYALIZIOKR-INIZCTEOSA-N 0 3 297.427 3.799 20 30 CHEDHN CC(C)(C#N)CCCN1CC[C@H]1c1cccc(F)c1 ZINC000610505645 1118590983 /nfs/dbraw/zinc/59/09/83/1118590983.db2.gz PRHITJYLCCCNMZ-HNNXBMFYSA-N 0 3 260.356 3.902 20 30 CHEDHN C=CCOc1ccc(CN(C)[C@@H]2CCCOC2)cc1Cl ZINC000348675069 1118632328 /nfs/dbraw/zinc/63/23/28/1118632328.db2.gz QANQZWKJYHZFBH-CQSZACIVSA-N 0 3 295.810 3.516 20 30 CHEDHN C=CCN(Cc1cnc2ccc(Cl)cn12)C(C)(C)C ZINC001140432295 1118641501 /nfs/dbraw/zinc/64/15/01/1118641501.db2.gz FYGJUVRWNVUUTP-UHFFFAOYSA-N 0 3 277.799 3.774 20 30 CHEDHN C[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001167478352 1118669650 /nfs/dbraw/zinc/66/96/50/1118669650.db2.gz OUIDYTOHNIOYRV-ZIAGYGMSSA-N 0 3 261.796 3.812 20 30 CHEDHN CCN(CCC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000077266490 1128798944 /nfs/dbraw/zinc/79/89/44/1128798944.db2.gz GYJRLJHTXKWLRX-LLVKDONJSA-N 0 3 270.298 3.894 20 30 CHEDHN C=CCN1CCC(NC(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC000176301439 1118912964 /nfs/dbraw/zinc/91/29/64/1118912964.db2.gz NBZWDXYNRDBRHK-KRWDZBQOSA-N 0 3 294.483 3.606 20 30 CHEDHN N#Cc1cc(CNC2(c3ccc(F)cc3)CCCC2)ccn1 ZINC000610993388 1118918288 /nfs/dbraw/zinc/91/82/88/1118918288.db2.gz NINQZSCAPPJSSV-UHFFFAOYSA-N 0 3 295.361 3.651 20 30 CHEDHN Cc1cccc(C2(NCc3ccnc(C#N)c3)CCCC2)c1 ZINC000610993169 1118919322 /nfs/dbraw/zinc/91/93/22/1118919322.db2.gz GEWPYAVOFQFLTG-UHFFFAOYSA-N 0 3 291.398 3.821 20 30 CHEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1F)c1ccccc1 ZINC000539237311 1118983512 /nfs/dbraw/zinc/98/35/12/1118983512.db2.gz BSJVZQDOKVQYEL-AWEZNQCLSA-N 0 3 282.362 3.933 20 30 CHEDHN CCCCC[C@@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000539899495 1119022094 /nfs/dbraw/zinc/02/20/94/1119022094.db2.gz UQBXARAYJIJQBV-MRXNPFEDSA-N 0 3 296.418 3.751 20 30 CHEDHN C=CCC1(NCc2ncc(C3CC3)o2)CCCCC1 ZINC000625935084 1119072207 /nfs/dbraw/zinc/07/22/07/1119072207.db2.gz LXDVWXHOIIJFTK-UHFFFAOYSA-N 0 3 260.381 3.921 20 30 CHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2cccc(F)c2C#N)C1 ZINC000428445630 1119073948 /nfs/dbraw/zinc/07/39/48/1119073948.db2.gz HAUKSQQYJNHODJ-TZMCWYRMSA-N 0 3 260.356 3.708 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccncc2C)c([O-])c1 ZINC000588523159 1119093361 /nfs/dbraw/zinc/09/33/61/1119093361.db2.gz JLVUQKPIIBDONB-MOSHPQCFSA-N 0 3 297.402 3.561 20 30 CHEDHN C=C1CCC(CNCc2csc(C3CC3)n2)CC1 ZINC000724570425 1119129044 /nfs/dbraw/zinc/12/90/44/1119129044.db2.gz BUPYFZGCSFPUCO-UHFFFAOYSA-N 0 3 262.422 3.857 20 30 CHEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)c1cccs1 ZINC000342733361 1119147525 /nfs/dbraw/zinc/14/75/25/1119147525.db2.gz UAFQRNRJIKLWNK-AWEZNQCLSA-N 0 3 296.399 3.508 20 30 CHEDHN C=C(C)[C@H](CO)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000685005092 1119164756 /nfs/dbraw/zinc/16/47/56/1119164756.db2.gz SILGNJFDVYIGHU-HNNXBMFYSA-N 0 3 297.801 3.538 20 30 CHEDHN C=CCCNCc1csc(-c2ccc(C)cc2)n1 ZINC000657583018 1119195816 /nfs/dbraw/zinc/19/58/16/1119195816.db2.gz UATRMORTWFYIMF-UHFFFAOYSA-N 0 3 258.390 3.784 20 30 CHEDHN C=C[C@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000153667776 1119258109 /nfs/dbraw/zinc/25/81/09/1119258109.db2.gz FZBPVIQFPDCBRV-NSHDSACASA-N 0 3 272.304 3.519 20 30 CHEDHN C=CCCC[C@H](C)N(C)Cc1nc2ccccc2n1C ZINC000091514741 1119263865 /nfs/dbraw/zinc/26/38/65/1119263865.db2.gz UQYGMLUWAFUYMR-AWEZNQCLSA-N 0 3 271.408 3.750 20 30 CHEDHN CCCN(CC1(C#N)CC1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000343321974 1119385992 /nfs/dbraw/zinc/38/59/92/1119385992.db2.gz PGTJSFCTYMTVRZ-HZPDHXFCSA-N 0 3 290.451 3.740 20 30 CHEDHN C=C(CNCc1sccc1OC)c1ccccc1 ZINC000343759713 1119508638 /nfs/dbraw/zinc/50/86/38/1119508638.db2.gz DHNRISCDACEDFT-UHFFFAOYSA-N 0 3 259.374 3.560 20 30 CHEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(CC#N)cc1 ZINC000612121896 1119715235 /nfs/dbraw/zinc/71/52/35/1119715235.db2.gz SIZNLUJEEXXCQR-WFASDCNBSA-N 0 3 296.336 3.915 20 30 CHEDHN C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000179562218 1119750746 /nfs/dbraw/zinc/75/07/46/1119750746.db2.gz RSJRJQYXFNFOPQ-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000179562218 1119750749 /nfs/dbraw/zinc/75/07/49/1119750749.db2.gz RSJRJQYXFNFOPQ-UHFFFAOYSA-N 0 3 283.371 3.589 20 30 CHEDHN C=CCC(CC=C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000177197670 1119777431 /nfs/dbraw/zinc/77/74/31/1119777431.db2.gz NYLRZKSVCFRAMH-ZDUSSCGKSA-N 0 3 280.327 3.772 20 30 CHEDHN COc1ccc(C)cc1[C@@H](C)NCC(C)(C)CC#N ZINC000414162315 1119921828 /nfs/dbraw/zinc/92/18/28/1119921828.db2.gz GZCBXWXETSXORE-CYBMUJFWSA-N 0 3 260.381 3.594 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(F)c(F)c1 ZINC000414160399 1119922355 /nfs/dbraw/zinc/92/23/55/1119922355.db2.gz CVFMEUIKTIGSGT-SNVBAGLBSA-N 0 3 252.308 3.555 20 30 CHEDHN CC1(C#N)CCN(Cc2cccc3occc32)CC1 ZINC001236736728 1128885472 /nfs/dbraw/zinc/88/54/72/1128885472.db2.gz GNGOFCMGZJBHBP-UHFFFAOYSA-N 0 3 254.333 3.558 20 30 CHEDHN C=C(CNCc1cnc(Cl)c(F)c1)c1ccccc1 ZINC001649117484 1120062505 /nfs/dbraw/zinc/06/25/05/1120062505.db2.gz IRLLTMKGGIWDCJ-UHFFFAOYSA-N 0 3 276.742 3.677 20 30 CHEDHN COc1cccc2c1CC[C@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000153712438 1120164987 /nfs/dbraw/zinc/16/49/87/1120164987.db2.gz JSHLEYDSTLBZCL-FZKQIMNGSA-N 0 3 292.382 3.905 20 30 CHEDHN N#CCC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000542854904 1120183605 /nfs/dbraw/zinc/18/36/05/1120183605.db2.gz XQPVHJFUFZREER-UHFFFAOYSA-N 0 3 298.308 3.711 20 30 CHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000361861099 1120192295 /nfs/dbraw/zinc/19/22/95/1120192295.db2.gz VETFJCCRIYYOQT-NSHDSACASA-N 0 3 272.298 3.687 20 30 CHEDHN CC1(NCc2cc(C#N)ccc2Br)CC=CC1 ZINC000922223457 1120476515 /nfs/dbraw/zinc/47/65/15/1120476515.db2.gz JOMUXYWUTASYRU-UHFFFAOYSA-N 0 3 291.192 3.519 20 30 CHEDHN Cc1cc([C@@H]2CCCN2CCCCC2(C#N)CCC2)on1 ZINC000929286964 1120487427 /nfs/dbraw/zinc/48/74/27/1120487427.db2.gz ADVLJBROALUJBV-HNNXBMFYSA-N 0 3 287.407 3.984 20 30 CHEDHN N#CCC1(N[C@@H]2Cc3cccc(Cl)c3C2)CCCC1 ZINC001168718902 1120496053 /nfs/dbraw/zinc/49/60/53/1120496053.db2.gz SYDUMCLZRGQMHZ-CYBMUJFWSA-N 0 3 274.795 3.623 20 30 CHEDHN CC[C@@H](N[C@H](CO)c1ccccc1C)c1ccc(C#N)cc1 ZINC000618571608 1128920664 /nfs/dbraw/zinc/92/06/64/1128920664.db2.gz XLMZSOSTAFLRFO-RTBURBONSA-N 0 3 294.398 3.641 20 30 CHEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCC2(CCCCC2)O1 ZINC000318655815 1120531549 /nfs/dbraw/zinc/53/15/49/1120531549.db2.gz IJZLGAHQJZSUEU-GOSISDBHSA-N 0 3 298.430 3.872 20 30 CHEDHN N#Cc1csc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC000123674284 1120541684 /nfs/dbraw/zinc/54/16/84/1120541684.db2.gz GGNXRODRTLFXSC-MRXNPFEDSA-N 0 3 268.385 3.957 20 30 CHEDHN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(C#N)cc1 ZINC000276222327 1120551653 /nfs/dbraw/zinc/55/16/53/1120551653.db2.gz JCPHQOIVPWJOQW-ZDUSSCGKSA-N 0 3 282.309 3.721 20 30 CHEDHN CCOCCN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000093313996 1120557087 /nfs/dbraw/zinc/55/70/87/1120557087.db2.gz QMXLILPXJRYJSJ-UHFFFAOYSA-N 0 3 294.398 3.694 20 30 CHEDHN CCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC000922762260 1120594139 /nfs/dbraw/zinc/59/41/39/1120594139.db2.gz LNGVNQWUGHCTMN-UHFFFAOYSA-N 0 3 280.371 3.555 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000125374999 1120609446 /nfs/dbraw/zinc/60/94/46/1120609446.db2.gz DYDVTEMKMAXPOS-CYBMUJFWSA-N 0 3 286.762 3.794 20 30 CHEDHN CN(Cc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000162858624 1120694747 /nfs/dbraw/zinc/69/47/47/1120694747.db2.gz YWASDVKTKZTWEH-UHFFFAOYSA-N 0 3 262.784 3.976 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000093115897 1120707257 /nfs/dbraw/zinc/70/72/57/1120707257.db2.gz KGDYMORDIDJZBV-GOSISDBHSA-N 0 3 280.346 3.865 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000093116403 1120708385 /nfs/dbraw/zinc/70/83/85/1120708385.db2.gz FAWJDPVORNZTNA-INIZCTEOSA-N 0 3 286.375 3.926 20 30 CHEDHN COc1ccsc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618802487 1128937990 /nfs/dbraw/zinc/93/79/90/1128937990.db2.gz DXYOVNHUBDCRDB-XHDPSFHLSA-N 0 3 298.411 3.966 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1noc2c1CCCC2 ZINC000661118069 1120721147 /nfs/dbraw/zinc/72/11/47/1120721147.db2.gz WCCYHNFGGKPMIB-HIFRSBDPSA-N 0 3 274.408 3.778 20 30 CHEDHN CCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618743093 1128936023 /nfs/dbraw/zinc/93/60/23/1128936023.db2.gz WGTYMJVQUSGPNL-LJQANCHMSA-N 0 3 292.382 3.734 20 30 CHEDHN C=CCC1(NCc2noc3c2CCCC3)CCCC1 ZINC000661848340 1120824019 /nfs/dbraw/zinc/82/40/19/1120824019.db2.gz LAXNHLALBHANFT-UHFFFAOYSA-N 0 3 260.381 3.532 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(C)=O)c1 ZINC000662091528 1120874359 /nfs/dbraw/zinc/87/43/59/1120874359.db2.gz ZLYJUNZGAQINJB-CALCHBBNSA-N 0 3 255.361 3.572 20 30 CHEDHN C=C(C)CCc1ccccc1NCCN1CCSCC1 ZINC001167836691 1121039163 /nfs/dbraw/zinc/03/91/63/1121039163.db2.gz CSQCYUKPHPKZFP-UHFFFAOYSA-N 0 3 290.476 3.656 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cc(C#N)cs1 ZINC000512051814 1121039204 /nfs/dbraw/zinc/03/92/04/1121039204.db2.gz KQDQIFGGYMMVSY-UHFFFAOYSA-N 0 3 282.412 3.850 20 30 CHEDHN CN1CCCC[C@H]1c1ccc(N[C@H]2CC[C@H](C#N)CC2)nc1 ZINC001167844464 1121075524 /nfs/dbraw/zinc/07/55/24/1121075524.db2.gz PEVWEMOIYJZJCL-XIRDDKMYSA-N 0 3 298.434 3.733 20 30 CHEDHN C=CCCCN(C)Cc1cccc(OC)c1OC(F)F ZINC000093533600 1128963309 /nfs/dbraw/zinc/96/33/09/1128963309.db2.gz RWSIANQDITXFLP-UHFFFAOYSA-N 0 3 285.334 3.695 20 30 CHEDHN CC[C@@H](C)CN(C)c1ccc(F)cc1CNCCCC#N ZINC000344309256 1121140656 /nfs/dbraw/zinc/14/06/56/1121140656.db2.gz SPIAENSLRUJRLZ-CQSZACIVSA-N 0 3 291.414 3.701 20 30 CHEDHN C/C=C\C[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC001175052503 1121162084 /nfs/dbraw/zinc/16/20/84/1121162084.db2.gz GCLBKLSSCMDMKN-KYVUIXNKSA-N 0 3 271.379 3.855 20 30 CHEDHN C/C=C\C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC001175052502 1121162479 /nfs/dbraw/zinc/16/24/79/1121162479.db2.gz GCLBKLSSCMDMKN-BAHPRDJBSA-N 0 3 271.379 3.855 20 30 CHEDHN CCc1ccc(CNCc2ccc(OCC#N)cc2)s1 ZINC000066593971 1121204724 /nfs/dbraw/zinc/20/47/24/1121204724.db2.gz NJQCSXABIKNBIL-UHFFFAOYSA-N 0 3 286.400 3.503 20 30 CHEDHN CCCCCCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC000773480388 1121260046 /nfs/dbraw/zinc/26/00/46/1121260046.db2.gz CAHJRHQODQQKKC-SFHVURJKSA-N 0 3 296.499 3.534 20 30 CHEDHN CCC#C[C@H](C)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC001168757457 1121299518 /nfs/dbraw/zinc/29/95/18/1121299518.db2.gz FJOARUUVBOORGN-SUMWQHHRSA-N 0 3 259.368 3.977 20 30 CHEDHN C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1[O-] ZINC001175418438 1121318397 /nfs/dbraw/zinc/31/83/97/1121318397.db2.gz JVQNVLRIXKYZGF-CYBMUJFWSA-N 0 3 285.774 3.748 20 30 CHEDHN CC1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCC1 ZINC000432810759 1121375065 /nfs/dbraw/zinc/37/50/65/1121375065.db2.gz AULNPYRNGSDSDA-IRXDYDNUSA-N 0 3 268.404 3.948 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000619287021 1128982337 /nfs/dbraw/zinc/98/23/37/1128982337.db2.gz GYAGNNFGDIJOKM-FZMZJTMJSA-N 0 3 282.309 3.639 20 30 CHEDHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000414185263 1121403235 /nfs/dbraw/zinc/40/32/35/1121403235.db2.gz PFAPPKBCBBHDSO-NORZTCDRSA-N 0 3 260.356 3.783 20 30 CHEDHN C=C(C)[C@H](NC[C@@H](O)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000676495816 1121439877 /nfs/dbraw/zinc/43/98/77/1121439877.db2.gz MNQCVUDWHCVNJV-CABCVRRESA-N 0 3 283.362 3.579 20 30 CHEDHN C=CCCC[C@@H](NC/C=C(\C)C(=O)OC)c1ccccc1 ZINC001175767175 1121459752 /nfs/dbraw/zinc/45/97/52/1121459752.db2.gz IKEUGQAHABGKJJ-LCJXNMAOSA-N 0 3 287.403 3.793 20 30 CHEDHN C#CCC1(NCc2nc(-c3ccccc3)cs2)CCC1 ZINC000922997234 1121509622 /nfs/dbraw/zinc/50/96/22/1121509622.db2.gz HFJGROQBBNEEET-UHFFFAOYSA-N 0 3 282.412 3.846 20 30 CHEDHN Cc1cccc(OCCN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512653612 1121509955 /nfs/dbraw/zinc/50/99/55/1121509955.db2.gz GAVUHGNYQWLMNQ-AWEZNQCLSA-N 0 3 298.361 3.735 20 30 CHEDHN C=CCC1(NCc2noc3c2CCCC3)CCCCC1 ZINC000625936626 1121554097 /nfs/dbraw/zinc/55/40/97/1121554097.db2.gz RVJUHAOLSIRNCV-UHFFFAOYSA-N 0 3 274.408 3.922 20 30 CHEDHN C=CCC1(NCc2nc3ccccc3c(=O)[nH]2)CCCCC1 ZINC000625935687 1121556072 /nfs/dbraw/zinc/55/60/72/1121556072.db2.gz JBVBDGKYOMMXSK-UHFFFAOYSA-N 0 3 297.402 3.704 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419305839 1121635442 /nfs/dbraw/zinc/63/54/42/1121635442.db2.gz XMCKXJABFIWCDR-OAHLLOKOSA-N 0 3 292.373 3.912 20 30 CHEDHN CC(C)(C#N)CCN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412017266 1121638037 /nfs/dbraw/zinc/63/80/37/1121638037.db2.gz XZDPBOVKECBFHR-KRWDZBQOSA-N 0 3 298.430 3.780 20 30 CHEDHN CC(C)CN(CCc1ccc(F)cc1)CC1(C#N)CC1 ZINC000611429324 1121647280 /nfs/dbraw/zinc/64/72/80/1121647280.db2.gz RMGUJCVMTNSXGW-UHFFFAOYSA-N 0 3 274.383 3.630 20 30 CHEDHN C=CCO[C@@H]1CCN(Cc2cc(C(C)C)ccc2OC)C1 ZINC001118304437 1121657205 /nfs/dbraw/zinc/65/72/05/1121657205.db2.gz IETYUGYSZVYCNU-QGZVFWFLSA-N 0 3 289.419 3.596 20 30 CHEDHN CCCCCCCCN[C@H](CO)c1cc(F)ccc1F ZINC001176925324 1121699885 /nfs/dbraw/zinc/69/98/85/1121699885.db2.gz BILJQPKUDYSWQL-MRXNPFEDSA-N 0 3 285.378 3.948 20 30 CHEDHN C=CCOc1cccc(CNCc2cccc(OC)c2)c1 ZINC001177061921 1121708589 /nfs/dbraw/zinc/70/85/89/1121708589.db2.gz WJOIFDGKGIFAQP-UHFFFAOYSA-N 0 3 283.371 3.550 20 30 CHEDHN C=C(CNCc1ccc(C)cc1OC)c1ccccc1 ZINC001177687561 1121746001 /nfs/dbraw/zinc/74/60/01/1121746001.db2.gz BVRAJMINBQKKBA-UHFFFAOYSA-N 0 3 267.372 3.807 20 30 CHEDHN C=C[C@@H](C)NCc1cc2cc(Br)ccc2o1 ZINC001178165603 1121768457 /nfs/dbraw/zinc/76/84/57/1121768457.db2.gz AQLXWNLPQTUBFY-SECBINFHSA-N 0 3 280.165 3.859 20 30 CHEDHN C=C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001178165664 1121769262 /nfs/dbraw/zinc/76/92/62/1121769262.db2.gz DBKNJWROASXDKE-NSHDSACASA-N 0 3 272.304 3.519 20 30 CHEDHN COc1cccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000037771488 1129009823 /nfs/dbraw/zinc/00/98/23/1129009823.db2.gz YVRSGFGOESRNLF-KGLIPLIRSA-N 0 3 280.371 3.979 20 30 CHEDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCC1(C#N)CCC1 ZINC001119605845 1121818783 /nfs/dbraw/zinc/81/87/83/1121818783.db2.gz BFGJRQMBZKXSGZ-STQMWFEESA-N 0 3 270.376 3.532 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1cnn(C2CCCC2)c1 ZINC000414169788 1121833285 /nfs/dbraw/zinc/83/32/85/1121833285.db2.gz SBSDSFGHCCIFSZ-CYBMUJFWSA-N 0 3 274.412 3.589 20 30 CHEDHN C=CC(C)(C)CCCNCc1cn(-c2ccccc2C)nn1 ZINC001179515959 1121882827 /nfs/dbraw/zinc/88/28/27/1121882827.db2.gz MSHFUSZTDYQLEM-UHFFFAOYSA-N 0 3 298.434 3.658 20 30 CHEDHN C=CC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000732180843 1121909897 /nfs/dbraw/zinc/90/98/97/1121909897.db2.gz FTEWBZPZEVFXGB-UHFFFAOYSA-N 0 3 297.398 3.952 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCc2ccccc2C1 ZINC001179845865 1121917662 /nfs/dbraw/zinc/91/76/62/1121917662.db2.gz YOGFBDHXALSSEF-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN C=CCC[C@H](CC)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001180821168 1122016151 /nfs/dbraw/zinc/01/61/51/1122016151.db2.gz WPMWBDKVJWLVKG-WCQYABFASA-N 0 3 267.319 3.733 20 30 CHEDHN C[C@]1(Cc2ccc(F)cc2)CCCN1CC1(C#N)CC1 ZINC000420934017 1122045179 /nfs/dbraw/zinc/04/51/79/1122045179.db2.gz WQZPWWTYNOZHSH-MRXNPFEDSA-N 0 3 272.367 3.526 20 30 CHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000618807240 1122056796 /nfs/dbraw/zinc/05/67/96/1122056796.db2.gz WSSVNVIHISPYSC-DJJJIMSYSA-N 0 3 287.366 3.768 20 30 CHEDHN CCOCc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421324546 1122092465 /nfs/dbraw/zinc/09/24/65/1122092465.db2.gz INUBSNAKEUUOMG-UHFFFAOYSA-N 0 3 298.361 3.524 20 30 CHEDHN CC(C)(NCc1ccc(OCC#N)cc1)c1cccc(F)c1 ZINC000271826784 1122177657 /nfs/dbraw/zinc/17/76/57/1122177657.db2.gz TUEBCIKHSYIQHV-UHFFFAOYSA-N 0 3 298.361 3.753 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001182795497 1122186812 /nfs/dbraw/zinc/18/68/12/1122186812.db2.gz CXBCCWXXBIKRAI-CYBMUJFWSA-N 0 3 294.389 3.819 20 30 CHEDHN C=CCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076154177 1129050733 /nfs/dbraw/zinc/05/07/33/1129050733.db2.gz HGITVTYIEHAZFZ-DLBZAZTESA-N 0 3 254.377 3.724 20 30 CHEDHN CC(C)[C@@H]1N(Cc2cc(C#N)cs2)CC12CCC2 ZINC000430097437 1122403533 /nfs/dbraw/zinc/40/35/33/1122403533.db2.gz QXFDUJCRZATRLX-AWEZNQCLSA-N 0 3 260.406 3.630 20 30 CHEDHN C#C[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000775186049 1122470732 /nfs/dbraw/zinc/47/07/32/1122470732.db2.gz ZKUAPSDSBXBVMM-AWEZNQCLSA-N 0 3 265.356 3.513 20 30 CHEDHN C#C[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000775186049 1122470735 /nfs/dbraw/zinc/47/07/35/1122470735.db2.gz ZKUAPSDSBXBVMM-AWEZNQCLSA-N 0 3 265.356 3.513 20 30 CHEDHN Cc1cc(OCCC[C@H](C)NC[C@H](C)C#N)ccc1Cl ZINC000515389579 1122495346 /nfs/dbraw/zinc/49/53/46/1122495346.db2.gz IQHCWCIRWWTNQS-OCCSQVGLSA-N 0 3 294.826 3.945 20 30 CHEDHN Cc1cccc([C@H](C)NCc2cccc(OCC#N)c2)c1 ZINC000157230471 1122526920 /nfs/dbraw/zinc/52/69/20/1122526920.db2.gz JLPFCSGYZAJIHV-HNNXBMFYSA-N 0 3 280.371 3.748 20 30 CHEDHN C=CCC[C@@H](O)CNC(C)(C)c1cc(Cl)ccc1OC ZINC000425512326 1122538805 /nfs/dbraw/zinc/53/88/05/1122538805.db2.gz MTKJWHYMDYMFNQ-CYBMUJFWSA-N 0 3 297.826 3.500 20 30 CHEDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1[O-] ZINC000775414655 1122557692 /nfs/dbraw/zinc/55/76/92/1122557692.db2.gz JWZKWFLQAKUYAL-MRXNPFEDSA-N 0 3 296.370 3.513 20 30 CHEDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1cc(C#N)ccn1 ZINC001191006418 1122564478 /nfs/dbraw/zinc/56/44/78/1122564478.db2.gz ZOKVJRSYZLOWIE-ZDUSSCGKSA-N 0 3 299.805 3.670 20 30 CHEDHN CCCCCN(CCCOC)Cc1cccc(C#N)c1F ZINC000505850890 1122565417 /nfs/dbraw/zinc/56/54/17/1122565417.db2.gz JMZSYGHJQJEYMV-UHFFFAOYSA-N 0 3 292.398 3.726 20 30 CHEDHN Clc1ccc(C#CCN2CCC3(CCCC3)C2)cc1 ZINC001191192952 1122584354 /nfs/dbraw/zinc/58/43/54/1122584354.db2.gz IYMLWBXJNIBMGG-UHFFFAOYSA-N 0 3 273.807 3.958 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C(C)(C)C1 ZINC000437817330 1122657878 /nfs/dbraw/zinc/65/78/78/1122657878.db2.gz BUCIEJHGGUHSOP-LLVKDONJSA-N 0 3 294.345 3.780 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000437849830 1122723938 /nfs/dbraw/zinc/72/39/38/1122723938.db2.gz GFUZMFQFSNJCFI-LJQANCHMSA-N 0 3 296.414 3.889 20 30 CHEDHN C=C(C)CCNC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000509605245 1122791246 /nfs/dbraw/zinc/79/12/46/1122791246.db2.gz PEHXOHNFALEQLU-UHFFFAOYSA-N 0 3 278.343 3.953 20 30 CHEDHN CCCCCCCCCCOC(=O)N[C@H]1CCN(C)C1 ZINC001194928003 1122823170 /nfs/dbraw/zinc/82/31/70/1122823170.db2.gz FPULRDQYRILMHL-HNNXBMFYSA-N 0 3 284.444 3.557 20 30 CHEDHN N#CCC1(CN2CCCC[C@@H]2Cc2ccccc2F)CC1 ZINC001195872915 1122895244 /nfs/dbraw/zinc/89/52/44/1122895244.db2.gz GMSZUTHSZWTCPW-MRXNPFEDSA-N 0 3 286.394 3.917 20 30 CHEDHN Cc1ccc(CN2CCc3c(CC#N)cccc3C2)c(C)c1 ZINC001196623677 1122928294 /nfs/dbraw/zinc/92/82/94/1122928294.db2.gz SKEJFDXSYHFZPB-UHFFFAOYSA-N 0 3 290.410 3.928 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2n[nH]cc2c1 ZINC000507272324 1122945483 /nfs/dbraw/zinc/94/54/83/1122945483.db2.gz LCKNYBPVJLKCSZ-QWHCGFSZSA-N 0 3 290.370 3.846 20 30 CHEDHN C#CCCN1CCC[C@@]1(C)Cc1cc(F)c(F)c(F)c1 ZINC001197368871 1122956152 /nfs/dbraw/zinc/95/61/52/1122956152.db2.gz OCWCLXRGHBKXIJ-INIZCTEOSA-N 0 3 281.321 3.524 20 30 CHEDHN CCC(C)(C)N(C)Cc1ccc(Br)cc1C#N ZINC000383408026 1122983738 /nfs/dbraw/zinc/98/37/38/1122983738.db2.gz SFCBBFHPRCSSBP-UHFFFAOYSA-N 0 3 295.224 3.941 20 30 CHEDHN N#Cc1ccccc1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000507664810 1122983297 /nfs/dbraw/zinc/98/32/97/1122983297.db2.gz HZWSVMWQHUNSEG-KRWDZBQOSA-N 0 3 276.383 3.623 20 30 CHEDHN C=CC[C@@H]1CCN1CCCc1c(F)cccc1F ZINC001198491165 1122994522 /nfs/dbraw/zinc/99/45/22/1122994522.db2.gz OPTANBBAYYWRKU-GFCCVEGCSA-N 0 3 251.320 3.548 20 30 CHEDHN C=CCCC[C@H](C)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000775858475 1122994974 /nfs/dbraw/zinc/99/49/74/1122994974.db2.gz ZEZSNVNSORFCMR-NSHDSACASA-N 0 3 277.330 3.575 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 ZINC000105461117 1123052057 /nfs/dbraw/zinc/05/20/57/1123052057.db2.gz JCBIPBCALQUIIS-ZIAGYGMSSA-N 0 3 296.370 3.534 20 30 CHEDHN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCC#N ZINC000441064759 1123054747 /nfs/dbraw/zinc/05/47/47/1123054747.db2.gz JGIPDDORMCRILI-JXFKEZNVSA-N 0 3 290.410 3.979 20 30 CHEDHN CCN(C)c1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000776154668 1123086263 /nfs/dbraw/zinc/08/62/63/1123086263.db2.gz CEVCECVXYHLMII-HNNXBMFYSA-N 0 3 293.414 3.865 20 30 CHEDHN Cc1cc(F)ncc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000894963969 1123093113 /nfs/dbraw/zinc/09/31/13/1123093113.db2.gz HWTZQSAFOMOTBV-KRWDZBQOSA-N 0 3 295.361 3.568 20 30 CHEDHN N#CCCC[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000340448405 1123145589 /nfs/dbraw/zinc/14/55/89/1123145589.db2.gz SMPKXCGBSNDLQM-IAGOWNOFSA-N 0 3 294.402 3.812 20 30 CHEDHN CCCCCCCN1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001201761344 1123147732 /nfs/dbraw/zinc/14/77/32/1123147732.db2.gz ATCYSTMQKLWDHY-CQSZACIVSA-N 0 3 285.428 3.983 20 30 CHEDHN CCCCCCCCCCN1CCn2cncc2C1 ZINC001201874967 1123156830 /nfs/dbraw/zinc/15/68/30/1123156830.db2.gz MSBZLAQZJMCIBI-UHFFFAOYSA-N 0 3 263.429 3.839 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(OC)cc2C)cc1 ZINC000776252852 1123179709 /nfs/dbraw/zinc/17/97/09/1123179709.db2.gz IHBCBIKXIBLAMP-UHFFFAOYSA-N 0 3 297.398 3.858 20 30 CHEDHN FC(F)(F)CCN1CCC(C#Cc2ccccc2)CC1 ZINC001202355953 1123200827 /nfs/dbraw/zinc/20/08/27/1123200827.db2.gz HIRKQRSSLJBAOC-UHFFFAOYSA-N 0 3 281.321 3.703 20 30 CHEDHN CCC#C[C@H](C)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000665197584 1123226939 /nfs/dbraw/zinc/22/69/39/1123226939.db2.gz GGWHJGRJKRSXSH-FUHWJXTLSA-N 0 3 283.415 3.642 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc(C(=O)OC)s1 ZINC000466966860 1123234388 /nfs/dbraw/zinc/23/43/88/1123234388.db2.gz JWJZNTUMQQEIJO-UHFFFAOYSA-N 0 3 281.421 3.713 20 30 CHEDHN CCOc1ccc(CNCc2ccc(C#N)cc2)c(C)c1 ZINC000850034154 1123237613 /nfs/dbraw/zinc/23/76/13/1123237613.db2.gz ZIMDNQILWUVJQJ-UHFFFAOYSA-N 0 3 280.371 3.555 20 30 CHEDHN C=CCOc1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850369087 1123258451 /nfs/dbraw/zinc/25/84/51/1123258451.db2.gz HJPVOCYJZDWQSJ-OALUTQOASA-N 0 3 295.382 3.519 20 30 CHEDHN C#Cc1ccc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1 ZINC000850395607 1123262515 /nfs/dbraw/zinc/26/25/15/1123262515.db2.gz IYDOLHQAYUXTSW-VQTJNVASSA-N 0 3 293.410 3.516 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N(Cc2cccc(F)c2C#N)C1 ZINC000428229456 1123284577 /nfs/dbraw/zinc/28/45/77/1123284577.db2.gz FTFYSOJQVVDNKG-OLZOCXBDSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1ccc(O)c([C@@H](C)NCC2(C#N)CCCCC2)c1 ZINC000850549012 1123288976 /nfs/dbraw/zinc/28/89/76/1123288976.db2.gz CJABHAHZOOCNAI-CQSZACIVSA-N 0 3 272.392 3.825 20 30 CHEDHN N#CC(C(=O)C1CC2(C1)CCCCC2)c1ccccn1 ZINC000850755835 1123300484 /nfs/dbraw/zinc/30/04/84/1123300484.db2.gz JOQCGNWKDPLFAD-CQSZACIVSA-N 0 3 268.360 3.618 20 30 CHEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000114617981 1123569682 /nfs/dbraw/zinc/56/96/82/1123569682.db2.gz PTKJPYOMNYFVEQ-CJNGLKHVSA-N 0 3 298.386 3.550 20 30 CHEDHN CCCC(=O)Nc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185781882 1123611414 /nfs/dbraw/zinc/61/14/14/1123611414.db2.gz XIAUJRUZYZTQCA-ZBFHGGJFSA-N 0 3 299.418 3.597 20 30 CHEDHN C=C(CNCc1cn(C(C)C)nc1C)c1ccccc1 ZINC000281149123 1123683422 /nfs/dbraw/zinc/68/34/22/1123683422.db2.gz AZNKOJQLPINPRT-UHFFFAOYSA-N 0 3 269.392 3.575 20 30 CHEDHN CC[C@@H](NCCCC#N)c1cc(Cl)ccc1OC ZINC000346801641 1123714425 /nfs/dbraw/zinc/71/44/25/1123714425.db2.gz BTAUKSURCDOLQR-CYBMUJFWSA-N 0 3 266.772 3.693 20 30 CHEDHN Cc1cc(CN[C@H]2CCc3cc(F)ccc32)ccc1C#N ZINC000443981346 1123717086 /nfs/dbraw/zinc/71/70/86/1123717086.db2.gz RQFOGUAQFFUENH-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN N#CC(C(=O)CC(C1CCC1)C1CCC1)c1ccccn1 ZINC000860469100 1123734802 /nfs/dbraw/zinc/73/48/02/1123734802.db2.gz XEZNZEPQDJIZCD-MRXNPFEDSA-N 0 3 282.387 3.864 20 30 CHEDHN COc1cc(CN[C@@H]2CCc3cc(C)ccc32)ccc1C#N ZINC000281655559 1123734982 /nfs/dbraw/zinc/73/49/82/1123734982.db2.gz KJRLIMFWRSFCIZ-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN C=C(Br)CN1CCCC[C@@H]1[C@H](C)CC ZINC000740423361 1123750863 /nfs/dbraw/zinc/75/08/63/1123750863.db2.gz HSEDCUHSVHYIRS-ZYHUDNBSSA-N 0 3 260.219 3.796 20 30 CHEDHN C#CC[C@H]1CCN(Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000862445067 1123811576 /nfs/dbraw/zinc/81/15/76/1123811576.db2.gz LESSPCWFFNAPLA-NSHDSACASA-N 0 3 299.748 3.787 20 30 CHEDHN CCN(CC1CCC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794681090 1123926898 /nfs/dbraw/zinc/92/68/98/1123926898.db2.gz AJKJJOALQAEBAR-UHFFFAOYSA-N 0 3 294.402 3.501 20 30 CHEDHN C=CC[C@@H](CC)NCc1nccc(C)c1Br ZINC000865553190 1123994195 /nfs/dbraw/zinc/99/41/95/1123994195.db2.gz GCIQPGLHQBCHAC-LLVKDONJSA-N 0 3 283.213 3.597 20 30 CHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc(C(C)(C)C)cs1 ZINC000865551990 1123994601 /nfs/dbraw/zinc/99/46/01/1123994601.db2.gz BHTHXTWYNGXUHR-IUODEOHRSA-N 0 3 294.464 3.511 20 30 CHEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccsc1Cl)C2 ZINC000865847161 1124020757 /nfs/dbraw/zinc/02/07/57/1124020757.db2.gz ICKYXMKWHCLHTQ-CQSZACIVSA-N 0 3 288.803 3.530 20 30 CHEDHN CC(C)CCN(CCC#N)CCCCC(C)(C)C#N ZINC000444651065 1124048714 /nfs/dbraw/zinc/04/87/14/1124048714.db2.gz UNQSXZZHLDPRQK-UHFFFAOYSA-N 0 3 263.429 3.968 20 30 CHEDHN C#CC[C@@H](N[C@@H]1CCCc2ncccc21)c1ccccc1 ZINC000866312596 1124050852 /nfs/dbraw/zinc/05/08/52/1124050852.db2.gz OUAWDVFBTSYQJC-IEBWSBKVSA-N 0 3 276.383 3.813 20 30 CHEDHN CC(C)(C)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)o1 ZINC000866573028 1124084122 /nfs/dbraw/zinc/08/41/22/1124084122.db2.gz FWMPWQZHLWYERF-OLZOCXBDSA-N 0 3 260.381 3.749 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCc1ncc(Br)s1 ZINC000866617244 1124089431 /nfs/dbraw/zinc/08/94/31/1124089431.db2.gz ZVGVTTLJTRGHPY-IUCAKERBSA-N 0 3 289.242 3.596 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040825 1124664629 /nfs/dbraw/zinc/66/46/29/1124664629.db2.gz CPGTXPBFKPNSCD-VHSXEESVSA-N 0 3 266.366 3.542 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(C(F)(F)F)s2)C1 ZINC000872108682 1124685030 /nfs/dbraw/zinc/68/50/30/1124685030.db2.gz WQODAOJKZPJMRA-ZJUUUORDSA-N 0 3 288.338 3.939 20 30 CHEDHN C=CC[C@H]1CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000872111593 1124685190 /nfs/dbraw/zinc/68/51/90/1124685190.db2.gz CJSODJLNDDPCQE-VHSXEESVSA-N 0 3 256.802 3.631 20 30 CHEDHN CC(C)COc1ccccc1CNCC1(CC#N)CC1 ZINC000449297723 1124685995 /nfs/dbraw/zinc/68/59/95/1124685995.db2.gz DREJZHIWTFUBBZ-UHFFFAOYSA-N 0 3 272.392 3.505 20 30 CHEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872131007 1124691724 /nfs/dbraw/zinc/69/17/24/1124691724.db2.gz UXHNZDQNJBNJQN-NTZNESFSSA-N 0 3 297.324 3.833 20 30 CHEDHN N#CCc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000528655992 1124733926 /nfs/dbraw/zinc/73/39/26/1124733926.db2.gz DORRPTCANGYXDF-LJQANCHMSA-N 0 3 291.398 3.779 20 30 CHEDHN C=C(C)CCNCc1csc(-c2ccccc2)n1 ZINC000449475601 1124752758 /nfs/dbraw/zinc/75/27/58/1124752758.db2.gz LSAANTUPPFVNNZ-UHFFFAOYSA-N 0 3 258.390 3.866 20 30 CHEDHN C=C(Br)CN[C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000125106042 1124850056 /nfs/dbraw/zinc/85/00/56/1124850056.db2.gz HCNBZBSNAVIGNE-NWDGAFQWSA-N 0 3 298.224 3.685 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCCC12CC2)c1ccc2ccccc2n1 ZINC000528915617 1124841778 /nfs/dbraw/zinc/84/17/78/1124841778.db2.gz UDMDIPPCTHQGAT-GJZGRUSLSA-N 0 3 290.366 3.991 20 30 CHEDHN C=C(Br)CN[C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000125106494 1124850702 /nfs/dbraw/zinc/85/07/02/1124850702.db2.gz HCNBZBSNAVIGNE-RYUDHWBXSA-N 0 3 298.224 3.685 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc(OC(C)=O)cc1 ZINC000125598880 1124904879 /nfs/dbraw/zinc/90/48/79/1124904879.db2.gz HVRNKWGVXBFUIQ-UHFFFAOYSA-N 0 3 295.382 3.800 20 30 CHEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876928084 1124991801 /nfs/dbraw/zinc/99/18/01/1124991801.db2.gz SYWPJODDCNMMMI-UHFFFAOYSA-N 0 3 299.805 3.674 20 30 CHEDHN C#CCCCCCCN[C@](C)(CC)c1nccs1 ZINC000877049357 1125003102 /nfs/dbraw/zinc/00/31/02/1125003102.db2.gz TVBXFMBLPVROFJ-OAHLLOKOSA-N 0 3 264.438 3.942 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccsc1C(F)(F)F ZINC000529597666 1125011420 /nfs/dbraw/zinc/01/14/20/1125011420.db2.gz XKUAIDLSZSPVGZ-MNOVXSKESA-N 0 3 291.338 3.590 20 30 CHEDHN CC1(C)CN(CC2(C#N)CCC2)C[C@H]1c1ccccc1 ZINC000450591345 1125066256 /nfs/dbraw/zinc/06/62/56/1125066256.db2.gz XBGGBQBEFUVVJE-INIZCTEOSA-N 0 3 268.404 3.806 20 30 CHEDHN C[C@@H](NCC1(C#N)CCC1)C(C)(C)c1ccccc1 ZINC000450669309 1125082087 /nfs/dbraw/zinc/08/20/87/1125082087.db2.gz RZZFVMAMKDYONI-CQSZACIVSA-N 0 3 256.393 3.636 20 30 CHEDHN C=CCN(C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000450770518 1125100866 /nfs/dbraw/zinc/10/08/66/1125100866.db2.gz ZAZDUXVIXZCXSN-LLVKDONJSA-N 0 3 257.299 3.970 20 30 CHEDHN CC(=O)[C@@](C#N)(CCN1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000878088573 1125118296 /nfs/dbraw/zinc/11/82/96/1125118296.db2.gz SNZFBPNMRUZIHF-FCEWJHQRSA-N 0 3 298.430 3.690 20 30 CHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc2c(o1)CCCC2 ZINC000878885808 1125183887 /nfs/dbraw/zinc/18/38/87/1125183887.db2.gz QTOXHRHSRBKDAG-ZIAGYGMSSA-N 0 3 274.408 3.778 20 30 CHEDHN C[C@@H]1c2ccccc2CCN1CCOc1ccc(C#N)cc1 ZINC000530902115 1125185791 /nfs/dbraw/zinc/18/57/91/1125185791.db2.gz JGRBGAUMAWMZOD-OAHLLOKOSA-N 0 3 292.382 3.556 20 30 CHEDHN C=CC[C@H](C)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000878993689 1125190505 /nfs/dbraw/zinc/19/05/05/1125190505.db2.gz IFNVTIFGQODBSE-CABZTGNLSA-N 0 3 274.191 3.581 20 30 CHEDHN Cc1ccc(CN(C)CCc2cccc(C#N)c2)nc1Cl ZINC000879432303 1125213949 /nfs/dbraw/zinc/21/39/49/1125213949.db2.gz HRAHLFJRNCTABV-UHFFFAOYSA-N 0 3 299.805 3.590 20 30 CHEDHN CC(C)C[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC001168146823 1125263731 /nfs/dbraw/zinc/26/37/31/1125263731.db2.gz STTIVKQXBHDUOY-CQSZACIVSA-N 0 3 274.383 3.955 20 30 CHEDHN C=CCCC[C@H](NCc1ccnn1C)c1ccccc1 ZINC000880390194 1125272378 /nfs/dbraw/zinc/27/23/78/1125272378.db2.gz NXBRSONIZLPRHM-KRWDZBQOSA-N 0 3 269.392 3.607 20 30 CHEDHN C=CCCC[C@@H](NCc1ccnn1C)c1ccccc1 ZINC000880390195 1125272503 /nfs/dbraw/zinc/27/25/03/1125272503.db2.gz NXBRSONIZLPRHM-QGZVFWFLSA-N 0 3 269.392 3.607 20 30 CHEDHN CC(C)(C#N)CN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000168931244 1125355540 /nfs/dbraw/zinc/35/55/40/1125355540.db2.gz NENMSPDKJXZCTA-CVEARBPZSA-N 0 3 256.393 3.852 20 30 CHEDHN Cn1cc(CN[C@H](c2cccc(F)c2)C(C)(C)C)cc1C#N ZINC000191292053 1125356782 /nfs/dbraw/zinc/35/67/82/1125356782.db2.gz YLALUNDZSJYVEA-QGZVFWFLSA-N 0 3 299.393 3.913 20 30 CHEDHN N#Cc1ccccc1-c1ccc(CN2CCSCC2)cc1 ZINC000103467871 1125363995 /nfs/dbraw/zinc/36/39/95/1125363995.db2.gz LBWBSNMOTKMTEP-UHFFFAOYSA-N 0 3 294.423 3.774 20 30 CHEDHN C=CCC[C@@H](NCc1cc(C)cc(Cl)n1)[C@@H]1CCCO1 ZINC000883221318 1125379802 /nfs/dbraw/zinc/37/98/02/1125379802.db2.gz YWKNZXYXFXFASR-CABCVRRESA-N 0 3 294.826 3.647 20 30 CHEDHN C=CCC[C@H](NCC1(C#N)CCCCC1)[C@H]1CCCO1 ZINC000883236289 1125382305 /nfs/dbraw/zinc/38/23/05/1125382305.db2.gz YBMYUFJIZFFPBQ-JKSUJKDBSA-N 0 3 276.424 3.564 20 30 CHEDHN CCc1ccc(CNCc2ccc(C#N)c(F)c2)s1 ZINC000404137232 1125411076 /nfs/dbraw/zinc/41/10/76/1125411076.db2.gz XYUMOTGNEXFGCT-UHFFFAOYSA-N 0 3 274.364 3.611 20 30 CHEDHN C=C(C)COCCN[C@@H](CC)c1ccc(F)cc1F ZINC000125717737 1125451013 /nfs/dbraw/zinc/45/10/13/1125451013.db2.gz GYSUJIUUHZIVEO-HNNXBMFYSA-N 0 3 269.335 3.598 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)c1ccccc1C)c1ccco1 ZINC000796762402 1129274197 /nfs/dbraw/zinc/27/41/97/1129274197.db2.gz UXJYEZNNRJWSKO-IRXDYDNUSA-N 0 3 285.387 3.919 20 30 CHEDHN CCCCC[C@H](CC)NC(=N)c1ccc(Cl)cn1 ZINC001258431348 1129333309 /nfs/dbraw/zinc/33/33/09/1129333309.db2.gz DBEIQEWWACDFJB-LBPRGKRZSA-N 0 3 267.804 3.799 20 30 CHEDHN CC(C)(NCc1cccc(C#N)c1)c1ccccc1 ZINC000065275097 1129401534 /nfs/dbraw/zinc/40/15/34/1129401534.db2.gz SXMONQOUTGYAPS-UHFFFAOYSA-N 0 3 250.345 3.583 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccncc2)c1 ZINC000743478371 1129527133 /nfs/dbraw/zinc/52/71/33/1129527133.db2.gz ZWPTWFDRYONLOL-RHSMWYFYSA-N 0 3 295.386 3.613 20 30 CHEDHN C=C(Br)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000743854331 1129539727 /nfs/dbraw/zinc/53/97/27/1129539727.db2.gz UHFDEICOENITMP-GRYCIOLGSA-N 0 3 258.203 3.548 20 30 CHEDHN C=CCCCCN1CCCC[C@]12CC(=O)N([C@@H](C)CC)C2 ZINC001276346379 1129541428 /nfs/dbraw/zinc/54/14/28/1129541428.db2.gz TXOZIOJVUNIOEI-FUHWJXTLSA-N 0 3 292.467 3.598 20 30 CHEDHN CCN(CC)Cc1cc(-c2ccc(C#N)nc2)ccc1F ZINC001241435166 1129543028 /nfs/dbraw/zinc/54/30/28/1129543028.db2.gz URCWKNIIOCNTCC-UHFFFAOYSA-N 0 3 283.350 3.601 20 30 CHEDHN N#CC(C(=O)CC1CCC1)c1ccc2ccccc2n1 ZINC000744015480 1129545640 /nfs/dbraw/zinc/54/56/40/1129545640.db2.gz SLKSIBOATYTBOR-CQSZACIVSA-N 0 3 264.328 3.601 20 30 CHEDHN N#CC(C(=O)CC1CCC1)c1ccc2ccccc2n1 ZINC000744015479 1129545676 /nfs/dbraw/zinc/54/56/76/1129545676.db2.gz SLKSIBOATYTBOR-AWEZNQCLSA-N 0 3 264.328 3.601 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccco1 ZINC000744016678 1129545711 /nfs/dbraw/zinc/54/57/11/1129545711.db2.gz RBWSVLIPARQKAN-GHMZBOCLSA-N 0 3 296.351 3.869 20 30 CHEDHN C=CCC[C@H](C)NCc1c(Cl)cncc1Cl ZINC001258720159 1129548468 /nfs/dbraw/zinc/54/84/68/1129548468.db2.gz SPWQBPPSZWFXRB-VIFPVBQESA-N 0 3 259.180 3.833 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC(C)(C)CC(C)(C)C1 ZINC001169005534 1129689003 /nfs/dbraw/zinc/68/90/03/1129689003.db2.gz UPMVCWRUHLYQFO-UHFFFAOYSA-N 0 3 286.419 3.825 20 30 CHEDHN Cc1nc2ccc(Nc3cccc(F)c3C#N)cc2[nH]1 ZINC001213073351 1129707580 /nfs/dbraw/zinc/70/75/80/1129707580.db2.gz NSKOENWHULAKFS-UHFFFAOYSA-N 0 3 266.279 3.626 20 30 CHEDHN C#C[C@H](C)N(C)Cc1ccc(-c2cccs2)cc1 ZINC001169843724 1129760208 /nfs/dbraw/zinc/76/02/08/1129760208.db2.gz IXCJWEOBYHCKBY-ZDUSSCGKSA-N 0 3 255.386 3.869 20 30 CHEDHN CCCCCCCCN1CCCN(CC(F)(F)F)CC1 ZINC000740878664 1129771581 /nfs/dbraw/zinc/77/15/81/1129771581.db2.gz ROIRXOWQMDVMMZ-UHFFFAOYSA-N 0 3 294.405 3.917 20 30 CHEDHN CC[C@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCCO1 ZINC000653875586 1129799181 /nfs/dbraw/zinc/79/91/81/1129799181.db2.gz WVKOCYCBVUKGRV-IRXDYDNUSA-N 0 3 291.822 3.629 20 30 CHEDHN Cc1[nH]cnc1C=NNc1c(Cl)cc(F)cc1Cl ZINC000767910505 1129821991 /nfs/dbraw/zinc/82/19/91/1129821991.db2.gz JDUUQLMDHVHFTD-UHFFFAOYSA-N 0 3 287.125 3.610 20 30 CHEDHN C#CCOc1ccc(CN(C)[C@@H](C)c2cccs2)cc1 ZINC000768418113 1129858391 /nfs/dbraw/zinc/85/83/91/1129858391.db2.gz UGZXAUHNQMQHFC-AWEZNQCLSA-N 0 3 285.412 3.953 20 30 CHEDHN C=CCCCN(C)Cn1nc(Cl)c2ccccc21 ZINC000769647356 1129920076 /nfs/dbraw/zinc/92/00/76/1129920076.db2.gz KQYQFSWVKNYJQU-UHFFFAOYSA-N 0 3 263.772 3.545 20 30 CHEDHN C=CC[N@@H+](CCc1ccccc1)Cc1ccccc1[O-] ZINC000770511081 1129948723 /nfs/dbraw/zinc/94/87/23/1129948723.db2.gz YYFIAIQBDLDRCJ-UHFFFAOYSA-N 0 3 267.372 3.623 20 30 CHEDHN C=CC[N@H+](CCc1ccccc1)Cc1ccccc1[O-] ZINC000770511081 1129948726 /nfs/dbraw/zinc/94/87/26/1129948726.db2.gz YYFIAIQBDLDRCJ-UHFFFAOYSA-N 0 3 267.372 3.623 20 30 CHEDHN CCc1ccc([C@H]2CCCCCN2CCO[C@H](C)C#N)o1 ZINC000801922909 1129958993 /nfs/dbraw/zinc/95/89/93/1129958993.db2.gz SNTQSYSQSJAQEN-GDBMZVCRSA-N 0 3 290.407 3.688 20 30 CHEDHN CCCCCCCC(=O)N(CCN(C)C)c1ccccc1 ZINC000746528129 1130005897 /nfs/dbraw/zinc/00/58/97/1130005897.db2.gz FLSGQOLJNFOZAV-UHFFFAOYSA-N 0 3 290.451 3.942 20 30 CHEDHN CNc1ccc(C)cc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000902529186 1130020723 /nfs/dbraw/zinc/02/07/23/1130020723.db2.gz BBBDNBGETIHIRY-LJQANCHMSA-N 0 3 291.398 3.686 20 30 CHEDHN Cc1ccc(SCCN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902727745 1130046112 /nfs/dbraw/zinc/04/61/12/1130046112.db2.gz BLRAUOARBFQTED-CQSZACIVSA-N 0 3 297.427 3.705 20 30 CHEDHN CC[C@H](NCc1cccc(OC)c1)c1cccc(C#N)c1 ZINC000902727022 1130046242 /nfs/dbraw/zinc/04/62/42/1130046242.db2.gz WPRXGQSYQSRNIU-SFHVURJKSA-N 0 3 280.371 3.808 20 30 CHEDHN CC[C@@H](NCc1cc(F)cc(OC)c1)c1cccc(C#N)c1 ZINC000902892371 1130080056 /nfs/dbraw/zinc/08/00/56/1130080056.db2.gz JQTHFAXIBONMFG-GOSISDBHSA-N 0 3 298.361 3.947 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cn(CCC)nn1 ZINC000903024675 1130101931 /nfs/dbraw/zinc/10/19/31/1130101931.db2.gz MZFBPTPMPRIXKF-DOTOQJQBSA-N 0 3 298.434 3.526 20 30 CHEDHN C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000787028188 1130125672 /nfs/dbraw/zinc/12/56/72/1130125672.db2.gz CAYAGENUPOTRDF-SJCJKPOMSA-N 0 3 278.355 3.602 20 30 CHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000787025376 1130126026 /nfs/dbraw/zinc/12/60/26/1130126026.db2.gz GGRPXYJDUAXLHN-MEDUHNTESA-N 0 3 297.789 3.945 20 30 CHEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cc(F)ccc1OC ZINC000903371439 1130168380 /nfs/dbraw/zinc/16/83/80/1130168380.db2.gz SMRZNWUFHVOKGC-XPKDYRNWSA-N 0 3 290.382 3.957 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccncc1)C1CC1)CC2 ZINC000903428164 1130175924 /nfs/dbraw/zinc/17/59/24/1130175924.db2.gz MWMZJBZERRGLCJ-MOPGFXCFSA-N 0 3 289.382 3.681 20 30 CHEDHN [O-]/N=C/c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC001240060667 1130206780 /nfs/dbraw/zinc/20/67/80/1130206780.db2.gz SQRKTYRFRUIAMZ-UDWIEESQSA-N 0 3 298.361 3.897 20 30 CHEDHN C#CCN(Cc1ccccc1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001170094514 1130223950 /nfs/dbraw/zinc/22/39/50/1130223950.db2.gz IFQUKEFNWMYSIB-RBUKOAKNSA-N 0 3 279.358 3.817 20 30 CHEDHN CC1=C[C@H](C)C[C@@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000789639182 1130268005 /nfs/dbraw/zinc/26/80/05/1130268005.db2.gz ITXBEBQROJFKRQ-DZGCQCFKSA-N 0 3 280.375 3.771 20 30 CHEDHN C=CCN(Cc1nc2ccccn2c1C)C1CCCCC1 ZINC001137275648 1130279134 /nfs/dbraw/zinc/27/91/34/1130279134.db2.gz GGHKEQWSCZPKOY-UHFFFAOYSA-N 0 3 283.419 3.963 20 30 CHEDHN Cc1ccc(C#N)nc1C1=CCCN(Cc2ccccc2)C1 ZINC001240384708 1130285262 /nfs/dbraw/zinc/28/52/62/1130285262.db2.gz PTKDEVLEIJJILE-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN [O-]N=Cc1ccccc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240388439 1130287303 /nfs/dbraw/zinc/28/73/03/1130287303.db2.gz DNWBDDHESKVJGY-UHFFFAOYSA-N 0 3 292.382 3.784 20 30 CHEDHN [O-]N=Cc1ccccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240388439 1130287305 /nfs/dbraw/zinc/28/73/05/1130287305.db2.gz DNWBDDHESKVJGY-UHFFFAOYSA-N 0 3 292.382 3.784 20 30 CHEDHN CCCCCCC[C@H](C)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000826888772 1130307312 /nfs/dbraw/zinc/30/73/12/1130307312.db2.gz KQLKUPTXNVJLKM-MJBXVCDLSA-N 0 3 264.417 3.623 20 30 CHEDHN CN(Cc1c[nH]c2ccc(F)cc12)Cc1ccc(C#N)cc1 ZINC001137339789 1130427522 /nfs/dbraw/zinc/42/75/22/1130427522.db2.gz DOZFYFFXRXONAO-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN N#CC(C(=O)C=Cc1ccco1)c1nccc2ccccc21 ZINC000792098888 1130431898 /nfs/dbraw/zinc/43/18/98/1130431898.db2.gz FONINPIOPRDPQI-PTZVLDCSSA-N 0 3 288.306 3.717 20 30 CHEDHN C=C(CC)CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000678623965 1130443918 /nfs/dbraw/zinc/44/39/18/1130443918.db2.gz PTMODPPNHLINOH-UHFFFAOYSA-N 0 3 297.402 3.882 20 30 CHEDHN CCC#C[C@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000678743052 1130448492 /nfs/dbraw/zinc/44/84/92/1130448492.db2.gz SAUNZTAOEVYAPW-NWDGAFQWSA-N 0 3 267.319 3.741 20 30 CHEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(SCCOC)cc1 ZINC000678765269 1130450369 /nfs/dbraw/zinc/45/03/69/1130450369.db2.gz IQQOTZGYGDNJQR-LSDHHAIUSA-N 0 3 291.460 3.878 20 30 CHEDHN C=C(C)CN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000678784107 1130455301 /nfs/dbraw/zinc/45/53/01/1130455301.db2.gz VHPRKMJCBNDBIC-ZDUSSCGKSA-N 0 3 273.298 3.559 20 30 CHEDHN C=CCOCCN[C@@H]1CCSc2c(Cl)cccc21 ZINC000679576140 1130540607 /nfs/dbraw/zinc/54/06/07/1130540607.db2.gz INJRZCBJRIOOPX-CYBMUJFWSA-N 0 3 283.824 3.669 20 30 CHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3C(C)(C)C3(C)C)nc21 ZINC000747125331 1130560188 /nfs/dbraw/zinc/56/01/88/1130560188.db2.gz UGDLNQSPUIFPQD-LLVKDONJSA-N 0 3 295.386 3.730 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1nncn1-c1ccccc1 ZINC000793523498 1130563096 /nfs/dbraw/zinc/56/30/96/1130563096.db2.gz IMQNZLIFOVRWIR-MRXNPFEDSA-N 0 3 298.434 3.882 20 30 CHEDHN C=CCCCCC[C@@H](C)NCc1ncccc1F ZINC000793547565 1130568450 /nfs/dbraw/zinc/56/84/50/1130568450.db2.gz JTKJISKGFVTAEA-CYBMUJFWSA-N 0 3 250.361 3.835 20 30 CHEDHN CCCCCCCCCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000781183038 1130708329 /nfs/dbraw/zinc/70/83/29/1130708329.db2.gz GFDQIMFWQVSWTL-INIZCTEOSA-N 0 3 294.483 3.894 20 30 CHEDHN N#CCC1(N[C@H]2CCc3cc(F)cc(F)c3C2)CCCC1 ZINC001170685596 1130712173 /nfs/dbraw/zinc/71/21/73/1130712173.db2.gz POZUQYSUJUPEKC-AWEZNQCLSA-N 0 3 290.357 3.638 20 30 CHEDHN C#C[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1ccc(F)cc1 ZINC000812794262 1130716688 /nfs/dbraw/zinc/71/66/88/1130716688.db2.gz XGALHMKCSBPPDN-IKGGRYGDSA-N 0 3 257.352 3.668 20 30 CHEDHN N#CCc1ccccc1CN1CCCC[C@H]1c1cccnc1 ZINC001235523274 1130750020 /nfs/dbraw/zinc/75/00/20/1130750020.db2.gz PRSRLVGCWICKGU-IBGZPJMESA-N 0 3 291.398 3.875 20 30 CHEDHN C=CCCCCN(C)Cc1cnc(OC)c(Cl)c1 ZINC001235705391 1130772042 /nfs/dbraw/zinc/77/20/42/1130772042.db2.gz JWEKVQKQMQLBPO-UHFFFAOYSA-N 0 3 268.788 3.532 20 30 CHEDHN C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1[O-] ZINC000783516278 1130832334 /nfs/dbraw/zinc/83/23/34/1130832334.db2.gz GJYFKLDQFAWNRL-QWHCGFSZSA-N 0 3 266.344 3.676 20 30 CHEDHN C=CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccncc1 ZINC000783512384 1130832814 /nfs/dbraw/zinc/83/28/14/1130832814.db2.gz BMVVEPVNSAZSGV-CZUORRHYSA-N 0 3 268.360 3.755 20 30 CHEDHN CC(C)[C@@H](NCc1ccc(CC#N)cc1)c1ccccn1 ZINC000784265138 1130894282 /nfs/dbraw/zinc/89/42/82/1130894282.db2.gz DDUBUCHAUKKLKK-GOSISDBHSA-N 0 3 279.387 3.635 20 30 CHEDHN Cc1cc(CNCc2ccc(C#N)cc2)cc2cccnc12 ZINC000784501992 1130907940 /nfs/dbraw/zinc/90/79/40/1130907940.db2.gz QYBUEVLTXGKPDZ-UHFFFAOYSA-N 0 3 287.366 3.705 20 30 CHEDHN CN(C1CCCC1)C(C)(C)C(=O)OCCCC(C)(C)C#N ZINC000784543419 1130910028 /nfs/dbraw/zinc/91/00/28/1130910028.db2.gz CMSMVLGQIHOWSJ-UHFFFAOYSA-N 0 3 294.439 3.513 20 30 CHEDHN CC(=NNc1cc(F)cc(F)c1)c1cc(F)c(N)c(F)c1 ZINC000814813579 1130915648 /nfs/dbraw/zinc/91/56/48/1130915648.db2.gz UBWXPDDRLUOQTP-UHFFFAOYSA-N 0 3 297.255 3.661 20 30 CHEDHN Cc1cccc(CNN=C2CC[C@H]3CNc4cccc2c43)c1 ZINC000814873048 1130927927 /nfs/dbraw/zinc/92/79/27/1130927927.db2.gz KGBPRANPNNWQRO-HNNXBMFYSA-N 0 3 291.398 3.792 20 30 CHEDHN C=CC[NH+](CC=C)Cc1cc2ccccc2cc1[O-] ZINC001236834246 1131019444 /nfs/dbraw/zinc/01/94/44/1131019444.db2.gz VCUBXIPJJWDNIA-UHFFFAOYSA-N 0 3 253.345 3.719 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)C(C)(F)F ZINC000815899722 1131032043 /nfs/dbraw/zinc/03/20/43/1131032043.db2.gz ZXWRIHCIKRSHLE-DTWKUNHWSA-N 0 3 294.326 3.764 20 30 CHEDHN C#CC1CCN(Cc2ccccc2OC(C)(C)C)CC1 ZINC001237028973 1131038060 /nfs/dbraw/zinc/03/80/60/1131038060.db2.gz OOPGFWWIUPUUPD-UHFFFAOYSA-N 0 3 271.404 3.709 20 30 CHEDHN O=C1C=C2CN(Cc3ccc(C4CCC4)cc3)CCC2S1 ZINC001237109425 1131052330 /nfs/dbraw/zinc/05/23/30/1131052330.db2.gz RHQLTTFCULEQCZ-KRWDZBQOSA-N 0 3 299.439 3.728 20 30 CHEDHN O=C1C=C2CN(Cc3ccc(C4CCC4)cc3)CC[C@@H]2S1 ZINC001237109425 1131052332 /nfs/dbraw/zinc/05/23/32/1131052332.db2.gz RHQLTTFCULEQCZ-KRWDZBQOSA-N 0 3 299.439 3.728 20 30 CHEDHN N#CC1CCN(Cc2ccc3cccccc2-3)CC1 ZINC001237183499 1131065000 /nfs/dbraw/zinc/06/50/00/1131065000.db2.gz AZQIBBBPFAATTB-UHFFFAOYSA-N 0 3 250.345 3.527 20 30 CHEDHN N#CC1CCN(Cc2cccc3c(F)cccc23)CC1 ZINC001237520770 1131109471 /nfs/dbraw/zinc/10/94/71/1131109471.db2.gz GSQKNVCJSCQYCR-UHFFFAOYSA-N 0 3 268.335 3.714 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001237749202 1131137934 /nfs/dbraw/zinc/13/79/34/1131137934.db2.gz QOMITUPHWBXXPF-HUUCEWRRSA-N 0 3 274.795 3.834 20 30 CHEDHN C[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@H]1C ZINC001237757179 1131139127 /nfs/dbraw/zinc/13/91/27/1131139127.db2.gz NYTYOGUEHTWGMF-NEPJUHHUSA-N 0 3 262.784 3.832 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]3C2)c(Cl)c1 ZINC001238082830 1131168676 /nfs/dbraw/zinc/16/86/76/1131168676.db2.gz NWFRWBJFVOTTMB-KBPBESRZSA-N 0 3 274.795 3.834 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001116912135 1131169501 /nfs/dbraw/zinc/16/95/01/1131169501.db2.gz ZWIFCJYZIYUTBA-UMNHJUIQSA-N 0 3 298.308 3.770 20 30 CHEDHN N#CCOc1cccc(CNCc2ccc3occc3c2)c1 ZINC001117110396 1131172260 /nfs/dbraw/zinc/17/22/60/1131172260.db2.gz KDQNGYZJYZACOH-UHFFFAOYSA-N 0 3 292.338 3.625 20 30 CHEDHN C[C@@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238189872 1131177385 /nfs/dbraw/zinc/17/73/85/1131177385.db2.gz YFSKTNKUAGMMEI-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN N#CC1(CN[C@H]2CCc3c(Cl)cccc3C2)CCCC1 ZINC001171013395 1131420956 /nfs/dbraw/zinc/42/09/56/1131420956.db2.gz OBUCLXBBERWPRN-AWEZNQCLSA-N 0 3 288.822 3.871 20 30 CHEDHN CC1(C#N)CCN([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171051437 1131460687 /nfs/dbraw/zinc/46/06/87/1131460687.db2.gz VVPVWUXCCOTRNL-CQSZACIVSA-N 0 3 288.822 3.823 20 30 CHEDHN Cc1nc2ccc(N[C@@H]3CCc4c3cccc4C#N)cc2[nH]1 ZINC001171065072 1131483193 /nfs/dbraw/zinc/48/31/93/1131483193.db2.gz SPZHSJKABRGYGD-MRXNPFEDSA-N 0 3 288.354 3.842 20 30 CHEDHN Cc1ccc2[nH]c(CN3CCC[C@H](C#N)CC3)cc2c1 ZINC001138420066 1131502965 /nfs/dbraw/zinc/50/29/65/1131502965.db2.gz MLDYXCBIYSFEHR-AWEZNQCLSA-N 0 3 267.376 3.602 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCCC(F)(F)CC2)c1[O-] ZINC001138625247 1131528119 /nfs/dbraw/zinc/52/81/19/1131528119.db2.gz IMXXTGGKWXNFAE-UHFFFAOYSA-N 0 3 281.346 3.742 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCCC(F)(F)CC2)c1[O-] ZINC001138625247 1131528122 /nfs/dbraw/zinc/52/81/22/1131528122.db2.gz IMXXTGGKWXNFAE-UHFFFAOYSA-N 0 3 281.346 3.742 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2)c1[O-] ZINC001138629290 1131529406 /nfs/dbraw/zinc/52/94/06/1131529406.db2.gz TZMADZYRQMKRTO-UHFFFAOYSA-N 0 3 292.382 3.624 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1[O-] ZINC001138629290 1131529410 /nfs/dbraw/zinc/52/94/10/1131529410.db2.gz TZMADZYRQMKRTO-UHFFFAOYSA-N 0 3 292.382 3.624 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1[O-] ZINC001138628695 1131530195 /nfs/dbraw/zinc/53/01/95/1131530195.db2.gz CEIYLEJKSOAECD-SFHVURJKSA-N 0 3 294.398 3.853 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1[O-] ZINC001138628695 1131530197 /nfs/dbraw/zinc/53/01/97/1131530197.db2.gz CEIYLEJKSOAECD-SFHVURJKSA-N 0 3 294.398 3.853 20 30 CHEDHN CCCCCCCN(C)Cc1c(C)nn(CC)c1C ZINC001138643931 1131531848 /nfs/dbraw/zinc/53/18/48/1131531848.db2.gz GIJAVIZNTHDEFJ-UHFFFAOYSA-N 0 3 265.445 3.922 20 30 CHEDHN SC1CCN(Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138688344 1131537061 /nfs/dbraw/zinc/53/70/61/1131537061.db2.gz ZWTLIDDCVJXEFI-UHFFFAOYSA-N 0 3 280.824 3.716 20 30 CHEDHN CCCCCCCCN(C)Cc1cnc(SC)nc1 ZINC001138705495 1131539300 /nfs/dbraw/zinc/53/93/00/1131539300.db2.gz SCUWVACGQSNYHZ-UHFFFAOYSA-N 0 3 281.469 3.991 20 30 CHEDHN Cc1cccc(Cl)c1CN1CCC(S)CC1 ZINC001138719935 1131541278 /nfs/dbraw/zinc/54/12/78/1131541278.db2.gz JMXCAARQTCNPPL-UHFFFAOYSA-N 0 3 255.814 3.543 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(F)c(OCC)c(F)c1 ZINC001144030649 1131570349 /nfs/dbraw/zinc/57/03/49/1131570349.db2.gz IHDKMYHTFWWKET-UHFFFAOYSA-N 0 3 269.335 3.762 20 30 CHEDHN C=CCOc1ccccc1CN1CCC[C@H](C(F)F)C1 ZINC001139029551 1131574480 /nfs/dbraw/zinc/57/44/80/1131574480.db2.gz DEOWOLVRRILIAS-AWEZNQCLSA-N 0 3 281.346 3.729 20 30 CHEDHN C=CCCN(Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC001139098845 1131582502 /nfs/dbraw/zinc/58/25/02/1131582502.db2.gz DDIMMJKSSAASEN-UHFFFAOYSA-N 0 3 269.392 3.605 20 30 CHEDHN C=CCN(Cc1cnc(Cl)c(C)c1)C(C)(C)C ZINC001139547370 1131615149 /nfs/dbraw/zinc/61/51/49/1131615149.db2.gz GRJGDRKUVJZXLA-UHFFFAOYSA-N 0 3 252.789 3.830 20 30 CHEDHN COc1ccc(CN2CCC[C@H](C#N)CC2)cc1C(C)C ZINC001139621445 1131623484 /nfs/dbraw/zinc/62/34/84/1131623484.db2.gz MKNMREMLJNEIEA-HNNXBMFYSA-N 0 3 286.419 3.944 20 30 CHEDHN N#Cc1ccc(F)c(CN2CCCC3(CC(F)C3)CC2)c1 ZINC001139649641 1131626838 /nfs/dbraw/zinc/62/68/38/1131626838.db2.gz VLRCGALOMGVRSB-UHFFFAOYSA-N 0 3 290.357 3.802 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1c(F)cccc1F ZINC001171174623 1131627864 /nfs/dbraw/zinc/62/78/64/1131627864.db2.gz BAVLXKPRSFIMPM-GFCCVEGCSA-N 0 3 286.325 3.557 20 30 CHEDHN N#Cc1cc(F)cc(CN2CCCC3(CCCC3)C2)c1 ZINC001139873617 1131643900 /nfs/dbraw/zinc/64/39/00/1131643900.db2.gz YGKGWWLURZCPFU-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H]4CCC[C@H]4C3)c2c1 ZINC001140110941 1131665848 /nfs/dbraw/zinc/66/58/48/1131665848.db2.gz VJYOHXFYRZJZBC-GJZGRUSLSA-N 0 3 279.387 3.662 20 30 CHEDHN CCCCCCC[C@H](C)CN[C@@H]1CCn2ccnc21 ZINC000834527194 1131681790 /nfs/dbraw/zinc/68/17/90/1131681790.db2.gz XUJIKJWKHDUCSS-LSDHHAIUSA-N 0 3 263.429 3.914 20 30 CHEDHN CCCCCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000834701528 1131695370 /nfs/dbraw/zinc/69/53/70/1131695370.db2.gz DUKVWGSIVDMBLY-INIZCTEOSA-N 0 3 290.386 3.593 20 30 CHEDHN C#Cc1cccc(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])c1 ZINC000834902554 1131724996 /nfs/dbraw/zinc/72/49/96/1131724996.db2.gz JJDUALBVPFBDMQ-SFHVURJKSA-N 0 3 279.383 3.923 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCCc3nc(C)sc32)c1 ZINC000834902442 1131725461 /nfs/dbraw/zinc/72/54/61/1131725461.db2.gz IBDPPRVKYCEPHS-OAHLLOKOSA-N 0 3 282.412 3.600 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000834902761 1131725573 /nfs/dbraw/zinc/72/55/73/1131725573.db2.gz LAKAQDWDTLSEOT-SFHVURJKSA-N 0 3 277.367 3.671 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000834903828 1131726990 /nfs/dbraw/zinc/72/69/90/1131726990.db2.gz TZWIHRQMWYMGKI-CQSZACIVSA-N 0 3 296.389 3.724 20 30 CHEDHN C#C[C@H]1CCCN(Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140446903 1131739824 /nfs/dbraw/zinc/73/98/24/1131739824.db2.gz PMGMQKFVYIOHIP-LBPRGKRZSA-N 0 3 272.779 3.667 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccccc2Oc2cccnc2)C1 ZINC000847026421 1131772641 /nfs/dbraw/zinc/77/26/41/1131772641.db2.gz PJDYUUXMNQIILM-INIZCTEOSA-N 0 3 292.382 3.719 20 30 CHEDHN CN(Cc1cc(C#N)ccc1Cl)C[C@@H]1CC1(C)C ZINC001140602166 1131823401 /nfs/dbraw/zinc/82/34/01/1131823401.db2.gz FPORYVJKFFHQTE-ZDUSSCGKSA-N 0 3 262.784 3.690 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC001140602803 1131823534 /nfs/dbraw/zinc/82/35/34/1131823534.db2.gz PVUTUBZJOQMQFU-CJNGLKHVSA-N 0 3 274.795 3.976 20 30 CHEDHN C#C[C@H](Oc1ccc2ccccc2c1CN(C)C)C(C)C ZINC001228441577 1131884570 /nfs/dbraw/zinc/88/45/70/1131884570.db2.gz MHXROWOVEDHJFF-SFHVURJKSA-N 0 3 281.399 3.938 20 30 CHEDHN CC1(C)C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccc(F)cc2O1 ZINC000348186108 1131903025 /nfs/dbraw/zinc/90/30/25/1131903025.db2.gz LVBYCEMMUBUTEU-LNSITVRQSA-N 0 3 288.366 3.710 20 30 CHEDHN N#CCC1(N[C@H]2CCc3c(F)cc(F)cc3C2)CCCC1 ZINC001171361533 1131912443 /nfs/dbraw/zinc/91/24/43/1131912443.db2.gz YZAOYGFVRSXAIW-AWEZNQCLSA-N 0 3 290.357 3.638 20 30 CHEDHN C=C(Cl)CN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000773005049 1131915729 /nfs/dbraw/zinc/91/57/29/1131915729.db2.gz NNXGWMRDTCXGOR-NEPJUHHUSA-N 0 3 253.773 3.529 20 30 CHEDHN Cc1cc(CNCc2ccc3occc3c2)ccc1C#N ZINC001203067710 1131923860 /nfs/dbraw/zinc/92/38/60/1131923860.db2.gz KDUXFRUYMFQMJR-UHFFFAOYSA-N 0 3 276.339 3.903 20 30 CHEDHN C[C@H]1CC[C@H](N(C)Cc2ccc(F)cc2C#N)CC1 ZINC001141168583 1132034727 /nfs/dbraw/zinc/03/47/27/1132034727.db2.gz PZJBIIKHEMTPLN-YGUOUDRMSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCN(CC=C)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542651 1132046479 /nfs/dbraw/zinc/04/64/79/1132046479.db2.gz VSBANRBBVBDLEP-GFCCVEGCSA-N 0 3 281.321 3.635 20 30 CHEDHN CCCCCCCN(C)Cc1cnc(C(F)(F)F)nc1 ZINC001141460188 1132134036 /nfs/dbraw/zinc/13/40/36/1132134036.db2.gz MACYJQAELKMFHR-UHFFFAOYSA-N 0 3 289.345 3.898 20 30 CHEDHN C=CC[C@H](NCc1ccc(O)c(OCC)c1)c1ccncc1 ZINC000838958388 1132161189 /nfs/dbraw/zinc/16/11/89/1132161189.db2.gz KPKGEMKIJKBBPZ-INIZCTEOSA-N 0 3 298.386 3.593 20 30 CHEDHN C[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1ccccc1[O-] ZINC001172296347 1132165797 /nfs/dbraw/zinc/16/57/97/1132165797.db2.gz HHOYNFNXGAGIKA-UONOGXRCSA-N 0 3 280.371 3.546 20 30 CHEDHN C[C@H](C#N)OCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839127809 1132182786 /nfs/dbraw/zinc/18/27/86/1132182786.db2.gz YMGLXGKMZQHMNK-WBVHZDCISA-N 0 3 284.403 3.532 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CC3(C2)CCCCC3)cc1 ZINC000839132823 1132183073 /nfs/dbraw/zinc/18/30/73/1132183073.db2.gz RQPAQLGUCHWSRK-OAHLLOKOSA-N 0 3 284.403 3.744 20 30 CHEDHN CCCCCCC[C@H](CC)N1CC[C@@H](O)[C@H](F)C1 ZINC001172357658 1132185692 /nfs/dbraw/zinc/18/56/92/1132185692.db2.gz LLWCFBNVINVYSB-RRFJBIMHSA-N 0 3 259.409 3.530 20 30 CHEDHN CCCCCCC[C@@H](CC)N1CC(N2CC[C@H](F)C2)C1 ZINC001172355927 1132185785 /nfs/dbraw/zinc/18/57/85/1132185785.db2.gz SFKDUOMLUGPJHP-JKSUJKDBSA-N 0 3 284.463 3.854 20 30 CHEDHN N#CCCOCCN1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000839185190 1132188637 /nfs/dbraw/zinc/18/86/37/1132188637.db2.gz WRVZMQDTSVZKRC-GOSISDBHSA-N 0 3 298.430 3.924 20 30 CHEDHN Cc1ccccc1OCCNC1(c2cccc(C#N)c2)CC1 ZINC000839544939 1132223167 /nfs/dbraw/zinc/22/31/67/1132223167.db2.gz QXZKBSZOVDMVOT-UHFFFAOYSA-N 0 3 292.382 3.524 20 30 CHEDHN C[C@H](CCCC#N)N[C@@H](c1ccccc1)c1ccccn1 ZINC001172482424 1132229087 /nfs/dbraw/zinc/22/90/87/1132229087.db2.gz GONQGGILBSYWQA-QAPCUYQASA-N 0 3 279.387 3.843 20 30 CHEDHN C[C@H](CCCC#N)N(C)Cc1ncccc1C(F)(F)F ZINC001172493971 1132247865 /nfs/dbraw/zinc/24/78/65/1132247865.db2.gz PRXKEJKSXBVMDC-LLVKDONJSA-N 0 3 285.313 3.615 20 30 CHEDHN CCCCCCCC[C@H](CC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001172505239 1132253946 /nfs/dbraw/zinc/25/39/46/1132253946.db2.gz KXZDIEZVJSVMJV-CVEARBPZSA-N 0 3 295.471 3.617 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC001172538852 1132276427 /nfs/dbraw/zinc/27/64/27/1132276427.db2.gz UXQFKJBCGORXQJ-SJORKVTESA-N 0 3 268.404 3.996 20 30 CHEDHN CCCCCCCCN[C@H](C)c1cc2n(n1)CCC2 ZINC000840725929 1132278811 /nfs/dbraw/zinc/27/88/11/1132278811.db2.gz QSFXGBFETKJOOP-CQSZACIVSA-N 0 3 263.429 3.840 20 30 CHEDHN CN(Cc1ccc(C#Cc2ccccc2)s1)C1CC1 ZINC001141972687 1132279671 /nfs/dbraw/zinc/27/96/71/1132279671.db2.gz PSBXDCYFQZTEPS-UHFFFAOYSA-N 0 3 267.397 3.742 20 30 CHEDHN C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)c2c1c(F)ccc2[O-] ZINC000840787121 1132288162 /nfs/dbraw/zinc/28/81/62/1132288162.db2.gz IFRRZLOGVFRCRB-PWSUYJOCSA-N 0 3 276.355 3.609 20 30 CHEDHN CCCCN(CCC#N)[C@H]1CCc2ccc(C)cc2C1 ZINC001172830160 1132324947 /nfs/dbraw/zinc/32/49/47/1132324947.db2.gz GEHJSVXESVTHIF-SFHVURJKSA-N 0 3 270.420 3.868 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(F)cc1OC ZINC001231606302 1132326590 /nfs/dbraw/zinc/32/65/90/1132326590.db2.gz NMJVLAAJWKSNLZ-UHFFFAOYSA-N 0 3 251.345 3.622 20 30 CHEDHN C#Cc1cccc(CN2CCc3cc(C)ccc3C2)c1 ZINC001231663529 1132340615 /nfs/dbraw/zinc/34/06/15/1132340615.db2.gz NMGWUCUNRDJQGQ-UHFFFAOYSA-N 0 3 261.368 3.535 20 30 CHEDHN C[C@H](Cc1ccc(F)cc1Cl)NCc1ccc(C#N)o1 ZINC001172858282 1132344230 /nfs/dbraw/zinc/34/42/30/1132344230.db2.gz LIDCESJLVCWEHY-SNVBAGLBSA-N 0 3 292.741 3.665 20 30 CHEDHN CC(C)(C)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC001231804777 1132365470 /nfs/dbraw/zinc/36/54/70/1132365470.db2.gz HPPQNHQNZLJDOY-HNNXBMFYSA-N 0 3 286.419 3.990 20 30 CHEDHN CC(C)(C)Oc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001231805749 1132369334 /nfs/dbraw/zinc/36/93/34/1132369334.db2.gz RZKLYHRVZUBURG-HNNXBMFYSA-N 0 3 286.419 3.990 20 30 CHEDHN CCCCCCCN(CC)Cc1cc(OC)ccn1 ZINC001231967797 1132403383 /nfs/dbraw/zinc/40/33/83/1132403383.db2.gz KZYXYPAGSFYFKK-UHFFFAOYSA-N 0 3 264.413 3.883 20 30 CHEDHN CCCCCCCCN(C)Cc1cncc(O)c1 ZINC001232042613 1132413936 /nfs/dbraw/zinc/41/39/36/1132413936.db2.gz JYRGEZJRHMTCDF-UHFFFAOYSA-N 0 3 250.386 3.580 20 30 CHEDHN CCCCCCCC[N@H+](C)Cc1cncc([O-])c1 ZINC001232042613 1132413941 /nfs/dbraw/zinc/41/39/41/1132413941.db2.gz JYRGEZJRHMTCDF-UHFFFAOYSA-N 0 3 250.386 3.580 20 30 CHEDHN CCCCCCCC[N@@H+](C)Cc1cncc([O-])c1 ZINC001232042613 1132413944 /nfs/dbraw/zinc/41/39/44/1132413944.db2.gz JYRGEZJRHMTCDF-UHFFFAOYSA-N 0 3 250.386 3.580 20 30 CHEDHN CCN(CCC#N)C1CCC(Oc2ccccc2)CC1 ZINC001173204885 1132415104 /nfs/dbraw/zinc/41/51/04/1132415104.db2.gz YBXLHAMFEFRIDD-UHFFFAOYSA-N 0 3 272.392 3.612 20 30 CHEDHN C=CCCCCN(C)Cc1ncc(Br)cc1C ZINC001232050987 1132415673 /nfs/dbraw/zinc/41/56/73/1132415673.db2.gz VELCWOVAEVLBOV-UHFFFAOYSA-N 0 3 297.240 3.941 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001232112718 1132423860 /nfs/dbraw/zinc/42/38/60/1132423860.db2.gz JIOUOUOCHNTSNY-HIFRSBDPSA-N 0 3 274.795 3.834 20 30 CHEDHN C[C@@]1(F)CCCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232111684 1132424274 /nfs/dbraw/zinc/42/42/74/1132424274.db2.gz JKOBBPNZCJZWDS-OAHLLOKOSA-N 0 3 280.774 3.926 20 30 CHEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117041 1132425442 /nfs/dbraw/zinc/42/54/42/1132425442.db2.gz UDJXEUOOJNDENA-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCOC1CCC(N[C@H](C)c2csc(C)n2)CC1 ZINC001173312896 1132452129 /nfs/dbraw/zinc/45/21/29/1132452129.db2.gz MTFGIIVQVLZDBD-LMWSTFAQSA-N 0 3 280.437 3.616 20 30 CHEDHN C=CCN(Cc1cn2cc(F)ccc2n1)C1CCCCC1 ZINC001232414491 1132466946 /nfs/dbraw/zinc/46/69/46/1132466946.db2.gz CERGNEBMZNRQSU-UHFFFAOYSA-N 0 3 287.382 3.794 20 30 CHEDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)c([O-])c1 ZINC000842883082 1132473412 /nfs/dbraw/zinc/47/34/12/1132473412.db2.gz ANASZUXUHLYLNU-CQSZACIVSA-N 0 3 280.371 3.618 20 30 CHEDHN N#Cc1ccnc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001232479575 1132475255 /nfs/dbraw/zinc/47/52/55/1132475255.db2.gz SYTDVKGKYGVXBF-OAHLLOKOSA-N 0 3 297.789 3.596 20 30 CHEDHN CN(Cc1c[nH]c2cc(C#N)ccc12)Cc1cccc(F)c1 ZINC001142911800 1132475843 /nfs/dbraw/zinc/47/58/43/1132475843.db2.gz KFZZTTCGYIOYLU-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN N#Cc1ccc2c(CN3CCC[C@H]4CCC[C@H]43)c[nH]c2c1 ZINC001142922769 1132479619 /nfs/dbraw/zinc/47/96/19/1132479619.db2.gz URQYTKZIMFKQES-RDTXWAMCSA-N 0 3 279.387 3.804 20 30 CHEDHN COc1cc(F)c(CNC2CCC(C)(C#N)CC2)c(F)c1 ZINC001173585994 1132495197 /nfs/dbraw/zinc/49/51/97/1132495197.db2.gz BZVWWRABMBXXJC-UHFFFAOYSA-N 0 3 294.345 3.535 20 30 CHEDHN CC1(C#N)CCC(NCC(=O)c2ccc(Cl)cc2)CC1 ZINC001173585067 1132495965 /nfs/dbraw/zinc/49/59/65/1132495965.db2.gz YVMSHPGXYSDDJF-UHFFFAOYSA-N 0 3 290.794 3.585 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC000843423611 1132532969 /nfs/dbraw/zinc/53/29/69/1132532969.db2.gz PEAWPCQXTBHMNQ-NSHDSACASA-N 0 3 253.798 3.637 20 30 CHEDHN C[C@H]1CCC[C@H](C)N1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096961 1132572735 /nfs/dbraw/zinc/57/27/35/1132572735.db2.gz OSWMOCMQBCMKNJ-STQMWFEESA-N 0 3 289.398 3.526 20 30 CHEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)c(F)c1F ZINC001173932218 1132645709 /nfs/dbraw/zinc/64/57/09/1132645709.db2.gz PUBKDTQKCOOLRA-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN Cc1cnccc1Nc1cc(Cl)c(Cl)cc1C#N ZINC001174538620 1132896841 /nfs/dbraw/zinc/89/68/41/1132896841.db2.gz NBOFASJAEUKZHZ-UHFFFAOYSA-N 0 3 278.142 3.734 20 30 CHEDHN Cc1nc2ccc(N[C@@H](C#N)c3ccccc3)cc2[nH]1 ZINC001161717436 1133019623 /nfs/dbraw/zinc/01/96/23/1133019623.db2.gz CBPQAIQTROWGKB-INIZCTEOSA-N 0 3 262.316 3.548 20 30 CHEDHN Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC001203301113 1133312282 /nfs/dbraw/zinc/31/22/82/1133312282.db2.gz CNAFYCYFKZOOFB-UHFFFAOYSA-N 0 3 280.371 3.839 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001204164772 1133413230 /nfs/dbraw/zinc/41/32/30/1133413230.db2.gz XHHGSTLTRHSXDK-GFCCVEGCSA-N 0 3 282.309 3.831 20 30 CHEDHN N#Cc1ccccc1CN1CCCC2(CC(F)C2)CC1 ZINC001204372553 1133440889 /nfs/dbraw/zinc/44/08/89/1133440889.db2.gz GPNNKWAADZYKDX-UHFFFAOYSA-N 0 3 272.367 3.662 20 30 CHEDHN CN(C/C=C/c1cccc(F)c1)Cc1cccc(C#N)c1 ZINC001205077791 1133524862 /nfs/dbraw/zinc/52/48/62/1133524862.db2.gz SVASORIGNYHNBP-XBXARRHUSA-N 0 3 280.346 3.843 20 30 CHEDHN N#C[C@H]1CCCN(CCc2cccc(Cl)c2)CC1 ZINC001207422693 1133799257 /nfs/dbraw/zinc/79/92/57/1133799257.db2.gz KMBMMYBHTVQHKA-AWEZNQCLSA-N 0 3 262.784 3.508 20 30 CHEDHN C=CCN(CC=C)CCc1cccc(Br)c1 ZINC001207509613 1133811438 /nfs/dbraw/zinc/81/14/38/1133811438.db2.gz LXXWPZVHCMRBCA-UHFFFAOYSA-N 0 3 280.209 3.666 20 30 CHEDHN COc1ccc(CCCN(CCC#N)C2CCCC2)cc1 ZINC001207579191 1133820361 /nfs/dbraw/zinc/82/03/61/1133820361.db2.gz APLGODOBTQWHEK-UHFFFAOYSA-N 0 3 286.419 3.786 20 30 CHEDHN CCCCCCC/C=C/CN1CCC[C@@H](n2ccnn2)C1 ZINC001208124358 1133880918 /nfs/dbraw/zinc/88/09/18/1133880918.db2.gz MRFQJTFVKONUDT-KBOKABMXSA-N 0 3 290.455 3.832 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN2CCC3SC(=O)C=C3C2)CC1 ZINC001208171491 1133897104 /nfs/dbraw/zinc/89/71/04/1133897104.db2.gz UXZRRLIFVMMELD-ZBFHGGJFSA-N 0 3 289.444 3.563 20 30 CHEDHN N#Cc1ccc2c(c1)CN(CCCc1ccc(F)cc1)CC2 ZINC001208764697 1133941674 /nfs/dbraw/zinc/94/16/74/1133941674.db2.gz CTRRQFRWILPSOZ-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN COc1ccccc1CCCN(CCC#N)C1CCCC1 ZINC001208839755 1133950756 /nfs/dbraw/zinc/95/07/56/1133950756.db2.gz YQFHCYJQSIVUJA-UHFFFAOYSA-N 0 3 286.419 3.786 20 30 CHEDHN N#Cc1cccc(CCCN2CCOC3(CCCCC3)C2)c1 ZINC001208851153 1133952089 /nfs/dbraw/zinc/95/20/89/1133952089.db2.gz RWXIWTNCHJYIIW-UHFFFAOYSA-N 0 3 298.430 3.526 20 30 CHEDHN CN(CCCc1cccc(C#N)c1)Cc1ccccc1F ZINC001208853696 1133953366 /nfs/dbraw/zinc/95/33/66/1133953366.db2.gz SDPIHGDIYNAIJY-UHFFFAOYSA-N 0 3 282.362 3.762 20 30 CHEDHN C=CCCCCCN1CCN(c2ccc(Cl)cn2)CC1 ZINC001209428272 1134017387 /nfs/dbraw/zinc/01/73/87/1134017387.db2.gz DHFMZVYCSGVLOA-UHFFFAOYSA-N 0 3 293.842 3.603 20 30 CHEDHN C=C(CN1CCCCC1)c1nc(-c2ccccc2C)no1 ZINC001211436789 1134416551 /nfs/dbraw/zinc/41/65/51/1134416551.db2.gz XHVIAFVGEYUPRS-UHFFFAOYSA-N 0 3 283.375 3.544 20 30 CHEDHN CSc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000404628680 1134947154 /nfs/dbraw/zinc/94/71/54/1134947154.db2.gz DUFQBGJPDOIVIX-UHFFFAOYSA-N 0 3 286.375 3.709 20 30 CHEDHN CCCCCCCCCCCOC[C@H]1CNCCO1 ZINC001217821456 1135005407 /nfs/dbraw/zinc/00/54/07/1135005407.db2.gz MKZOIDJJUFKZEQ-MRXNPFEDSA-N 0 3 271.445 3.522 20 30 CHEDHN CCCCCCCC[C@H](CC)OC[C@H]1CNCCO1 ZINC001217897175 1135020659 /nfs/dbraw/zinc/02/06/59/1135020659.db2.gz NQQLCPGDMJLTAA-JKSUJKDBSA-N 0 3 271.445 3.521 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2c(ccn2C)c1 ZINC001218862969 1135122185 /nfs/dbraw/zinc/12/21/85/1135122185.db2.gz SNOZOIXUOZSELG-INIZCTEOSA-N 0 3 299.418 3.581 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H](C)CCCC(C)C ZINC001220250033 1135148585 /nfs/dbraw/zinc/14/85/85/1135148585.db2.gz LFUIURQYLRGTBR-HOTGVXAUSA-N 0 3 282.472 3.781 20 30 CHEDHN N#Cc1ccc(F)c(CN2CCCCCCCC2)c1 ZINC000321946466 1135561953 /nfs/dbraw/zinc/56/19/53/1135561953.db2.gz NIENTZGRWUFYFQ-UHFFFAOYSA-N 0 3 260.356 3.854 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)[C@H]1CCC(C)(C)C1 ZINC000347323260 529976253 /nfs/dbraw/zinc/97/62/53/529976253.db2.gz DNRFKKCGEMTHGG-AWEZNQCLSA-N 0 3 260.356 3.708 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000347066666 533116131 /nfs/dbraw/zinc/11/61/31/533116131.db2.gz KKUITOFDBRSITK-FZMZJTMJSA-N 0 3 276.355 3.579 20 30 CHEDHN C=CC[C@H](CO)N[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000186698342 260004749 /nfs/dbraw/zinc/00/47/49/260004749.db2.gz WCANEFXZTSBFCD-GXFFZTMASA-N 0 3 279.767 3.674 20 30 CHEDHN C#CCOc1ccccc1CNCCC1=CCCCC1 ZINC000019984236 256784182 /nfs/dbraw/zinc/78/41/82/256784182.db2.gz ILFPHEPYVCPICC-UHFFFAOYSA-N 0 3 269.388 3.679 20 30 CHEDHN C=C(C)COCCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000163756815 262377158 /nfs/dbraw/zinc/37/71/58/262377158.db2.gz KNTWQKAYVQYTQE-MRXNPFEDSA-N 0 3 279.811 3.973 20 30 CHEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000347295771 533495172 /nfs/dbraw/zinc/49/51/72/533495172.db2.gz CHKPUUPYSBNMPP-XJKSGUPXSA-N 0 3 272.392 3.577 20 30 CHEDHN N#Cc1ccc(CN2CCC=C(c3ccccc3)C2)cc1 ZINC000341983223 130168805 /nfs/dbraw/zinc/16/88/05/130168805.db2.gz FFJNLGYYVVJUFN-UHFFFAOYSA-N 0 3 274.367 3.848 20 30 CHEDHN N#Cc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000020261968 171119816 /nfs/dbraw/zinc/11/98/16/171119816.db2.gz HYHQZZILWYQINU-UHFFFAOYSA-N 0 3 291.398 3.635 20 30 CHEDHN CC1(C)CC(/N=C/c2cc(Cl)ccc2[O-])CC(C)(C)[NH2+]1 ZINC000022726871 171396973 /nfs/dbraw/zinc/39/69/73/171396973.db2.gz RIQOYWHZYKGCLN-VCHYOVAHSA-N 0 3 294.826 3.774 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(C)c1O ZINC000035256369 172085994 /nfs/dbraw/zinc/08/59/94/172085994.db2.gz WXQINQVUHOGWQR-AWEZNQCLSA-N 0 3 280.371 3.732 20 30 CHEDHN C[C@H](NCc1cc(C#N)cs1)[C@H]1Oc2ccccc2[C@H]1C ZINC000344710332 225153759 /nfs/dbraw/zinc/15/37/59/225153759.db2.gz XAFPZFHNGWQCOM-PEBVRCNWSA-N 0 3 298.411 3.663 20 30 CHEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000334779362 225318721 /nfs/dbraw/zinc/31/87/21/225318721.db2.gz ZQWUKXOCBBGWRL-BDJLRTHQSA-N 0 3 268.385 3.958 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000334937078 225368404 /nfs/dbraw/zinc/36/84/04/225368404.db2.gz SKQXLFURIWHBRG-QGZVFWFLSA-N 0 3 293.395 3.659 20 30 CHEDHN Cc1ccccc1Oc1ccccc1CNC(=O)C(C)C#N ZINC000347105270 226051616 /nfs/dbraw/zinc/05/16/16/226051616.db2.gz BJOZAGWFTBBSBS-CQSZACIVSA-N 0 3 294.354 3.563 20 30 CHEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000347036370 226022912 /nfs/dbraw/zinc/02/29/12/226022912.db2.gz LWJSFGVMBGXVID-ZIAGYGMSSA-N 0 3 298.411 3.998 20 30 CHEDHN Cc1ncccc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000350679941 227053690 /nfs/dbraw/zinc/05/36/90/227053690.db2.gz BOVMJBAUCKUOHU-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1cccc(C#N)c1 ZINC000037319315 260087286 /nfs/dbraw/zinc/08/72/86/260087286.db2.gz BARYYDRUGUWIAE-OLZOCXBDSA-N 0 3 266.344 3.676 20 30 CHEDHN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCCCC#N ZINC000354842486 227158346 /nfs/dbraw/zinc/15/83/46/227158346.db2.gz WJKFUIFCQRHMGK-STQMWFEESA-N 0 3 260.356 3.827 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)C2)o1 ZINC000353640290 228136506 /nfs/dbraw/zinc/13/65/06/228136506.db2.gz CCCAHDGLTPDTHD-OAHLLOKOSA-N 0 3 266.344 3.531 20 30 CHEDHN COCc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000037762645 260116787 /nfs/dbraw/zinc/11/67/87/260116787.db2.gz XGBLSEMAMOMDTF-AWEZNQCLSA-N 0 3 280.371 3.555 20 30 CHEDHN CC#CCCNCc1ccc(F)c(Cl)c1Cl ZINC000309348404 260154928 /nfs/dbraw/zinc/15/49/28/260154928.db2.gz MHUQARHHOULKQK-UHFFFAOYSA-N 0 3 260.139 3.636 20 30 CHEDHN C=CCC(C)(C)CNCc1ccn(-c2ccccc2)n1 ZINC000312590726 260164488 /nfs/dbraw/zinc/16/44/88/260164488.db2.gz XJLRPHZDPGIBAJ-UHFFFAOYSA-N 0 3 269.392 3.564 20 30 CHEDHN COc1ccc(CN(C)Cc2ccccc2C)cc1C#N ZINC000087833205 260219329 /nfs/dbraw/zinc/21/93/29/260219329.db2.gz CBRFLUYMEUDJJF-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cnc2ccsc2c1 ZINC000090450982 260359396 /nfs/dbraw/zinc/35/93/96/260359396.db2.gz YSDFXBNROZARKL-LBPRGKRZSA-N 0 3 276.405 3.540 20 30 CHEDHN COc1ccc(C#N)cc1CN(C)C1CCC(C)CC1 ZINC000130422700 260395697 /nfs/dbraw/zinc/39/56/97/260395697.db2.gz YSMMLFDTPUZSQJ-UHFFFAOYSA-N 0 3 272.392 3.577 20 30 CHEDHN C[C@@H](NCCCCC#N)c1nc2ccc(Cl)cc2n1C ZINC000091319617 260474041 /nfs/dbraw/zinc/47/40/41/260474041.db2.gz PSQZUHAHSFCHTF-LLVKDONJSA-N 0 3 290.798 3.571 20 30 CHEDHN C#CCCCCNCc1csc(-c2cccs2)n1 ZINC000150731066 260583326 /nfs/dbraw/zinc/58/33/26/260583326.db2.gz YDDMFSOEJWYFAV-UHFFFAOYSA-N 0 3 276.430 3.765 20 30 CHEDHN C=CCC[C@H](CC)N[C@H](COC)c1ccc(C)o1 ZINC000156483795 260794952 /nfs/dbraw/zinc/79/49/52/260794952.db2.gz QPIVXZIYGGYWBZ-UONOGXRCSA-N 0 3 251.370 3.610 20 30 CHEDHN C=CCCCNCc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000448358478 261127136 /nfs/dbraw/zinc/12/71/36/261127136.db2.gz DQSZQBDYBCLPKW-UHFFFAOYSA-N 0 3 299.370 3.789 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3sccc32)s1 ZINC000157909605 261155514 /nfs/dbraw/zinc/15/55/14/261155514.db2.gz JPHPXADZJSLWGQ-ZDUSSCGKSA-N 0 3 274.414 3.848 20 30 CHEDHN Cc1ccncc1CN(C)CCCCC(C)(C)C#N ZINC000361412464 261247044 /nfs/dbraw/zinc/24/70/44/261247044.db2.gz JKJDIQRJDDGYDZ-UHFFFAOYSA-N 0 3 259.397 3.542 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OC(C)(C)C)CC1 ZINC000162319090 261277078 /nfs/dbraw/zinc/27/70/78/261277078.db2.gz SHHLCZBMOWWNDT-CQSZACIVSA-N 0 3 286.419 3.899 20 30 CHEDHN C[C@H](CNc1ccc(F)cc1C#N)N(C)Cc1ccccc1 ZINC000301408645 261333629 /nfs/dbraw/zinc/33/36/29/261333629.db2.gz WTDJWYBJJZLMIJ-CQSZACIVSA-N 0 3 297.377 3.630 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccccc1SC ZINC000184086067 262008210 /nfs/dbraw/zinc/00/82/10/262008210.db2.gz PLKLZFJKENXKFS-OCCSQVGLSA-N 0 3 262.422 3.621 20 30 CHEDHN C[C@H](NCc1ccc(C(C)(C)O)cc1)c1cccc(C#N)c1 ZINC000186601281 262101878 /nfs/dbraw/zinc/10/18/78/262101878.db2.gz FLDUWYJFHGLCMD-AWEZNQCLSA-N 0 3 294.398 3.636 20 30 CHEDHN N#CCC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000193039294 262215112 /nfs/dbraw/zinc/21/51/12/262215112.db2.gz SCBYFEQLXFJBGK-USXIJHARSA-N 0 3 267.376 3.703 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCCc3sccc32)C1 ZINC000193295622 262220158 /nfs/dbraw/zinc/22/01/58/262220158.db2.gz HIZNBTUJCKCVQQ-SCRDCRAPSA-N 0 3 260.406 3.797 20 30 CHEDHN CSCc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000193327525 262220477 /nfs/dbraw/zinc/22/04/77/262220477.db2.gz AGGXLCFMYBDCNV-XJKSGUPXSA-N 0 3 274.433 3.722 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000186706933 262320979 /nfs/dbraw/zinc/32/09/79/262320979.db2.gz UMCMPZHQTFVHKC-UWVGGRQHSA-N 0 3 274.191 3.581 20 30 CHEDHN C[C@H](CC#N)N(C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187180739 262391294 /nfs/dbraw/zinc/39/12/94/262391294.db2.gz KGLCGJMICRGHQZ-DJIMGWMZSA-N 0 3 256.393 3.731 20 30 CHEDHN COc1ccc(CN(C)CCCCC(C)(C)C#N)cc1O ZINC000336845502 262399152 /nfs/dbraw/zinc/39/91/52/262399152.db2.gz VIISRMORXCXFNR-UHFFFAOYSA-N 0 3 290.407 3.553 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)NCc1csc(CC)n1 ZINC000414530303 262984445 /nfs/dbraw/zinc/98/44/45/262984445.db2.gz DQEGMCVPYVGPJG-HNNXBMFYSA-N 0 3 286.444 3.983 20 30 CHEDHN COc1ccc([C@H](NCCC(C)(C)C#N)C2CC2)cc1 ZINC000271992950 263000855 /nfs/dbraw/zinc/00/08/55/263000855.db2.gz FGPMSQYMIYQPCP-MRXNPFEDSA-N 0 3 272.392 3.676 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(-c2ccccc2)o1 ZINC000273282759 263014757 /nfs/dbraw/zinc/01/47/57/263014757.db2.gz QPYAFPQNZZFNMW-CYBMUJFWSA-N 0 3 254.333 3.901 20 30 CHEDHN CCOc1ccc(Cl)cc1[C@@H](C)NCCCC#N ZINC000273300162 263014800 /nfs/dbraw/zinc/01/48/00/263014800.db2.gz URLFOZZGZUSRDL-LLVKDONJSA-N 0 3 266.772 3.693 20 30 CHEDHN CC(C)C[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000437582611 263020412 /nfs/dbraw/zinc/02/04/12/263020412.db2.gz YVJAPIXKEQXANX-MRXNPFEDSA-N 0 3 259.368 3.545 20 30 CHEDHN CC[C@H](NCCCC#N)c1cccc(Cl)c1F ZINC000274080925 263021351 /nfs/dbraw/zinc/02/13/51/263021351.db2.gz RAZUJQDIXJZWAH-LBPRGKRZSA-N 0 3 254.736 3.824 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000213540343 263063703 /nfs/dbraw/zinc/06/37/03/263063703.db2.gz ORFLTGGERJQHLT-HNNXBMFYSA-N 0 3 260.356 3.852 20 30 CHEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000281146784 263066677 /nfs/dbraw/zinc/06/66/77/263066677.db2.gz BCZYUYNNUAJLJJ-WMZOPIPTSA-N 0 3 298.430 3.780 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000282185532 263074970 /nfs/dbraw/zinc/07/49/70/263074970.db2.gz GAGDCAISCFQXEY-LOWVWBTDSA-N 0 3 298.308 3.928 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C)c(C)o1 ZINC000282735374 263078298 /nfs/dbraw/zinc/07/82/98/263078298.db2.gz MVKCDCSBVGQIHF-XPKDYRNWSA-N 0 3 263.381 3.528 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)Cc1cccc(Cl)c1 ZINC000282852783 263079142 /nfs/dbraw/zinc/07/91/42/263079142.db2.gz SYSRSXSPPVHFPR-BXUZGUMPSA-N 0 3 250.773 3.553 20 30 CHEDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2CCC(C#N)CC2)c([O-])c1 ZINC000285286664 263091680 /nfs/dbraw/zinc/09/16/80/263091680.db2.gz RKRLTOMKIRRQRT-QQFBHYJXSA-N 0 3 286.419 3.990 20 30 CHEDHN COc1cccc(C=C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000292735817 263134502 /nfs/dbraw/zinc/13/45/02/263134502.db2.gz GYRBOBBVBYTMSZ-ZWKOTPCHSA-N 0 3 296.414 3.867 20 30 CHEDHN CN(Cc1cc2ccccc2o1)[C@H]1CC[C@H](C#N)C1 ZINC000292833114 263135476 /nfs/dbraw/zinc/13/54/76/263135476.db2.gz OYMAZXUAMMXXFR-JSGCOSHPSA-N 0 3 254.333 3.557 20 30 CHEDHN CN(Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000293347758 263139424 /nfs/dbraw/zinc/13/94/24/263139424.db2.gz DLVVMSIZGHISFB-RISCZKNCSA-N 0 3 282.309 3.829 20 30 CHEDHN C=C[C@@H](CO)N[C@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000353569208 263172362 /nfs/dbraw/zinc/17/23/62/263172362.db2.gz KNCOFXKTWLJLPE-SMDDNHRTSA-N 0 3 288.218 3.971 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000298869949 263227378 /nfs/dbraw/zinc/22/73/78/263227378.db2.gz JMESKZBZKOUIIK-STQMWFEESA-N 0 3 290.382 3.957 20 30 CHEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000299714809 263252972 /nfs/dbraw/zinc/25/29/72/263252972.db2.gz RDANPWQWZGOZFH-MNOVXSKESA-N 0 3 268.307 3.631 20 30 CHEDHN CC(C)Oc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 ZINC000299731806 263253786 /nfs/dbraw/zinc/25/37/86/263253786.db2.gz XKEPMBFOTBBREW-KBPBESRZSA-N 0 3 260.381 3.817 20 30 CHEDHN C=C(C)COCCN[C@H](CCC(C)C)c1ccoc1 ZINC000353625584 263276604 /nfs/dbraw/zinc/27/66/04/263276604.db2.gz VZCKWKXFILCNDF-MRXNPFEDSA-N 0 3 265.397 3.939 20 30 CHEDHN C=CCC[C@@H](NCc1ncc(CC)s1)C1CC1 ZINC000121424726 263293582 /nfs/dbraw/zinc/29/35/82/263293582.db2.gz SYFZITRVIMSZES-CYBMUJFWSA-N 0 3 250.411 3.540 20 30 CHEDHN C=CCC[C@@H](O)CN[C@H](CC(F)(F)F)c1ccccc1 ZINC000341571952 263342051 /nfs/dbraw/zinc/34/20/51/263342051.db2.gz IQCBUIARECZIFX-ZIAGYGMSSA-N 0 3 287.325 3.597 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C2CC2)cc1 ZINC000417355051 263799580 /nfs/dbraw/zinc/79/95/80/263799580.db2.gz NCGUBYZEVFRRGE-OGHNNQOOSA-N 0 3 254.377 3.907 20 30 CHEDHN CC1(C)CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000330681210 264002607 /nfs/dbraw/zinc/00/26/07/264002607.db2.gz GGSVTXNPXHKXAV-MRXNPFEDSA-N 0 3 298.430 3.844 20 30 CHEDHN C=CCC[C@@H](CC)NCC(=O)Nc1ccc(C)cc1Cl ZINC000425371349 264202218 /nfs/dbraw/zinc/20/22/18/264202218.db2.gz QARPUCRHPUWMCO-CYBMUJFWSA-N 0 3 294.826 3.921 20 30 CHEDHN N#Cc1cc(CN2CC[C@@H](Cc3ccccc3)C2)ccc1F ZINC000468272689 264289767 /nfs/dbraw/zinc/28/97/67/264289767.db2.gz NZMRSGQRGNVOST-KRWDZBQOSA-N 0 3 294.373 3.762 20 30 CHEDHN C=C(C)[C@@H](NC[C@H](OC)C1CC1)c1ccc(F)c(F)c1 ZINC000425436082 264319273 /nfs/dbraw/zinc/31/92/73/264319273.db2.gz VCBGRMRATQXCOB-JKSUJKDBSA-N 0 3 281.346 3.597 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000349846954 265210641 /nfs/dbraw/zinc/21/06/41/265210641.db2.gz DYRKMLAHMGWLNB-KBXCAEBGSA-N 0 3 277.371 3.530 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000349846486 265210652 /nfs/dbraw/zinc/21/06/52/265210652.db2.gz BRJQYLKTXZIKDJ-SKDRFNHKSA-N 0 3 286.272 3.626 20 30 CHEDHN C=CCOc1ccc(CNCc2cscc2C)cc1 ZINC000094877098 265269505 /nfs/dbraw/zinc/26/95/05/265269505.db2.gz AQOBQKISGNLCSK-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN C[C@H](NC[C@H]1OCCc2ccccc21)c1cccc(C#N)c1 ZINC000367748736 267114547 /nfs/dbraw/zinc/11/45/47/267114547.db2.gz JUNUTDZXXCHNOO-IFXJQAMLSA-N 0 3 292.382 3.523 20 30 CHEDHN N#CCC1(CN[C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000370668282 267336436 /nfs/dbraw/zinc/33/64/36/267336436.db2.gz UZBIQIASMVEFPH-CQSZACIVSA-N 0 3 290.794 3.837 20 30 CHEDHN N#CC1(CN[C@@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000418141552 267363701 /nfs/dbraw/zinc/36/37/01/267363701.db2.gz LEUHJZMPGROWLA-HZPDHXFCSA-N 0 3 254.377 3.606 20 30 CHEDHN N#CCCCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374537022 267800968 /nfs/dbraw/zinc/80/09/68/267800968.db2.gz KRSHCIXQYQAUTP-GFCCVEGCSA-N 0 3 274.330 3.735 20 30 CHEDHN C[C@H](NCCCCC#N)c1cc(Br)ccc1F ZINC000178646525 327795238 /nfs/dbraw/zinc/79/52/38/327795238.db2.gz JUINKOLXJZRRCG-JTQLQIEISA-N 0 3 299.187 3.933 20 30 CHEDHN C[C@@H]1CCCC[C@H]1OCCN1CCC(CCC#N)CC1 ZINC000563069159 327874013 /nfs/dbraw/zinc/87/40/13/327874013.db2.gz UMGSQZKYBLOODS-NVXWUHKLSA-N 0 3 278.440 3.597 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccc(C3CCC3)cc2)C1 ZINC000339363379 328008237 /nfs/dbraw/zinc/00/82/37/328008237.db2.gz SXISGRAAAJOWHL-YOEHRIQHSA-N 0 3 254.377 3.736 20 30 CHEDHN N#C[C@H]1CC[C@H](N2CCC(=Cc3cccc(F)c3)CC2)C1 ZINC000563350599 328057179 /nfs/dbraw/zinc/05/71/79/328057179.db2.gz PGJFYEJEFYINHR-WMZOPIPTSA-N 0 3 284.378 3.997 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3cc(F)ccc31)CC2 ZINC000571368770 328117338 /nfs/dbraw/zinc/11/73/38/328117338.db2.gz VIPHHFVGEQCHIF-RBUKOAKNSA-N 0 3 292.357 3.962 20 30 CHEDHN N#CCOc1ccc(CNC2(c3ccccc3)CCC2)cc1 ZINC000264555193 328160267 /nfs/dbraw/zinc/16/02/67/328160267.db2.gz MJBHUQQXTOMGAE-UHFFFAOYSA-N 0 3 292.382 3.758 20 30 CHEDHN CC(C)N(Cc1ccco1)Cc1ccc(OCC#N)cc1 ZINC000264573369 328160468 /nfs/dbraw/zinc/16/04/68/328160468.db2.gz SSYJZWSIXWYRFQ-UHFFFAOYSA-N 0 3 284.359 3.593 20 30 CHEDHN N#CCCN[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414450147 328177251 /nfs/dbraw/zinc/17/72/51/328177251.db2.gz WMJIDMJVMTVKRX-HIFRSBDPSA-N 0 3 262.784 3.869 20 30 CHEDHN C[C@H](C#N)CN(C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437596530 328209365 /nfs/dbraw/zinc/20/93/65/328209365.db2.gz YXQUSVHONXGTNS-PVAVHDDUSA-N 0 3 256.393 3.588 20 30 CHEDHN CSc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000278797440 328230301 /nfs/dbraw/zinc/23/03/01/328230301.db2.gz QWQFXFYTNQQEQJ-UKRRQHHQSA-N 0 3 274.433 3.889 20 30 CHEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000278837132 328231042 /nfs/dbraw/zinc/23/10/42/328231042.db2.gz UMYIWDGPDVROMJ-IXKJSCDLSA-N 0 3 290.382 3.574 20 30 CHEDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCCCC#N ZINC000278854908 328231188 /nfs/dbraw/zinc/23/11/88/328231188.db2.gz FYDLFKQBCYULBH-OAHLLOKOSA-N 0 3 280.799 3.653 20 30 CHEDHN C=CCSCCN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000180459505 329217571 /nfs/dbraw/zinc/21/75/71/329217571.db2.gz BGHFVWIHCOKXLF-CYBMUJFWSA-N 0 3 295.448 3.582 20 30 CHEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCC1(F)F ZINC000289949303 328256953 /nfs/dbraw/zinc/25/69/53/328256953.db2.gz VWXRHSWIYONVQD-CYBMUJFWSA-N 0 3 292.373 3.965 20 30 CHEDHN CC(F)(F)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000340426743 328275998 /nfs/dbraw/zinc/27/59/98/328275998.db2.gz NSGLNORQUNQELG-GXTWGEPZSA-N 0 3 264.319 3.580 20 30 CHEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cnn(C)c1 ZINC000340430920 328276669 /nfs/dbraw/zinc/27/66/69/328276669.db2.gz AHJXASMVCQSYSS-YOEHRIQHSA-N 0 3 282.391 3.506 20 30 CHEDHN CC(C)[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000395876121 329301753 /nfs/dbraw/zinc/30/17/53/329301753.db2.gz ANMOTEHOUOKKNS-HNNXBMFYSA-N 0 3 260.356 3.708 20 30 CHEDHN N#CC[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000296446532 328290639 /nfs/dbraw/zinc/29/06/39/328290639.db2.gz MPFXJEKOASJTTH-IEZWGBDMSA-N 0 3 291.398 3.843 20 30 CHEDHN COc1cccc(C=C2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000298631318 328297062 /nfs/dbraw/zinc/29/70/62/328297062.db2.gz OREHJNJAJDBMRT-HNNXBMFYSA-N 0 3 284.403 3.867 20 30 CHEDHN CN(CC#Cc1ccc(F)cc1)CCCc1ccccc1 ZINC000534602400 328320951 /nfs/dbraw/zinc/32/09/51/328320951.db2.gz VZTIWRLRFUNKSH-UHFFFAOYSA-N 0 3 281.374 3.742 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000049577379 328372700 /nfs/dbraw/zinc/37/27/00/328372700.db2.gz GMMULSABDOHTKT-UHFFFAOYSA-N 0 3 289.325 3.819 20 30 CHEDHN C=CCC[C@H](NCCC(=O)Nc1ccccc1)c1ccco1 ZINC000286339465 328521771 /nfs/dbraw/zinc/52/17/71/328521771.db2.gz YGRRGKKEETYKEE-INIZCTEOSA-N 0 3 298.386 3.905 20 30 CHEDHN C[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2F)C[C@@H]1C ZINC000085056023 326963501 /nfs/dbraw/zinc/96/35/01/326963501.db2.gz JLMFNJXNQAOTFT-TYNCELHUSA-N 0 3 260.356 3.612 20 30 CHEDHN C=C(CC)CN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000557304836 327001126 /nfs/dbraw/zinc/00/11/26/327001126.db2.gz AQWDZTJJCHAFRK-UHFFFAOYSA-N 0 3 285.334 3.695 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000557521645 327011340 /nfs/dbraw/zinc/01/13/40/327011340.db2.gz RABHTNBCHYCXFF-YZGWKJHDSA-N 0 3 291.394 3.679 20 30 CHEDHN CC(C#N)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000558579822 327107675 /nfs/dbraw/zinc/10/76/75/327107675.db2.gz ZVVNIQFBFKMCGZ-SDBXPKJASA-N 0 3 297.185 3.720 20 30 CHEDHN C=CCOCCN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000559147296 327143185 /nfs/dbraw/zinc/14/31/85/327143185.db2.gz QOPLWQCFSCCOKA-OAHLLOKOSA-N 0 3 283.362 3.844 20 30 CHEDHN C[C@@H](c1ccco1)N(CCOc1cccc(C#N)c1)C1CC1 ZINC000086234104 327156234 /nfs/dbraw/zinc/15/62/34/327156234.db2.gz FLNRWQQFHKVSRT-AWEZNQCLSA-N 0 3 296.370 3.756 20 30 CHEDHN C[C@H]1CCC[C@H](N(C)Cc2cc(C#N)ccc2F)C1 ZINC000042373855 327237421 /nfs/dbraw/zinc/23/74/21/327237421.db2.gz KXMMZFFPPOFBFM-WFASDCNBSA-N 0 3 260.356 3.708 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000559431284 327245047 /nfs/dbraw/zinc/24/50/47/327245047.db2.gz AZZLDTJWMDGIHT-HOTGVXAUSA-N 0 3 284.403 3.577 20 30 CHEDHN CN1CCN(CCCCC(C)(C)C#N)CC12CCCCC2 ZINC000577884171 327285454 /nfs/dbraw/zinc/28/54/54/327285454.db2.gz DVCHWEGLSWKTAJ-UHFFFAOYSA-N 0 3 291.483 3.657 20 30 CHEDHN C=CCC[C@@H](NC[C@H]1Cc2ccccc2O1)c1ccco1 ZINC000560544872 327322362 /nfs/dbraw/zinc/32/23/62/327322362.db2.gz KAKHCJUMCHAETD-HZPDHXFCSA-N 0 3 283.371 3.880 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1Cc2ccccc2O1)c1ccco1 ZINC000560544871 327322431 /nfs/dbraw/zinc/32/24/31/327322431.db2.gz KAKHCJUMCHAETD-HOTGVXAUSA-N 0 3 283.371 3.880 20 30 CHEDHN C=C(C)[C@@H](NCCCC(=O)OCC)c1ccc(F)c(F)c1 ZINC000187771669 327347004 /nfs/dbraw/zinc/34/70/04/327347004.db2.gz XLQVIEFXNDPSPT-MRXNPFEDSA-N 0 3 297.345 3.515 20 30 CHEDHN C/C=C\COc1ccc(CC[C@H](C)NCC2(C#N)CC2)cc1 ZINC000583418197 327354328 /nfs/dbraw/zinc/35/43/28/327354328.db2.gz VAZYCWUXCKKBON-QGZUEGPWSA-N 0 3 298.430 3.856 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000355095756 327376857 /nfs/dbraw/zinc/37/68/57/327376857.db2.gz BVDKZBOOEHHVCR-WFASDCNBSA-N 0 3 260.768 3.586 20 30 CHEDHN C=CCCCNCc1ccc(-c2ccncc2)cc1F ZINC000562616970 327499502 /nfs/dbraw/zinc/49/95/02/327499502.db2.gz HMVNQBQCJPAAAB-UHFFFAOYSA-N 0 3 270.351 3.944 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2cscc2Br)C1 ZINC000294983587 327589973 /nfs/dbraw/zinc/58/99/73/327589973.db2.gz GUVPHDCNOOHRGK-ONGXEEELSA-N 0 3 299.237 3.683 20 30 CHEDHN COc1cc(CN[C@H]2CCCc3ccccc32)ccc1C#N ZINC000281703111 327606168 /nfs/dbraw/zinc/60/61/68/327606168.db2.gz NWOKSDINEOJNCW-SFHVURJKSA-N 0 3 292.382 3.734 20 30 CHEDHN C[C@@H](NC[C@H](C)C#N)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000526986002 328818145 /nfs/dbraw/zinc/81/81/45/328818145.db2.gz RSFHGYIUYYMZDE-CHWFTXMASA-N 0 3 268.813 3.643 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1ccc(Br)c(F)c1 ZINC000389980897 328964153 /nfs/dbraw/zinc/96/41/53/328964153.db2.gz IVRZRDOXMVUECM-DTWKUNHWSA-N 0 3 272.161 3.813 20 30 CHEDHN N#Cc1cccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000377768982 329028759 /nfs/dbraw/zinc/02/87/59/329028759.db2.gz AJYIGEWTDCWSAM-MOPGFXCFSA-N 0 3 292.382 3.568 20 30 CHEDHN C=CC[C@@H](CC)NCc1nc2ccccc2n1CC ZINC000393782695 329089776 /nfs/dbraw/zinc/08/97/76/329089776.db2.gz QTILMMCRHUERTP-CYBMUJFWSA-N 0 3 257.381 3.501 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCc2ccc(F)cc21 ZINC000177683929 329188974 /nfs/dbraw/zinc/18/89/74/329188974.db2.gz KMQPWVJMNCFCAH-GOSISDBHSA-N 0 3 280.346 3.817 20 30 CHEDHN C=CCN1CCC(N[C@H](CC)c2cc(F)ccc2F)CC1 ZINC000177907182 329189887 /nfs/dbraw/zinc/18/98/87/329189887.db2.gz XURCPIANQKQIAB-QGZVFWFLSA-N 0 3 294.389 3.656 20 30 CHEDHN N#CCCC1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000583021558 329298602 /nfs/dbraw/zinc/29/86/02/329298602.db2.gz HGPAABFLXRIYIF-UHFFFAOYSA-N 0 3 292.810 3.735 20 30 CHEDHN CSc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185796613 329332024 /nfs/dbraw/zinc/33/20/24/329332024.db2.gz TYXZTWHZFUZYAQ-UONOGXRCSA-N 0 3 260.406 3.580 20 30 CHEDHN CC[C@@H](NCCCCC(C)(C)C#N)c1nccs1 ZINC000233887459 329410766 /nfs/dbraw/zinc/41/07/66/329410766.db2.gz NODHUXPHIRATEF-GFCCVEGCSA-N 0 3 265.426 3.904 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(-c3ccccn3)c2)C1 ZINC000193039067 329438386 /nfs/dbraw/zinc/43/83/86/329438386.db2.gz PHJFILSHGPHFST-QAPCUYQASA-N 0 3 291.398 3.921 20 30 CHEDHN CC(C)c1ccc(C[C@H](C)NC[C@H](C#N)CCC#N)cc1 ZINC000583867075 329521729 /nfs/dbraw/zinc/52/17/29/329521729.db2.gz RAATXCVJQOWUJZ-RDJZCZTQSA-N 0 3 283.419 3.774 20 30 CHEDHN Cc1ccc(OC2CCN(CCCCC#N)CC2)cc1C ZINC000102397501 329534283 /nfs/dbraw/zinc/53/42/83/329534283.db2.gz PDPKWLMJJJKTEO-UHFFFAOYSA-N 0 3 286.419 3.841 20 30 CHEDHN Cc1cccc(O[C@H](C)CNCc2ccc(C#N)c(F)c2)c1 ZINC000421368447 329824144 /nfs/dbraw/zinc/82/41/44/329824144.db2.gz UZJQVJKTMHNCSE-CQSZACIVSA-N 0 3 298.361 3.563 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCOc3c(F)cccc32)C1 ZINC000248876685 329901415 /nfs/dbraw/zinc/90/14/15/329901415.db2.gz RCRSTSIKEGTWNP-DVOMOZLQSA-N 0 3 288.366 3.711 20 30 CHEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000270350985 330078092 /nfs/dbraw/zinc/07/80/92/330078092.db2.gz PUYWPUKTAIORRL-KBPBESRZSA-N 0 3 296.480 3.895 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1sc(C)nc1C ZINC000272230327 330084949 /nfs/dbraw/zinc/08/49/49/330084949.db2.gz DMYMBKYNTRFYKJ-UHFFFAOYSA-N 0 3 276.405 3.584 20 30 CHEDHN C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000273503537 330096919 /nfs/dbraw/zinc/09/69/19/330096919.db2.gz QOEWFFGBMXVRMJ-HNNXBMFYSA-N 0 3 295.382 3.563 20 30 CHEDHN COC1([C@H](C)NCc2ccc(C#N)c(F)c2)CCCCC1 ZINC000421865713 330099067 /nfs/dbraw/zinc/09/90/67/330099067.db2.gz ZWLNTLZUGZQLJD-ZDUSSCGKSA-N 0 3 290.382 3.525 20 30 CHEDHN C=CCC[C@@H](NCCc1cn2ccccc2n1)c1ccco1 ZINC000276507402 330114317 /nfs/dbraw/zinc/11/43/17/330114317.db2.gz YRLZSXHZCTUIPE-MRXNPFEDSA-N 0 3 295.386 3.767 20 30 CHEDHN C[C@@H](NCc1cccc2c1CCCN2)c1cccc(C#N)c1 ZINC000423411807 330197193 /nfs/dbraw/zinc/19/71/93/330197193.db2.gz GJEALKBEXIEOEX-CQSZACIVSA-N 0 3 291.398 3.767 20 30 CHEDHN C[C@H](NCc1cccc2c1CCCN2)c1ccc(C#N)cc1 ZINC000423414764 330197549 /nfs/dbraw/zinc/19/75/49/330197549.db2.gz NYNUCPQWSAMVMU-AWEZNQCLSA-N 0 3 291.398 3.767 20 30 CHEDHN C=CCC[C@@H](NCc1cc(C)cc(N)c1)c1ccco1 ZINC000423476546 330205638 /nfs/dbraw/zinc/20/56/38/330205638.db2.gz KKNJIYDPCANUOD-MRXNPFEDSA-N 0 3 270.376 3.967 20 30 CHEDHN CC(C)C[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000396871808 330228155 /nfs/dbraw/zinc/22/81/55/330228155.db2.gz OMJRUMYWGSZLNQ-OAHLLOKOSA-N 0 3 260.356 3.708 20 30 CHEDHN CC(C)C[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000396894033 330228725 /nfs/dbraw/zinc/22/87/25/330228725.db2.gz YFQRJFKTIQEROK-HNNXBMFYSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000424117053 330243827 /nfs/dbraw/zinc/24/38/27/330243827.db2.gz CGCGIMNNINQYIS-UHIISALHSA-N 0 3 293.208 3.792 20 30 CHEDHN CC(C)Cc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000527916665 330295228 /nfs/dbraw/zinc/29/52/28/330295228.db2.gz BJJYVUWAOKJOHG-RHSMWYFYSA-N 0 3 256.393 3.667 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(Cl)ccc1Cl ZINC000424168080 330309952 /nfs/dbraw/zinc/30/99/52/330309952.db2.gz FVGDEOIDGNQOMW-HZMBPMFUSA-N 0 3 286.202 3.674 20 30 CHEDHN CC(C)n1cncc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000424169036 330310551 /nfs/dbraw/zinc/31/05/51/330310551.db2.gz GQYIUKQOSWUQCN-SFHVURJKSA-N 0 3 296.418 3.989 20 30 CHEDHN C=CC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532965486 330323554 /nfs/dbraw/zinc/32/35/54/330323554.db2.gz FBJZEDMJXJBAKJ-UHFFFAOYSA-N 0 3 279.387 3.542 20 30 CHEDHN CC(C)COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424199098 330326224 /nfs/dbraw/zinc/32/62/24/330326224.db2.gz PSEQEAAEDSRBKB-JKSUJKDBSA-N 0 3 272.392 3.503 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cccc(-c3ccncc3)c2)C1 ZINC000424202903 330326987 /nfs/dbraw/zinc/32/69/87/330326987.db2.gz TXNXVBAVFFLCRS-KDOFPFPSSA-N 0 3 277.371 3.530 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(s1)CCC2 ZINC000424318637 330339911 /nfs/dbraw/zinc/33/99/11/330339911.db2.gz DBTJTLWDKSMLKG-NTZNESFSSA-N 0 3 260.406 3.580 20 30 CHEDHN Cc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc(C)c1F ZINC000424335551 330343445 /nfs/dbraw/zinc/34/34/45/330343445.db2.gz WXDFETLZWFUDLD-VNHYZAJKSA-N 0 3 260.356 3.785 20 30 CHEDHN C=CCCN1CCC[C@H]1c1nc2ccccc2n1CC ZINC000084131773 330361158 /nfs/dbraw/zinc/36/11/58/330361158.db2.gz RULNDOCFPQFORI-INIZCTEOSA-N 0 3 269.392 3.769 20 30 CHEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](CC)CCCC)CC1 ZINC000117254639 330364262 /nfs/dbraw/zinc/36/42/62/330364262.db2.gz TURMQFXXPVBSFI-INIZCTEOSA-N 0 3 294.483 3.750 20 30 CHEDHN C=CCCC[C@@H](C)N(C)Cc1cc(Br)cn1C ZINC000536995410 330375451 /nfs/dbraw/zinc/37/54/51/330375451.db2.gz ITIRMMOWLGXQBE-GFCCVEGCSA-N 0 3 299.256 3.964 20 30 CHEDHN C=CC[C@H](CO)CNCc1ccc(-c2ccc(C)cc2)o1 ZINC000537022256 330385404 /nfs/dbraw/zinc/38/54/04/330385404.db2.gz FDUBAUJLYHUISK-HNNXBMFYSA-N 0 3 285.387 3.529 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000120604569 330390534 /nfs/dbraw/zinc/39/05/34/330390534.db2.gz NNIYCZKGLRZYBB-SNVBAGLBSA-N 0 3 284.197 3.684 20 30 CHEDHN C=C(C)COCCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000090451087 330392533 /nfs/dbraw/zinc/39/25/33/330392533.db2.gz QQALDCGYPJCYJC-HNNXBMFYSA-N 0 3 295.810 3.736 20 30 CHEDHN C=C(C)COCCN[C@@H]1CCSc2ccc(F)cc21 ZINC000090451396 330392742 /nfs/dbraw/zinc/39/27/42/330392742.db2.gz PFGNAQFXTDAISN-CQSZACIVSA-N 0 3 281.396 3.545 20 30 CHEDHN C=CCCC[C@H](C)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000537048661 330394730 /nfs/dbraw/zinc/39/47/30/330394730.db2.gz WBWQIBALIXSTQX-STQMWFEESA-N 0 3 279.346 3.775 20 30 CHEDHN C=CCc1cc(CN2CCC(C=C)CC2)cc(OC)c1O ZINC000093359212 330419568 /nfs/dbraw/zinc/41/95/68/330419568.db2.gz YELWCFIQJUPCIX-UHFFFAOYSA-N 0 3 287.403 3.527 20 30 CHEDHN C=CCC[C@@H](NCCc1ccc(C)nc1)c1ccco1 ZINC000515049300 330470237 /nfs/dbraw/zinc/47/02/37/330470237.db2.gz PHBBGKGVSZGLKG-MRXNPFEDSA-N 0 3 270.376 3.823 20 30 CHEDHN Cc1cc(C)nc(NCc2ccc(F)c(C#N)c2Cl)c1 ZINC000428882872 330534155 /nfs/dbraw/zinc/53/41/55/330534155.db2.gz SROQBOJFLBJGMH-UHFFFAOYSA-N 0 3 289.741 3.975 20 30 CHEDHN CC[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1F ZINC000429791394 330555038 /nfs/dbraw/zinc/55/50/38/330555038.db2.gz ATJSSJPQMNLCAI-AWEZNQCLSA-N 0 3 264.319 3.699 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc3c(c2)CCCC3)CC1 ZINC000430074856 330558672 /nfs/dbraw/zinc/55/86/72/330558672.db2.gz FUOYZNRQFLRSBS-UHFFFAOYSA-N 0 3 268.404 3.691 20 30 CHEDHN COc1ccc([C@@H](NCC2(CC#N)CC2)C(C)C)cc1 ZINC000430746516 330572536 /nfs/dbraw/zinc/57/25/36/330572536.db2.gz HTGWVUGBUGQIAM-INIZCTEOSA-N 0 3 272.392 3.676 20 30 CHEDHN N#C[C@H]1CC[C@H](NCCSc2ccc(Cl)cc2)C1 ZINC000442634710 330777770 /nfs/dbraw/zinc/77/77/70/330777770.db2.gz HOCPVCARAYIZTR-AAEUAGOBSA-N 0 3 280.824 3.714 20 30 CHEDHN CC(C)(C)c1cccc(OCCN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442869994 330788949 /nfs/dbraw/zinc/78/89/49/330788949.db2.gz CIONTGGPTMLKQG-HOCLYGCPSA-N 0 3 286.419 3.645 20 30 CHEDHN CC(C)(C)c1cccc(OCCN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442869992 330789007 /nfs/dbraw/zinc/78/90/07/330789007.db2.gz CIONTGGPTMLKQG-GDBMZVCRSA-N 0 3 286.419 3.645 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CSc3ccccc32)C1 ZINC000447539543 330869011 /nfs/dbraw/zinc/86/90/11/330869011.db2.gz HBDURTINCVIAHA-YRGRVCCFSA-N 0 3 258.390 3.505 20 30 CHEDHN CC[C@H](NCc1ccc(OC)c(F)c1)c1ccc(C#N)cc1 ZINC000447559816 330869908 /nfs/dbraw/zinc/86/99/08/330869908.db2.gz BBEFKQHOIRXOLQ-KRWDZBQOSA-N 0 3 298.361 3.947 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000449194455 330905375 /nfs/dbraw/zinc/90/53/75/330905375.db2.gz PDHMYQLVLLTRSP-GJZGRUSLSA-N 0 3 290.455 3.961 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000449353144 330917876 /nfs/dbraw/zinc/91/78/76/330917876.db2.gz YLULOCITTDLVGP-RSAASHCRSA-N 0 3 276.330 3.624 20 30 CHEDHN Cc1csc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000449476713 330928889 /nfs/dbraw/zinc/92/88/89/330928889.db2.gz GTKKMCMELCWYNQ-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN C[C@@](Cc1ccccc1)(NCc1nc(C#N)cs1)C1CC1 ZINC000449774947 330949248 /nfs/dbraw/zinc/94/92/48/330949248.db2.gz LOEHTYALZPZAJW-KRWDZBQOSA-N 0 3 297.427 3.516 20 30 CHEDHN CCc1cc(N[C@H]2CC[C@@H](CC#N)C2)c2ccccc2n1 ZINC000450677404 330992942 /nfs/dbraw/zinc/99/29/42/330992942.db2.gz ZBNJAGSZCWJEGE-ZFWWWQNUSA-N 0 3 279.387 3.713 20 30 CHEDHN C[C@H](NCC1=CCCCC1)c1ccc(C#N)cc1F ZINC000450719626 330995516 /nfs/dbraw/zinc/99/55/16/330995516.db2.gz QNJAFSLSBTXRIW-LBPRGKRZSA-N 0 3 258.340 3.848 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000451606240 331036437 /nfs/dbraw/zinc/03/64/37/331036437.db2.gz MVZFTBZBVSASQD-GDLCADMTSA-N 0 3 285.309 3.700 20 30 CHEDHN N#CCCCN1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451965060 331048528 /nfs/dbraw/zinc/04/85/28/331048528.db2.gz LQZKKFOFEXBQTB-UHFFFAOYSA-N 0 3 278.346 3.523 20 30 CHEDHN CCO[C@@H]1CCCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000452031695 331051133 /nfs/dbraw/zinc/05/11/33/331051133.db2.gz AXZXKJQTCMWXNH-IAGOWNOFSA-N 0 3 291.822 3.629 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccccc1SC ZINC000194930985 331079577 /nfs/dbraw/zinc/07/95/77/331079577.db2.gz NCOHCFNGHRACIN-CYBMUJFWSA-N 0 3 265.422 3.652 20 30 CHEDHN C[C@H](CCCc1cccnc1)NCc1cccc(C#N)c1F ZINC000453214381 331102295 /nfs/dbraw/zinc/10/22/95/331102295.db2.gz JPZQTZSWPBIHHI-CQSZACIVSA-N 0 3 297.377 3.593 20 30 CHEDHN C=CCC[C@H](NC[C@H](CCC)OC)c1ccco1 ZINC000453260447 331108633 /nfs/dbraw/zinc/10/86/33/331108633.db2.gz YDUWDWYETNQZIW-KBPBESRZSA-N 0 3 251.370 3.692 20 30 CHEDHN C=CCC[C@H](NCCc1scnc1C)c1ccco1 ZINC000453303380 331113619 /nfs/dbraw/zinc/11/36/19/331113619.db2.gz FYQHTMHZXKJZQJ-ZDUSSCGKSA-N 0 3 276.405 3.884 20 30 CHEDHN C=CC(C)(C)CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000453314847 331115337 /nfs/dbraw/zinc/11/53/37/331115337.db2.gz YMXDFNCUFHBZMZ-LLVKDONJSA-N 0 3 264.438 3.885 20 30 CHEDHN C=CC(C)(C)CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000453314850 331115393 /nfs/dbraw/zinc/11/53/93/331115393.db2.gz YMXDFNCUFHBZMZ-NSHDSACASA-N 0 3 264.438 3.885 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000453341865 331119159 /nfs/dbraw/zinc/11/91/59/331119159.db2.gz DEKJIJRAISUGMH-QGTPRVQTSA-N 0 3 289.419 3.716 20 30 CHEDHN C=C(CC)CN[C@@H]1CCSc2ccc(OC)cc21 ZINC000453346741 331120098 /nfs/dbraw/zinc/12/00/98/331120098.db2.gz FZZHPZAUACSDBV-CQSZACIVSA-N 0 3 263.406 3.788 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000453357557 331121814 /nfs/dbraw/zinc/12/18/14/331121814.db2.gz OPMONKDPUMQBFN-KMUNFCNLSA-N 0 3 283.774 3.863 20 30 CHEDHN C=CCC[C@H](CO)N[C@H](CC)c1ccccc1OC(F)F ZINC000453377548 331125221 /nfs/dbraw/zinc/12/52/21/331125221.db2.gz XXAHWTCBQGOHAN-TZMCWYRMSA-N 0 3 299.361 3.656 20 30 CHEDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453417044 331130407 /nfs/dbraw/zinc/13/04/07/331130407.db2.gz UJJCYWLRZUFDQF-JCURWCKSSA-N 0 3 290.382 3.696 20 30 CHEDHN C[C@@H](CC(C)(C)C)NC(=O)C(C#N)CCc1ccccc1 ZINC000457184115 331214382 /nfs/dbraw/zinc/21/43/82/331214382.db2.gz BIPKGXWFJBXSIQ-GOEBONIOSA-N 0 3 286.419 3.700 20 30 CHEDHN C[C@@H]1CCCC[C@]1(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000457311905 331218710 /nfs/dbraw/zinc/21/87/10/331218710.db2.gz ZEFOGUAFJZBROD-AYBZRNKSSA-N 0 3 298.430 3.844 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000459648312 331292064 /nfs/dbraw/zinc/29/20/64/331292064.db2.gz KSLZJNZUEOQYRS-QJPTWQEYSA-N 0 3 264.438 3.883 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(Br)s1 ZINC000459700645 331295018 /nfs/dbraw/zinc/29/50/18/331295018.db2.gz SQAIETVOZIMHQO-UHFFFAOYSA-N 0 3 287.226 3.540 20 30 CHEDHN CN(CC1(C#N)CCC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459714361 331295392 /nfs/dbraw/zinc/29/53/92/331295392.db2.gz VACSEJRTIXAQOG-SJORKVTESA-N 0 3 268.404 3.948 20 30 CHEDHN CC(C)(CC#N)CNCc1cnc(C2CCCC2)s1 ZINC000459729576 331296316 /nfs/dbraw/zinc/29/63/16/331296316.db2.gz KDTIFAVSTSWMKS-UHFFFAOYSA-N 0 3 277.437 3.830 20 30 CHEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000461877627 331315051 /nfs/dbraw/zinc/31/50/51/331315051.db2.gz NOAUULWNFXDWMM-MLGOLLRUSA-N 0 3 298.773 3.705 20 30 CHEDHN CC#CCCN1CC=C(c2ccccc2OCC)CC1 ZINC000462308806 331318980 /nfs/dbraw/zinc/31/89/80/331318980.db2.gz AFQOTUYUGUAAKD-UHFFFAOYSA-N 0 3 269.388 3.588 20 30 CHEDHN Cc1cccc2c1ncc(C)c2NCc1ccc(C#N)cc1 ZINC000462485047 331322787 /nfs/dbraw/zinc/32/27/87/331322787.db2.gz BNKJBKGFRAWRLF-UHFFFAOYSA-N 0 3 287.366 3.757 20 30 CHEDHN C=Cc1ccc(CCNCc2ccc(C#N)cc2F)cc1 ZINC000462906636 331334682 /nfs/dbraw/zinc/33/46/82/331334682.db2.gz MUQJOZMPUXXRSU-UHFFFAOYSA-N 0 3 280.346 3.673 20 30 CHEDHN CCCOc1cc(C)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000463239318 331343684 /nfs/dbraw/zinc/34/36/84/331343684.db2.gz XSAFDTACWGCSIK-WBVHZDCISA-N 0 3 286.419 3.956 20 30 CHEDHN CC(C)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000463296393 331345661 /nfs/dbraw/zinc/34/56/61/331345661.db2.gz TYJNSJWCWLYPCP-RDJZCZTQSA-N 0 3 256.393 3.982 20 30 CHEDHN C=C(C)CN(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000464775612 331367272 /nfs/dbraw/zinc/36/72/72/331367272.db2.gz MSRSMSSXPFGASB-GOSISDBHSA-N 0 3 273.420 3.595 20 30 CHEDHN C=CCCCCNCc1ccc(OC)cc1OC(F)F ZINC000472072977 331528635 /nfs/dbraw/zinc/52/86/35/331528635.db2.gz KDGSFZWKYGETLT-UHFFFAOYSA-N 0 3 285.334 3.743 20 30 CHEDHN C=CCC[C@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000472656223 331540798 /nfs/dbraw/zinc/54/07/98/331540798.db2.gz YPRMAUGPVIWGEW-AWEZNQCLSA-N 0 3 299.336 3.611 20 30 CHEDHN COc1cccc([C@H](C)NCc2ccc(C#N)c(C)c2)c1 ZINC000488147677 331991923 /nfs/dbraw/zinc/99/19/23/331991923.db2.gz JVKQWTABRFRYLS-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(F)cc1C#N ZINC000489580023 332060253 /nfs/dbraw/zinc/06/02/53/332060253.db2.gz UESQISHCFAKIOV-WBMJQRKESA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(CC)CN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490073191 332080003 /nfs/dbraw/zinc/08/00/03/332080003.db2.gz QKWCGEFCTGMZTO-HNNXBMFYSA-N 0 3 267.800 3.926 20 30 CHEDHN C=CCC(C)(C)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000490100468 332081286 /nfs/dbraw/zinc/08/12/86/332081286.db2.gz IKFXIHOENIUHKG-INIZCTEOSA-N 0 3 292.467 3.502 20 30 CHEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000491338315 332192609 /nfs/dbraw/zinc/19/26/09/332192609.db2.gz HUCMSCAKRBXDIG-HUUCEWRRSA-N 0 3 286.419 3.529 20 30 CHEDHN CC[C@H](C)[C@H](C)NCc1cc(C#N)ccc1Br ZINC000491598434 332242173 /nfs/dbraw/zinc/24/21/73/332242173.db2.gz GSPZRBYOOHXIND-QWRGUYRKSA-N 0 3 295.224 3.845 20 30 CHEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000500502918 332611538 /nfs/dbraw/zinc/61/15/38/332611538.db2.gz XOKWDPOBYLAUMT-HUUCEWRRSA-N 0 3 297.345 3.501 20 30 CHEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000503586151 332693596 /nfs/dbraw/zinc/69/35/96/332693596.db2.gz IEGQQNNSLMUFFG-GFCCVEGCSA-N 0 3 286.325 3.730 20 30 CHEDHN Cc1cc(C)cc(OCCCN2CCC(C)(C#N)CC2)c1 ZINC000506052310 332760910 /nfs/dbraw/zinc/76/09/10/332760910.db2.gz SUPFFVRRJGEHMQ-UHFFFAOYSA-N 0 3 286.419 3.698 20 30 CHEDHN COCc1ccccc1/C=C(/C)CN1CCC(C)(C#N)CC1 ZINC000512333518 332963585 /nfs/dbraw/zinc/96/35/85/332963585.db2.gz GTMVSUQEVRXUCC-VBKFSLOCSA-N 0 3 298.430 3.862 20 30 CHEDHN CCCOc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000404855153 333029759 /nfs/dbraw/zinc/02/97/59/333029759.db2.gz SQIUFHPGZXAVSC-UHFFFAOYSA-N 0 3 298.361 3.776 20 30 CHEDHN C=CCCCCNCc1sccc1Br ZINC000308483500 333032443 /nfs/dbraw/zinc/03/24/43/333032443.db2.gz NJGMNIZCLRMKSF-UHFFFAOYSA-N 0 3 274.227 3.957 20 30 CHEDHN C=CCC[C@@H](NCCSCC=C)c1ccco1 ZINC000513690556 333032760 /nfs/dbraw/zinc/03/27/60/333032760.db2.gz KRCDCRDUIUSHDW-CYBMUJFWSA-N 0 3 251.395 3.796 20 30 CHEDHN CC[C@@H](C)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177276546 333056620 /nfs/dbraw/zinc/05/66/20/333056620.db2.gz XFANCXGETYSLII-GFCCVEGCSA-N 0 3 269.310 3.787 20 30 CHEDHN CC[C@H](C)CN(C)Cc1ccc(Br)cc1C#N ZINC000310324251 333057107 /nfs/dbraw/zinc/05/71/07/333057107.db2.gz YHVKVYVFDGGAPH-NSHDSACASA-N 0 3 295.224 3.799 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000185406168 333140117 /nfs/dbraw/zinc/14/01/17/333140117.db2.gz QOWRWVUTPYWNPG-WBVHZDCISA-N 0 3 298.430 3.600 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cn2)CC[C@H]1c1ccccc1 ZINC000521894589 333196469 /nfs/dbraw/zinc/19/64/69/333196469.db2.gz UAVCPUXAJAXMCX-HNAYVOBHSA-N 0 3 291.398 3.579 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H]3CCCC[C@@H]32)c1F ZINC000223517652 333208723 /nfs/dbraw/zinc/20/87/23/333208723.db2.gz SGFIPONUHRUZBK-CJNGLKHVSA-N 0 3 272.367 3.852 20 30 CHEDHN COc1ccc([C@H]2CCN(CC#Cc3ccccc3)C2)cc1 ZINC000191976742 333228010 /nfs/dbraw/zinc/22/80/10/333228010.db2.gz WKPFSWLUTYZNIP-IBGZPJMESA-N 0 3 291.394 3.536 20 30 CHEDHN C[C@@H]1CCC[C@H](CNCc2ccc(C#N)cc2F)C1 ZINC000227596547 333286457 /nfs/dbraw/zinc/28/64/57/333286457.db2.gz FCVNIJCGHFCUMY-OCCSQVGLSA-N 0 3 260.356 3.613 20 30 CHEDHN N#Cc1cccc(CNC[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000229274347 333302947 /nfs/dbraw/zinc/30/29/47/333302947.db2.gz GZZNWCGQSUFCCG-KRWDZBQOSA-N 0 3 284.403 3.530 20 30 CHEDHN N#Cc1cc(CN2CCC3(CCCC3)CC2)ccc1F ZINC000229750868 333309133 /nfs/dbraw/zinc/30/91/33/333309133.db2.gz DYZPFINEQUSPNH-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000230141932 333314836 /nfs/dbraw/zinc/31/48/36/333314836.db2.gz UVPAECPHRIDKFV-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN CC(C)[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000232314258 333335706 /nfs/dbraw/zinc/33/57/06/333335706.db2.gz ZFWPHKPEJPRXMV-QGZVFWFLSA-N 0 3 285.366 3.523 20 30 CHEDHN N#Cc1ccccc1OCCN1CCC[C@@]2(CC=CCC2)C1 ZINC000303520278 333343260 /nfs/dbraw/zinc/34/32/60/333343260.db2.gz CWSYOQJRQMGSGL-IBGZPJMESA-N 0 3 296.414 3.759 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000233364826 333351787 /nfs/dbraw/zinc/35/17/87/333351787.db2.gz MRQKGIMWXJVUMQ-INIZCTEOSA-N 0 3 272.392 3.721 20 30 CHEDHN CC(C)Cc1ccc([C@H](NC(=O)C(C)C#N)C2CC2)cc1 ZINC000524071039 333352718 /nfs/dbraw/zinc/35/27/18/333352718.db2.gz XPEMEDYOYZRNJB-DYVFJYSZSA-N 0 3 284.403 3.612 20 30 CHEDHN COc1cc(CN(C)Cc2ccc(C)cc2)ccc1C#N ZINC000234927757 333363181 /nfs/dbraw/zinc/36/31/81/333363181.db2.gz OCYHVMCMALWEQK-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(C)c(F)c2)cc1 ZINC000237748601 333381232 /nfs/dbraw/zinc/38/12/32/333381232.db2.gz YLASJLBJVFNLMJ-UHFFFAOYSA-N 0 3 285.362 3.989 20 30 CHEDHN C=CCOc1ccccc1CNCCCOc1ccccc1 ZINC000315674881 333382918 /nfs/dbraw/zinc/38/29/18/333382918.db2.gz WXQMDWLKTHGIER-UHFFFAOYSA-N 0 3 297.398 3.810 20 30 CHEDHN C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000173925091 335143784 /nfs/dbraw/zinc/14/37/84/335143784.db2.gz LOFIIFKBZXZSDZ-RVKKMQEKSA-N 0 3 286.419 3.804 20 30 CHEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCCC(C)(C)C#N ZINC000538691440 333611926 /nfs/dbraw/zinc/61/19/26/333611926.db2.gz OOQQPUVEJVBEOS-DOMZBBRYSA-N 0 3 294.826 3.945 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(C)c(OC)c2)cc1 ZINC000065977150 333613490 /nfs/dbraw/zinc/61/34/90/333613490.db2.gz DXXLCWJPQKNPQU-UHFFFAOYSA-N 0 3 297.398 3.858 20 30 CHEDHN C=C(C)COCCN[C@H]1CC(C)(C)c2ccccc21 ZINC000539063464 333653940 /nfs/dbraw/zinc/65/39/40/333653940.db2.gz GIULWSDVLBWLEX-INIZCTEOSA-N 0 3 259.393 3.591 20 30 CHEDHN CCC[C@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000174343447 335153065 /nfs/dbraw/zinc/15/30/65/335153065.db2.gz FVYXHFAQCWKMCA-OAHLLOKOSA-N 0 3 268.360 3.652 20 30 CHEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(Cl)sc1Cl ZINC000539298245 333664836 /nfs/dbraw/zinc/66/48/36/333664836.db2.gz QMMQVYAUFOLEST-BDAKNGLRSA-N 0 3 294.247 3.890 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 ZINC000539418814 333670554 /nfs/dbraw/zinc/67/05/54/333670554.db2.gz MNVHKQXYDBNHAJ-BFHYXJOUSA-N 0 3 258.365 3.600 20 30 CHEDHN C=CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543052856 333854052 /nfs/dbraw/zinc/85/40/52/333854052.db2.gz VKWNUGOQUWGIDB-INIZCTEOSA-N 0 3 272.779 3.794 20 30 CHEDHN N#Cc1cccc(CNC/C=C\c2ccc(F)cc2F)c1 ZINC000543631460 333886417 /nfs/dbraw/zinc/88/64/17/333886417.db2.gz MTMQYWSHWUJKRU-DJWKRKHSSA-N 0 3 284.309 3.639 20 30 CHEDHN N#CCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000543781978 333898411 /nfs/dbraw/zinc/89/84/11/333898411.db2.gz RKNUXCINDUMVGA-UHFFFAOYSA-N 0 3 297.427 3.936 20 30 CHEDHN Cc1cccc2c1ncc(C)c2N1CCC(CC#N)CC1 ZINC000545202316 333968587 /nfs/dbraw/zinc/96/85/87/333968587.db2.gz KPFMDTKMHZFNHY-UHFFFAOYSA-N 0 3 279.387 3.982 20 30 CHEDHN C=CC[C@H](CO)N[C@@H](C)c1oc2ccc(C)cc2c1CC ZINC000546685958 334045777 /nfs/dbraw/zinc/04/57/77/334045777.db2.gz FTUGZTOHTHYVLU-UONOGXRCSA-N 0 3 287.403 3.891 20 30 CHEDHN CC(C)(CCc1ccccc1)NCc1ccc(C#N)o1 ZINC000135182404 334119137 /nfs/dbraw/zinc/11/91/37/334119137.db2.gz GYFJFYGUWMBEJA-UHFFFAOYSA-N 0 3 268.360 3.652 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1ccc2ncsc2c1 ZINC000547947684 334130702 /nfs/dbraw/zinc/13/07/02/334130702.db2.gz NBXVDJZXFWCOBL-NSHDSACASA-N 0 3 273.405 3.887 20 30 CHEDHN C[C@H](Cc1ccccc1F)NC1(c2cccc(C#N)c2)CC1 ZINC000551813964 334262883 /nfs/dbraw/zinc/26/28/83/334262883.db2.gz ZBTDCXRZBPCBNC-CQSZACIVSA-N 0 3 294.373 3.907 20 30 CHEDHN C=CCC[C@H](NC[C@@]1(C)CCCC[C@H]1O)c1ccco1 ZINC000552044384 334280888 /nfs/dbraw/zinc/28/08/88/334280888.db2.gz AJNHDPPBIDMGJV-USXIJHARSA-N 0 3 277.408 3.818 20 30 CHEDHN C=CCC[C@H](NC[C@@]1(C)CCCC[C@@H]1O)c1ccco1 ZINC000552044382 334280939 /nfs/dbraw/zinc/28/09/39/334280939.db2.gz AJNHDPPBIDMGJV-BHYGNILZSA-N 0 3 277.408 3.818 20 30 CHEDHN C=CCC[C@@H](N[C@H](CO)Cc1ccc(C)cc1)c1ccco1 ZINC000552283881 334313000 /nfs/dbraw/zinc/31/30/00/334313000.db2.gz LSCLDPGSJAGTGA-ZWKOTPCHSA-N 0 3 299.414 3.789 20 30 CHEDHN C[C@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@H]1c1ccccc1 ZINC000248802378 334317828 /nfs/dbraw/zinc/31/78/28/334317828.db2.gz AHRXFFJKCIJCTJ-HNAYVOBHSA-N 0 3 293.414 3.522 20 30 CHEDHN C[C@@H]1CCN(CC#Cc2ccc(F)cc2)CC12CCC2 ZINC000552437516 334327616 /nfs/dbraw/zinc/32/76/16/334327616.db2.gz HXYRZJRFUBKKGD-OAHLLOKOSA-N 0 3 271.379 3.689 20 30 CHEDHN C[C@H](CC1CC1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180694 334358400 /nfs/dbraw/zinc/35/84/00/334358400.db2.gz LMUVQRJNRCITDB-GFCCVEGCSA-N 0 3 281.321 3.835 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000090450735 334361189 /nfs/dbraw/zinc/36/11/89/334361189.db2.gz KNWOMIXQDQPNMS-ZDUSSCGKSA-N 0 3 299.361 3.840 20 30 CHEDHN C=CCCOCCN[C@H](C)c1cc(C)ccc1OC(F)F ZINC000090883452 334369106 /nfs/dbraw/zinc/36/91/06/334369106.db2.gz FAMDOLHEQYPRHE-CYBMUJFWSA-N 0 3 299.361 3.840 20 30 CHEDHN CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC000153745416 334678499 /nfs/dbraw/zinc/67/84/99/334678499.db2.gz SFPPOVKMCAKRAE-SJKOYZFVSA-N 0 3 296.418 3.711 20 30 CHEDHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000268811571 334716701 /nfs/dbraw/zinc/71/67/01/334716701.db2.gz OBEYGNFIGLLSHI-YJYMSZOUSA-N 0 3 292.382 3.905 20 30 CHEDHN CC[C@H](NCCOc1cccc(C)c1)c1ccc(C#N)cc1 ZINC000568590326 334831681 /nfs/dbraw/zinc/83/16/81/334831681.db2.gz QOHQZJONQMZWNR-IBGZPJMESA-N 0 3 294.398 3.986 20 30 CHEDHN CN(Cc1ccc(F)cc1)Cc1ccc(CC#N)cc1 ZINC000342698378 335185910 /nfs/dbraw/zinc/18/59/10/335185910.db2.gz TVBUQFLCZSHEFK-UHFFFAOYSA-N 0 3 268.335 3.524 20 30 CHEDHN C=CCOc1ccc(CN(C)[C@H]2C[C@@H](OC)C2)cc1Cl ZINC000576742299 335241982 /nfs/dbraw/zinc/24/19/82/335241982.db2.gz IGVQDOYPJAGAOB-OKILXGFUSA-N 0 3 295.810 3.514 20 30 CHEDHN C[C@H]1C[C@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 ZINC000576885492 335260645 /nfs/dbraw/zinc/26/06/45/335260645.db2.gz QDASSHASIUVJTG-KBXCAEBGSA-N 0 3 277.371 3.536 20 30 CHEDHN C[C@@H](C#N)CNCCCCc1cccc(C(F)(F)F)c1 ZINC000192719683 335297158 /nfs/dbraw/zinc/29/71/58/335297158.db2.gz MVFVGMLIOGAUFW-LBPRGKRZSA-N 0 3 284.325 3.777 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000192769999 335302180 /nfs/dbraw/zinc/30/21/80/335302180.db2.gz GPTYOYFWBAMYGC-HZUKXOBISA-N 0 3 274.795 3.999 20 30 CHEDHN COc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(C)c1 ZINC000577169143 335313606 /nfs/dbraw/zinc/31/36/06/335313606.db2.gz OXZOKUJHLUVDSW-LJQANCHMSA-N 0 3 292.382 3.652 20 30 CHEDHN FC(F)(F)c1ccc(C#CCNC2CCCC2)cc1 ZINC000177715118 335381457 /nfs/dbraw/zinc/38/14/57/335381457.db2.gz NZVNOLKMCFIQAI-UHFFFAOYSA-N 0 3 267.294 3.589 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000577815971 335404451 /nfs/dbraw/zinc/40/44/51/335404451.db2.gz DXCKUVAQYIQLLO-KYOSRNDESA-N 0 3 262.784 3.725 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000177912365 335405596 /nfs/dbraw/zinc/40/55/96/335405596.db2.gz HKUCLXVAUCVUOH-CYBMUJFWSA-N 0 3 263.381 3.711 20 30 CHEDHN N#CCCCCNCc1cnc(C2CCCC2)s1 ZINC000178621866 335441848 /nfs/dbraw/zinc/44/18/48/335441848.db2.gz XGMDXHSQUYYSER-UHFFFAOYSA-N 0 3 263.410 3.584 20 30 CHEDHN C=CCN[C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000180338755 335573472 /nfs/dbraw/zinc/57/34/72/335573472.db2.gz UDQTXLLUPOWNNK-CYBMUJFWSA-N 0 3 263.381 3.711 20 30 CHEDHN C=CCN(C)[C@H](C)c1cccc(Br)c1 ZINC000194971843 336041611 /nfs/dbraw/zinc/04/16/11/336041611.db2.gz MMOWCEFOLAQXAN-SNVBAGLBSA-N 0 3 254.171 3.628 20 30 CHEDHN CC#CCCNCc1ccc(Br)cc1SC ZINC000381564047 336068429 /nfs/dbraw/zinc/06/84/29/336068429.db2.gz SLFZFAXILAGKCT-UHFFFAOYSA-N 0 3 298.249 3.674 20 30 CHEDHN C=C(CN[C@H](C)c1cccc(O)c1)c1ccccc1 ZINC000383487918 336109901 /nfs/dbraw/zinc/10/99/01/336109901.db2.gz RJMXVXRJZFYIGN-CQSZACIVSA-N 0 3 253.345 3.756 20 30 CHEDHN COc1cccc2c(CN3CCC(C#N)CC3)cccc12 ZINC000336226061 533833927 /nfs/dbraw/zinc/83/39/27/533833927.db2.gz KYKIXUSOIJAFOQ-UHFFFAOYSA-N 0 3 280.371 3.584 20 30 CHEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000334779368 533954259 /nfs/dbraw/zinc/95/42/59/533954259.db2.gz ZQWUKXOCBBGWRL-BZNIZROVSA-N 0 3 268.385 3.958 20 30 CHEDHN C=CCC[C@@H](C)N[C@@H](C)c1ccc(Br)cn1 ZINC000279650536 518709872 /nfs/dbraw/zinc/70/98/72/518709872.db2.gz FADXBGPPEZRGQE-MNOVXSKESA-N 0 3 283.213 3.849 20 30 CHEDHN CCCOCc1ccccc1CNCc1cccc(C#N)c1 ZINC000069747421 520258726 /nfs/dbraw/zinc/25/87/26/520258726.db2.gz YGJHNTSPSFUFEH-UHFFFAOYSA-N 0 3 294.398 3.775 20 30 CHEDHN CCCOc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000276978149 520425773 /nfs/dbraw/zinc/42/57/73/520425773.db2.gz RWLBLESSUMEXDA-AWEZNQCLSA-N 0 3 297.402 3.536 20 30 CHEDHN Cc1nc([C@@H](C)NC2CCC(C)(C#N)CC2)cs1 ZINC000336219591 534541852 /nfs/dbraw/zinc/54/18/52/534541852.db2.gz LWRDCHROVCFURE-PWQPVHBWSA-N 0 3 263.410 3.575 20 30 CHEDHN COCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000338362640 521977081 /nfs/dbraw/zinc/97/70/81/521977081.db2.gz RMFIETFDFAUZAU-KXBFYZLASA-N 0 3 294.398 3.987 20 30 CHEDHN N#CCc1ccc(CN2CCC=C(c3ccco3)C2)cc1 ZINC000352571226 534717725 /nfs/dbraw/zinc/71/77/25/534717725.db2.gz SAWZQDABLZGIAJ-UHFFFAOYSA-N 0 3 278.355 3.635 20 30 CHEDHN CO[C@H](c1ccccc1F)[C@H](C)NCc1ccc(C#N)cc1 ZINC000272078514 523958281 /nfs/dbraw/zinc/95/82/81/523958281.db2.gz QRMFTOVUKJFSLQ-UGSOOPFHSA-N 0 3 298.361 3.563 20 30 CHEDHN C[C@H]1CC[C@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC000359311344 524430473 /nfs/dbraw/zinc/43/04/73/524430473.db2.gz SWGPAZWHJSBOEU-WFASDCNBSA-N 0 3 260.406 3.632 20 30 CHEDHN Cc1cc2cc(CNCc3ccc(C#N)s3)ccc2[nH]1 ZINC000353147220 525639959 /nfs/dbraw/zinc/63/99/59/525639959.db2.gz YMJNNCLGOLEOTR-UHFFFAOYSA-N 0 3 281.384 3.699 20 30 CHEDHN COc1cccc(CN(C)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000299455058 525915943 /nfs/dbraw/zinc/91/59/43/525915943.db2.gz XRTTZHJYIFGIEE-CQSZACIVSA-N 0 3 280.371 3.760 20 30 CHEDHN COc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000275321859 525917216 /nfs/dbraw/zinc/91/72/16/525917216.db2.gz TWQIAQMUWDJKTO-AWEZNQCLSA-N 0 3 280.371 3.760 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278554542 526073950 /nfs/dbraw/zinc/07/39/50/526073950.db2.gz BCMNAZXJZFGGJX-YPMHNXCESA-N 0 3 282.309 3.894 20 30 CHEDHN C[C@@H](c1ccccc1)N(Cc1cc(C#N)n(C)c1)C1CC1 ZINC000276764292 526088294 /nfs/dbraw/zinc/08/82/94/526088294.db2.gz NKCJOYJVCBLTEP-AWEZNQCLSA-N 0 3 279.387 3.622 20 30 CHEDHN C[C@H](c1ccccc1)N(Cc1cc(C#N)n(C)c1)C1CC1 ZINC000276764301 526093941 /nfs/dbraw/zinc/09/39/41/526093941.db2.gz NKCJOYJVCBLTEP-CQSZACIVSA-N 0 3 279.387 3.622 20 30 CHEDHN C=C(C)CCN[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000351729631 526455995 /nfs/dbraw/zinc/45/59/95/526455995.db2.gz LDTNQAJERKXVRB-INIZCTEOSA-N 0 3 275.392 3.625 20 30 CHEDHN C=CCOCCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000347964860 526748846 /nfs/dbraw/zinc/74/88/46/526748846.db2.gz LMRBEPVDEQPJBA-RHSMWYFYSA-N 0 3 289.419 3.960 20 30 CHEDHN C=CC[C@H](CO)CN[C@H](CCC(C)C)c1ccoc1 ZINC000353625580 527190152 /nfs/dbraw/zinc/19/01/52/527190152.db2.gz VYUDIBMQDPCMSZ-GOEBONIOSA-N 0 3 265.397 3.531 20 30 CHEDHN C=CCC[C@H](NCCc1nc(C)oc1C)c1ccco1 ZINC000353399825 527484015 /nfs/dbraw/zinc/48/40/15/527484015.db2.gz DOAGGPHWHFEXSZ-HNNXBMFYSA-N 0 3 274.364 3.724 20 30 CHEDHN CC[C@@H](c1ccccc1OC)N(C)CCCSCC#N ZINC000347551003 529258766 /nfs/dbraw/zinc/25/87/66/529258766.db2.gz APCNWHFGEMLEQQ-HNNXBMFYSA-N 0 3 292.448 3.725 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819735019 607088695 /nfs/dbraw/zinc/08/86/95/607088695.db2.gz YQXGRVMDDHGDKB-CZUORRHYSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCC[C@@H](CCC)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819735019 607088697 /nfs/dbraw/zinc/08/86/97/607088697.db2.gz YQXGRVMDDHGDKB-CZUORRHYSA-N 0 3 299.422 3.652 20 30 CHEDHN C=C(C)CN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710567 1117900005 /nfs/dbraw/zinc/90/00/05/1117900005.db2.gz VDFSQMQCSJMBMN-SNVBAGLBSA-N 0 3 263.772 3.785 20 30 CHEDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C#N)cc1)CCC2 ZINC000111311204 1125482277 /nfs/dbraw/zinc/48/22/77/1125482277.db2.gz JQAGMXJUMZWTBS-MRXNPFEDSA-N 0 3 297.427 3.833 20 30 CHEDHN CC[C@@H]1CC[C@@H](C)N1Cc1cc(Cl)cc(C#N)c1 ZINC001168580159 1118271136 /nfs/dbraw/zinc/27/11/36/1118271136.db2.gz MHJZRZVRWGIUDQ-IAQYHMDHSA-N 0 3 262.784 3.975 20 30 CHEDHN C=CCOc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000535824120 1118901843 /nfs/dbraw/zinc/90/18/43/1118901843.db2.gz SSZVFCFZNUKWAA-OKILXGFUSA-N 0 3 277.433 3.577 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2nc(C)c(C)s2)C1 ZINC000661380988 1120760226 /nfs/dbraw/zinc/76/02/26/1120760226.db2.gz SGXTWABGBDVZCX-ZDUSSCGKSA-N 0 3 250.411 3.548 20 30 CHEDHN N#CCc1ccc(CNCc2cc(Cl)cs2)cc1 ZINC001179028771 1121845195 /nfs/dbraw/zinc/84/51/95/1121845195.db2.gz YTYDTQAQVMCXRN-UHFFFAOYSA-N 0 3 276.792 3.757 20 30 CHEDHN C#CCCCCCCN[C@H](C)c1c(F)cncc1F ZINC000877521170 1125039094 /nfs/dbraw/zinc/03/90/94/1125039094.db2.gz RWOTZARQSYHWSU-GFCCVEGCSA-N 0 3 266.335 3.594 20 30 CHEDHN N#Cc1ccc(CN2CCCC3(CCCCC3)C2)o1 ZINC000125705399 1125450939 /nfs/dbraw/zinc/45/09/39/1125450939.db2.gz UGJFUVIVRYUTNH-UHFFFAOYSA-N 0 3 258.365 3.698 20 30 CHEDHN N#CCC1CCN(Cc2ccccc2C(F)F)CC1 ZINC001139799862 1131637402 /nfs/dbraw/zinc/63/74/02/1131637402.db2.gz YGBWJBTXDZDSSX-UHFFFAOYSA-N 0 3 264.319 3.750 20 30 CHEDHN N#CCCCCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133231547 1125509278 /nfs/dbraw/zinc/50/92/78/1125509278.db2.gz OJEMRIBZDMTLQQ-AWEZNQCLSA-N 0 3 292.810 3.877 20 30 CHEDHN CC(=NN[C@H](C)c1ccccc1)c1c(C)cc(N)cc1C ZINC000884421251 1125563593 /nfs/dbraw/zinc/56/35/93/1125563593.db2.gz PNJXEPKUSNQELA-CQSZACIVSA-N 0 3 281.403 3.960 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC000533445658 1125609477 /nfs/dbraw/zinc/60/94/77/1125609477.db2.gz AQDAADDKNHZZNW-RDJZCZTQSA-N 0 3 272.367 3.756 20 30 CHEDHN N#CCC[C@H](NCc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000533497258 1125609822 /nfs/dbraw/zinc/60/98/22/1125609822.db2.gz GMEXYLJFISHXDX-INIZCTEOSA-N 0 3 290.370 3.698 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000248816544 1125674279 /nfs/dbraw/zinc/67/42/79/1125674279.db2.gz KZEBNSZANQZIGX-TYNCELHUSA-N 0 3 290.794 3.836 20 30 CHEDHN N#CC1(CCN2CCC[C@H](c3ncccn3)C2)CCCCC1 ZINC000886688159 1125709561 /nfs/dbraw/zinc/70/95/61/1125709561.db2.gz LPPLMJCIENPZBK-INIZCTEOSA-N 0 3 298.434 3.520 20 30 CHEDHN C=CCC1(O)CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000886776463 1125716963 /nfs/dbraw/zinc/71/69/63/1125716963.db2.gz HGPPHUGABCWING-ARJAWSKDSA-N 0 3 291.822 3.756 20 30 CHEDHN C[C@@H](NCCC(C)(C)C#N)c1ccccc1Cl ZINC000087591707 1125731783 /nfs/dbraw/zinc/73/17/83/1125731783.db2.gz LPIUOZCQCWPFIQ-LLVKDONJSA-N 0 3 250.773 3.930 20 30 CHEDHN C=CCC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1 ZINC000090580666 1125744308 /nfs/dbraw/zinc/74/43/08/1125744308.db2.gz JMNKDFGYDNHDRI-YOEHRIQHSA-N 0 3 269.392 3.778 20 30 CHEDHN C=CCCCCN(C)Cc1cc(C)cnc1SC ZINC001238718385 1131237343 /nfs/dbraw/zinc/23/73/43/1131237343.db2.gz MXKVYEKRNYISQF-UHFFFAOYSA-N 0 3 264.438 3.900 20 30 CHEDHN C=C(C)COCCNCc1cc(F)cc(C(F)(F)F)c1 ZINC000158118127 1126746764 /nfs/dbraw/zinc/74/67/64/1126746764.db2.gz VUDMEPUBODYFCC-UHFFFAOYSA-N 0 3 291.288 3.527 20 30 CHEDHN C=CCC[C@H](NCC(=O)Nc1ccccc1)c1ccccc1 ZINC000159943053 1126759547 /nfs/dbraw/zinc/75/95/47/1126759547.db2.gz GSWAGNYCOFHOMG-SFHVURJKSA-N 0 3 294.398 3.922 20 30 CHEDHN C[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000429573277 1126777242 /nfs/dbraw/zinc/77/72/42/1126777242.db2.gz YTSAYGHJTQMUBD-RISCZKNCSA-N 0 3 262.784 3.832 20 30 CHEDHN C=CCNC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000078321484 1126790022 /nfs/dbraw/zinc/79/00/22/1126790022.db2.gz SAVQUSFUOZMJAS-UHFFFAOYSA-N 0 3 283.371 3.569 20 30 CHEDHN CCS[C@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000483950644 1126806401 /nfs/dbraw/zinc/80/64/01/1126806401.db2.gz DYPAHHDRVARZGS-KRWDZBQOSA-N 0 3 273.445 3.646 20 30 CHEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000181806446 1126861427 /nfs/dbraw/zinc/86/14/27/1126861427.db2.gz ZUWRDMRULVVRTD-DYVFJYSZSA-N 0 3 265.360 3.755 20 30 CHEDHN Cn1cc(CN[C@H]2CCC(C)(C)c3ccccc32)cc1C#N ZINC000190958712 1126946268 /nfs/dbraw/zinc/94/62/68/1126946268.db2.gz LYEPULYAWRHYSB-SFHVURJKSA-N 0 3 293.414 3.799 20 30 CHEDHN CC(C)c1ccc2c(c1)[C@@H](NCc1cc(C#N)n(C)c1)CC2 ZINC000191618474 1126953657 /nfs/dbraw/zinc/95/36/57/1126953657.db2.gz DTGWFTHRFBLKQO-IBGZPJMESA-N 0 3 293.414 3.797 20 30 CHEDHN Cc1cc(C)c2c(c1)CN(Cc1ccc(CC#N)cc1)CC2 ZINC000485860717 1126958293 /nfs/dbraw/zinc/95/82/93/1126958293.db2.gz DHTHORRACAAPEN-UHFFFAOYSA-N 0 3 290.410 3.928 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CCCNc3ccccc32)c1 ZINC000192653492 1126962921 /nfs/dbraw/zinc/96/29/21/1126962921.db2.gz NVFURTJAEHTBII-GOSISDBHSA-N 0 3 277.371 3.595 20 30 CHEDHN C=CCC[C@@H](N[C@H](C)c1ccnn1C)c1ccccc1 ZINC000193034368 1126965445 /nfs/dbraw/zinc/96/54/45/1126965445.db2.gz OZMJLRXJZIVAHZ-GDBMZVCRSA-N 0 3 269.392 3.778 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000924827537 1127042572 /nfs/dbraw/zinc/04/25/72/1127042572.db2.gz UGURCZCOIKNYMO-IUODEOHRSA-N 0 3 290.382 3.957 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000924827539 1127043045 /nfs/dbraw/zinc/04/30/45/1127043045.db2.gz UGURCZCOIKNYMO-SWLSCSKDSA-N 0 3 290.382 3.957 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1CCc2cc(N)ccc21 ZINC000569941096 1127053252 /nfs/dbraw/zinc/05/32/52/1127053252.db2.gz IOUIEIBMGPEIFN-GOSISDBHSA-N 0 3 294.398 3.611 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)c1cccnc1 ZINC000270654058 1127059343 /nfs/dbraw/zinc/05/93/43/1127059343.db2.gz MNPHUWJYMVAAGV-CQSZACIVSA-N 0 3 265.360 3.536 20 30 CHEDHN C=C(CC)CN[C@@H](COC)c1ccc(Cl)cc1 ZINC000488801003 1127082931 /nfs/dbraw/zinc/08/29/31/1127082931.db2.gz UGIMNHYJYXSCAA-AWEZNQCLSA-N 0 3 253.773 3.583 20 30 CHEDHN C=CCCC[C@H](N)C(=O)Nc1c(C)cccc1C(C)C ZINC000911937856 1127090635 /nfs/dbraw/zinc/09/06/35/1127090635.db2.gz YVOSCQCUHVGMDE-HNNXBMFYSA-N 0 3 274.408 3.741 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000349338774 1127148342 /nfs/dbraw/zinc/14/83/42/1127148342.db2.gz ATIPUEOMVCDWMW-OSAQELSMSA-N 0 3 290.794 3.836 20 30 CHEDHN CCC[C@@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571689638 1127164818 /nfs/dbraw/zinc/16/48/18/1127164818.db2.gz YMIDAACGCVTXGU-OAHLLOKOSA-N 0 3 287.363 3.621 20 30 CHEDHN C=C(Cl)CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000717976902 1127170125 /nfs/dbraw/zinc/17/01/25/1127170125.db2.gz XWTJJYANSVYSPO-CABCVRRESA-N 0 3 279.811 3.712 20 30 CHEDHN COc1ccc(C#N)cc1CN(C)CCc1ccccc1C ZINC001307795476 1127178617 /nfs/dbraw/zinc/17/86/17/1127178617.db2.gz ZKBVJHNISZXGJI-UHFFFAOYSA-N 0 3 294.398 3.550 20 30 CHEDHN CCCCN(CCC)Cc1cc(C#N)c(F)cc1F ZINC001237525208 1131111008 /nfs/dbraw/zinc/11/10/08/1131111008.db2.gz BFVUZEXBKRSMLL-UHFFFAOYSA-N 0 3 266.335 3.849 20 30 CHEDHN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(C)c1O ZINC000589170006 1127214000 /nfs/dbraw/zinc/21/40/00/1127214000.db2.gz BGAXMPTWGIHPDU-CQSZACIVSA-N 0 3 280.371 3.732 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000589498400 1127223687 /nfs/dbraw/zinc/22/36/87/1127223687.db2.gz MCSUUHRNPPJOOI-HNNXBMFYSA-N 0 3 294.320 3.951 20 30 CHEDHN C=C(CC)CN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352422536 1127230965 /nfs/dbraw/zinc/23/09/65/1127230965.db2.gz JDPVVALOLLRBPV-UHFFFAOYSA-N 0 3 257.377 3.509 20 30 CHEDHN CCS[C@@H]1CC[C@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000352892969 1127248908 /nfs/dbraw/zinc/24/89/08/1127248908.db2.gz LTYRZGFJSQTNGX-LSDHHAIUSA-N 0 3 292.423 3.803 20 30 CHEDHN C=C(C)CN(CCCCCF)Cc1cnn(C(C)C)c1 ZINC000352959637 1127254259 /nfs/dbraw/zinc/25/42/59/1127254259.db2.gz ZPMQSHRLBZGCCP-UHFFFAOYSA-N 0 3 281.419 3.982 20 30 CHEDHN CCn1cc([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000590762824 1127270539 /nfs/dbraw/zinc/27/05/39/1127270539.db2.gz WYODGVCDZGACRC-AWEZNQCLSA-N 0 3 296.418 3.555 20 30 CHEDHN COc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353896184 1127276353 /nfs/dbraw/zinc/27/63/53/1127276353.db2.gz DZPYLBSSJCOPOD-KRWDZBQOSA-N 0 3 295.386 3.615 20 30 CHEDHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238193646 1131178874 /nfs/dbraw/zinc/17/88/74/1131178874.db2.gz DYXMXSLUGCZWGF-NWDGAFQWSA-N 0 3 262.784 3.832 20 30 CHEDHN COc1cc(C)ccc1[C@H](C)NCC(C)(C)CC#N ZINC000591243107 1127292324 /nfs/dbraw/zinc/29/23/24/1127292324.db2.gz WCHDVLZPXDRZRY-ZDUSSCGKSA-N 0 3 260.381 3.594 20 30 CHEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2ccncc2C#N)C1 ZINC000592069297 1127334517 /nfs/dbraw/zinc/33/45/17/1127334517.db2.gz OJVSNYKFTNOPAD-NVXWUHKLSA-N 0 3 291.398 3.640 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1Cc1ccncc1C#N ZINC000592127254 1127337467 /nfs/dbraw/zinc/33/74/67/1127337467.db2.gz YKAIQWBFLBPDEN-VCBZYWHSSA-N 0 3 291.398 3.720 20 30 CHEDHN CC(C)C[C@@H](NCc1cccc(C#N)c1)c1ccncc1 ZINC000592386125 1127346392 /nfs/dbraw/zinc/34/63/92/1127346392.db2.gz OEHQAONDNZRASK-GOSISDBHSA-N 0 3 279.387 3.830 20 30 CHEDHN C#CC[C@@H](NCc1cc(C)c(O)c(C)c1)c1ccccc1 ZINC000290360954 1127390130 /nfs/dbraw/zinc/39/01/30/1127390130.db2.gz MSBLQPJKQJMUHU-GOSISDBHSA-N 0 3 279.383 3.863 20 30 CHEDHN N#CC1(CNC2CC(c3ccccc3)C2)CCCC1 ZINC000593653396 1127392702 /nfs/dbraw/zinc/39/27/02/1127392702.db2.gz JJNBCYWCCQNASM-UHFFFAOYSA-N 0 3 254.377 3.606 20 30 CHEDHN Cc1ccccc1C[C@@H](C)NCC1(C#N)CCCC1 ZINC000593653583 1127392892 /nfs/dbraw/zinc/39/28/92/1127392892.db2.gz QPEHHXPHVQIPOI-OAHLLOKOSA-N 0 3 256.393 3.600 20 30 CHEDHN C=CCSCCN[C@H](CC)c1cc(F)ccc1F ZINC000358027473 1127396421 /nfs/dbraw/zinc/39/64/21/1127396421.db2.gz RQFDYOLEHGTWBL-CQSZACIVSA-N 0 3 271.376 3.925 20 30 CHEDHN C=CCC[C@H](CCC)NCc1nnc(C(C)C)s1 ZINC000358268718 1127412083 /nfs/dbraw/zinc/41/20/83/1127412083.db2.gz SMLYTYJOGREEQZ-LBPRGKRZSA-N 0 3 267.442 3.886 20 30 CHEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000594507594 1127418981 /nfs/dbraw/zinc/41/89/81/1127418981.db2.gz NWSDWCLBQPVVLF-HZPDHXFCSA-N 0 3 274.383 3.858 20 30 CHEDHN N#CC1(c2ccc(CNCc3ccsc3)cc2)CC1 ZINC000594920922 1127435585 /nfs/dbraw/zinc/43/55/85/1127435585.db2.gz CAFVESMMADMLMD-UHFFFAOYSA-N 0 3 268.385 3.593 20 30 CHEDHN Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)cc(C)n1 ZINC000594949960 1127439363 /nfs/dbraw/zinc/43/93/63/1127439363.db2.gz JMSDJBJVZRHNEY-UHFFFAOYSA-N 0 3 291.398 3.543 20 30 CHEDHN CCOc1ccc(CNCc2ccc(C#N)c(F)c2)c(C)c1 ZINC000594961743 1127440514 /nfs/dbraw/zinc/44/05/14/1127440514.db2.gz YRROZTYAUZNNEA-UHFFFAOYSA-N 0 3 298.361 3.694 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000595061275 1127447334 /nfs/dbraw/zinc/44/73/34/1127447334.db2.gz ZSXQDBUUKTYJLY-ZDUSSCGKSA-N 0 3 295.448 3.664 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1ccc(CC)o1 ZINC000595061067 1127447342 /nfs/dbraw/zinc/44/73/42/1127447342.db2.gz XYDRAKPVUXQHAV-LBPRGKRZSA-N 0 3 253.411 3.802 20 30 CHEDHN C=CCCSCCN[C@H](C)c1nc2ccccc2n1C ZINC000595061250 1127447414 /nfs/dbraw/zinc/44/74/14/1127447414.db2.gz ZIBYCCVAQMQUBG-CYBMUJFWSA-N 0 3 289.448 3.533 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(C(F)F)nc1 ZINC000595053597 1127451039 /nfs/dbraw/zinc/45/10/39/1127451039.db2.gz WSEQNTHJVRIJNN-JTQLQIEISA-N 0 3 267.323 3.610 20 30 CHEDHN C[C@H](Cc1ccccc1F)NCC1(C#N)CCCCC1 ZINC000595090180 1127454238 /nfs/dbraw/zinc/45/42/38/1127454238.db2.gz DYIPRPQRIGCSAT-CQSZACIVSA-N 0 3 274.383 3.820 20 30 CHEDHN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1ccc(C#N)cc1F ZINC000595090729 1127454363 /nfs/dbraw/zinc/45/43/63/1127454363.db2.gz FMCLPNAXFKVOGR-RNCFNFMXSA-N 0 3 282.309 3.639 20 30 CHEDHN N#CC[C@H]1CCCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000595619491 1127468325 /nfs/dbraw/zinc/46/83/25/1127468325.db2.gz BZGCITHTBIXESM-DYVFJYSZSA-N 0 3 272.367 3.829 20 30 CHEDHN C[C@H]1CC[C@@]2(CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC000359566497 1127468643 /nfs/dbraw/zinc/46/86/43/1127468643.db2.gz VUGVEGVROMALRA-SUMWQHHRSA-N 0 3 272.367 3.709 20 30 CHEDHN CCCCC[C@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000595872267 1127479919 /nfs/dbraw/zinc/47/99/19/1127479919.db2.gz SUSVZDFAXZCWLJ-KRWDZBQOSA-N 0 3 271.408 3.888 20 30 CHEDHN C[C@@H](NCc1cccc(F)c1C#N)C1CCC(F)CC1 ZINC000595821789 1127477160 /nfs/dbraw/zinc/47/71/60/1127477160.db2.gz GCFPZWHXVHLBPG-LKSINWNRSA-N 0 3 278.346 3.704 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CCC(=Cc3ccccc3F)CC2)C1 ZINC000292738021 1127478833 /nfs/dbraw/zinc/47/88/33/1127478833.db2.gz HCMGVGSVQNFNBA-WBVHZDCISA-N 0 3 284.378 3.997 20 30 CHEDHN CC1(C)CN(CCc2ccc(C#N)cc2)[C@@H]1c1ccncc1 ZINC000596595395 1127510219 /nfs/dbraw/zinc/51/02/19/1127510219.db2.gz ZDAVHUADTZIYML-GOSISDBHSA-N 0 3 291.398 3.579 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](CC)Cc1ccc(Cl)cc1 ZINC000597086971 1127528082 /nfs/dbraw/zinc/52/80/82/1127528082.db2.gz QANIABFDMHAXMO-CABCVRRESA-N 0 3 264.800 3.943 20 30 CHEDHN COc1cc(CN2CCC[C@@H](CC#N)C2)cc2ccccc21 ZINC000597177540 1127532332 /nfs/dbraw/zinc/53/23/32/1127532332.db2.gz OQYLVZDMHXBORO-HNNXBMFYSA-N 0 3 294.398 3.974 20 30 CHEDHN CC(C)[C@H](CN1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597231751 1127535660 /nfs/dbraw/zinc/53/56/60/1127535660.db2.gz ONVGGLHKZJLKAG-IRXDYDNUSA-N 0 3 256.393 3.662 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@H](NCC2(C#N)CCCCC2)CS1 ZINC000597224752 1127536216 /nfs/dbraw/zinc/53/62/16/1127536216.db2.gz JMDWLUIOUFEXQN-KBPBESRZSA-N 0 3 280.481 3.970 20 30 CHEDHN C/C=C/C[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001308887556 1127557895 /nfs/dbraw/zinc/55/78/95/1127557895.db2.gz WONKXRSQIGNNIB-DCKQQPRJSA-N 0 3 253.389 3.716 20 30 CHEDHN C=CCSCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000602544548 1127590279 /nfs/dbraw/zinc/59/02/79/1127590279.db2.gz LCZUHNQEPBSVMV-UHFFFAOYSA-N 0 3 294.370 3.522 20 30 CHEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000602531267 1127591734 /nfs/dbraw/zinc/59/17/34/1127591734.db2.gz GPAAFPBYSFILEU-KRWDZBQOSA-N 0 3 299.418 3.694 20 30 CHEDHN Cc1ccccc1[C@H](NCc1cccc(C#N)n1)C(C)C ZINC000602561429 1127593140 /nfs/dbraw/zinc/59/31/40/1127593140.db2.gz FLYVQCPZTGVGOP-GOSISDBHSA-N 0 3 279.387 3.749 20 30 CHEDHN CC[C@H](C)[C@@H](CN[C@@H](CCC#N)c1ccccc1)OC ZINC000602584032 1127596955 /nfs/dbraw/zinc/59/69/55/1127596955.db2.gz WJTXTXZHCASCMV-BHYGNILZSA-N 0 3 274.408 3.682 20 30 CHEDHN Cc1cc(CN[C@H](CCCC#N)c2ccccc2)sn1 ZINC000602669816 1127601936 /nfs/dbraw/zinc/60/19/36/1127601936.db2.gz KNIAKIFHHLYNCX-MRXNPFEDSA-N 0 3 285.416 3.976 20 30 CHEDHN CCN(Cc1ccncc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000294767737 1127597712 /nfs/dbraw/zinc/59/77/12/1127597712.db2.gz JEWQPDNCTSGJFT-HNNXBMFYSA-N 0 3 279.387 3.845 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)CCc1c[nH]c2ccccc12 ZINC000602609260 1127598855 /nfs/dbraw/zinc/59/88/55/1127598855.db2.gz AOPWMYVMYHRXJF-HIFRSBDPSA-N 0 3 269.392 3.771 20 30 CHEDHN C[C@H](CCC#N)CN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000602641999 1127599893 /nfs/dbraw/zinc/59/98/93/1127599893.db2.gz WXMPALQAMNOYAU-BDAKNGLRSA-N 0 3 291.342 3.752 20 30 CHEDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)NCC2(C#N)CCCC2)cc1 ZINC000602699213 1127605528 /nfs/dbraw/zinc/60/55/28/1127605528.db2.gz KSSOHWUIMXKQFG-BMGDILEWSA-N 0 3 298.430 3.861 20 30 CHEDHN C#CCOc1ccc(C[NH2+][C@H](CC)c2ccccc2[O-])cc1 ZINC000294986727 1127612353 /nfs/dbraw/zinc/61/23/53/1127612353.db2.gz KHPICMHWJUFJGA-GOSISDBHSA-N 0 3 295.382 3.645 20 30 CHEDHN N#CC1(CNC[C@H]2CCN(c3ccccc3)C2)CCCCC1 ZINC000602718040 1127608733 /nfs/dbraw/zinc/60/87/33/1127608733.db2.gz NWSNZKAIVQOURX-QGZVFWFLSA-N 0 3 297.446 3.577 20 30 CHEDHN N#CCC1(CNC2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000602789106 1127613836 /nfs/dbraw/zinc/61/38/36/1127613836.db2.gz XOFOVSCXPFMMQX-UHFFFAOYSA-N 0 3 294.320 3.978 20 30 CHEDHN COC[C@H](CC(C)(C)C)N[C@H](C)c1ccc(C#N)cc1F ZINC000593616383 1127637480 /nfs/dbraw/zinc/63/74/80/1127637480.db2.gz ZXPMUEYNHVJECU-OCCSQVGLSA-N 0 3 292.398 3.799 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2cccs2)cc1C#N ZINC000599359455 1127669703 /nfs/dbraw/zinc/66/97/03/1127669703.db2.gz QXNFWUIOVBATRO-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN Cc1ccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1C#N ZINC000599514217 1127676893 /nfs/dbraw/zinc/67/68/93/1127676893.db2.gz FIKDGGRCNZUNKH-CHWSQXEVSA-N 0 3 278.346 3.590 20 30 CHEDHN C#C[C@@H](NCc1cc(Br)cs1)C(C)(C)C ZINC000380152816 1127695291 /nfs/dbraw/zinc/69/52/91/1127695291.db2.gz YDTMFTFZNOIOPC-LLVKDONJSA-N 0 3 286.238 3.648 20 30 CHEDHN C=CCCCN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000605150646 1127731330 /nfs/dbraw/zinc/73/13/30/1127731330.db2.gz JZIWRCJRHXUEOR-AWEZNQCLSA-N 0 3 294.389 3.610 20 30 CHEDHN CC1(C)CC[C@H]1NCc1cc(C#N)ccc1Br ZINC000594004174 1127768560 /nfs/dbraw/zinc/76/85/60/1127768560.db2.gz WSVRRMUCCRLYHS-CYBMUJFWSA-N 0 3 293.208 3.599 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](OCC2CC2)C1 ZINC000372297996 1127794146 /nfs/dbraw/zinc/79/41/46/1127794146.db2.gz XBRLEYXONFVMRW-RDTXWAMCSA-N 0 3 284.403 3.510 20 30 CHEDHN C[C@@H](CCC#N)N(C)Cc1ccc(F)c(Cl)c1 ZINC000411634878 1127868422 /nfs/dbraw/zinc/86/84/22/1127868422.db2.gz MGQUDZUBJQDBAT-JTQLQIEISA-N 0 3 254.736 3.603 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccccc1O ZINC000374267145 1127882555 /nfs/dbraw/zinc/88/25/55/1127882555.db2.gz DGKNPZFFPBRVSL-ZWKOTPCHSA-N 0 3 292.382 3.664 20 30 CHEDHN C=CCCC[C@H](C)N[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000539510246 1127927183 /nfs/dbraw/zinc/92/71/83/1127927183.db2.gz SIHNJWSNJUHKNT-GJZGRUSLSA-N 0 3 298.434 3.971 20 30 CHEDHN C=CCCC[C@@H](C)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000540295793 1127972896 /nfs/dbraw/zinc/97/28/96/1127972896.db2.gz CUSNPHLIEUOKJL-OAHLLOKOSA-N 0 3 274.408 3.610 20 30 CHEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC2(C#N)CC2)cc1 ZINC000540552145 1127984259 /nfs/dbraw/zinc/98/42/59/1127984259.db2.gz BYFGQNJDZUSRLF-DLBZAZTESA-N 0 3 268.404 3.867 20 30 CHEDHN C[C@H]1CN(Cc2cncc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000929716202 1128048657 /nfs/dbraw/zinc/04/86/57/1128048657.db2.gz YADLOTSOBBFDFT-HNAYVOBHSA-N 0 3 291.398 3.579 20 30 CHEDHN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000271868238 1128071716 /nfs/dbraw/zinc/07/17/16/1128071716.db2.gz MANAIIMAIPUNEW-BEFAXECRSA-N 0 3 294.398 3.723 20 30 CHEDHN Cc1cc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000470948357 1128082074 /nfs/dbraw/zinc/08/20/74/1128082074.db2.gz SQWDPLVGCPPLNE-FZMZJTMJSA-N 0 3 282.309 3.639 20 30 CHEDHN c1ccc(CN2CCC(=NOC3CCC3)CC23CC3)cc1 ZINC000842532549 1128087347 /nfs/dbraw/zinc/08/73/47/1128087347.db2.gz BEFLWRUGGJNLQF-UHFFFAOYSA-N 0 3 284.403 3.740 20 30 CHEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000924532791 1128101872 /nfs/dbraw/zinc/10/18/72/1128101872.db2.gz URLCBEVUMWILES-WDEREUQCSA-N 0 3 266.335 3.944 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(F)cc1F ZINC000924544939 1128103529 /nfs/dbraw/zinc/10/35/29/1128103529.db2.gz LJWYDYSKPXCZRH-QWRGUYRKSA-N 0 3 266.335 3.944 20 30 CHEDHN COc1ccc(C)cc1[C@H](C)N[C@H](C)CC(C)(C)C#N ZINC000924583116 1128106211 /nfs/dbraw/zinc/10/62/11/1128106211.db2.gz WURMLCWKJJHKBK-KGLIPLIRSA-N 0 3 274.408 3.983 20 30 CHEDHN COc1ccc(C)cc1[C@@H](C)N[C@H](C)CC(C)(C)C#N ZINC000924583118 1128106794 /nfs/dbraw/zinc/10/67/94/1128106794.db2.gz WURMLCWKJJHKBK-ZIAGYGMSSA-N 0 3 274.408 3.983 20 30 CHEDHN Cc1cc(CN[C@@H]2CCc3cc(F)ccc32)ccc1C#N ZINC000443981341 1128108429 /nfs/dbraw/zinc/10/84/29/1128108429.db2.gz RQFOGUAQFFUENH-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(C(C)(C)O)cc1 ZINC000924640945 1128109148 /nfs/dbraw/zinc/10/91/48/1128109148.db2.gz VJTVFUGSSDACIW-CQSZACIVSA-N 0 3 294.398 3.636 20 30 CHEDHN COc1cccc2c1CC[C@H]2NCc1ccc(C#N)c(C)c1 ZINC000443993835 1128109760 /nfs/dbraw/zinc/10/97/60/1128109760.db2.gz BUBQIFPCBDSCLJ-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CSCc2ccccc21 ZINC000924847612 1128114849 /nfs/dbraw/zinc/11/48/49/1128114849.db2.gz HGAIYNUTKQZUGX-IUODEOHRSA-N 0 3 274.433 3.892 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccccc1OCC1CC1 ZINC000925108286 1128122278 /nfs/dbraw/zinc/12/22/78/1128122278.db2.gz IQQYAFNQMZLDAQ-AWEZNQCLSA-N 0 3 286.419 3.893 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NC1(c2ccc(F)cc2)CC1 ZINC000925848095 1128143999 /nfs/dbraw/zinc/14/39/99/1128143999.db2.gz ZXPQDMUOXISDST-GFCCVEGCSA-N 0 3 260.356 3.733 20 30 CHEDHN CN(Cc1ccc(F)c(C#N)c1)Cc1cccc2[nH]ccc21 ZINC000494097580 1128155088 /nfs/dbraw/zinc/15/50/88/1128155088.db2.gz HXJJCDFPISXOEJ-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN CCSc1cc(CN[C@@H](C)CC(C)(C)C#N)ccn1 ZINC000926226410 1128161622 /nfs/dbraw/zinc/16/16/22/1128161622.db2.gz LRCZSTSVKIIQPS-LBPRGKRZSA-N 0 3 277.437 3.612 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCOc2c(F)cccc21 ZINC000926242310 1128162585 /nfs/dbraw/zinc/16/25/85/1128162585.db2.gz QAEXTDBHEHFRNP-SMDDNHRTSA-N 0 3 276.355 3.567 20 30 CHEDHN CCSc1ccccc1C[C@@H](C)NCC(C)(C)C#N ZINC000926874816 1128198890 /nfs/dbraw/zinc/19/88/90/1128198890.db2.gz UZUAERGRBVJIRB-CYBMUJFWSA-N 0 3 276.449 3.869 20 30 CHEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cc2cnccc2o1 ZINC000926811934 1128196247 /nfs/dbraw/zinc/19/62/47/1128196247.db2.gz ISKNAXZUGSOHJS-NWDGAFQWSA-N 0 3 271.364 3.807 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1C#N ZINC000926963383 1128206712 /nfs/dbraw/zinc/20/67/12/1128206712.db2.gz DOSAIDKWGHGOFP-GOSISDBHSA-N 0 3 292.382 3.870 20 30 CHEDHN CC[C@H](NCc1ccc(C)c(C#N)c1)c1ccc(C#N)cc1 ZINC000926966610 1128206954 /nfs/dbraw/zinc/20/69/54/1128206954.db2.gz LUAPHGPKTQUKLW-IBGZPJMESA-N 0 3 289.382 3.979 20 30 CHEDHN C[C@H](Cc1cccc(F)c1)N(CCC#N)C1CCCC1 ZINC001168489290 1128291192 /nfs/dbraw/zinc/29/11/92/1128291192.db2.gz CLOILBBPMUKOMZ-CQSZACIVSA-N 0 3 274.383 3.915 20 30 CHEDHN N#CC1(CCCCN2CCc3ccc(O)cc3C2)CCC1 ZINC000929991823 1128297448 /nfs/dbraw/zinc/29/74/48/1128297448.db2.gz KAAZXXSLEARJOF-UHFFFAOYSA-N 0 3 284.403 3.614 20 30 CHEDHN CCc1ccc([C@@H]2CCN(Cc3cncc(C#N)c3)C2)cc1 ZINC000930563076 1128325629 /nfs/dbraw/zinc/32/56/29/1128325629.db2.gz BXUVTSJZBFZBCJ-LJQANCHMSA-N 0 3 291.398 3.505 20 30 CHEDHN CCn1ccnc1C(C#N)C(=O)CCCCC(C)(C)C ZINC001123234320 1128343272 /nfs/dbraw/zinc/34/32/72/1128343272.db2.gz UEAKVMQQPKKCHS-CYBMUJFWSA-N 0 3 275.396 3.686 20 30 CHEDHN CC[C@](C)(NCc1cncc(C#N)c1)c1ccc(F)cc1 ZINC000931380607 1128359708 /nfs/dbraw/zinc/35/97/08/1128359708.db2.gz MPNMKTZPZDKXOR-KRWDZBQOSA-N 0 3 283.350 3.507 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC(c2ncco2)CC1 ZINC000931442774 1128361181 /nfs/dbraw/zinc/36/11/81/1128361181.db2.gz FJJZWMYUFLMAIB-UHFFFAOYSA-N 0 3 295.386 3.543 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC=C(c2ccccn2)C1 ZINC000562479126 1128404838 /nfs/dbraw/zinc/40/48/38/1128404838.db2.gz UEYMSNZWOJESCJ-OAHLLOKOSA-N 0 3 289.382 3.804 20 30 CHEDHN N#Cc1ccc(C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000933613161 1128439117 /nfs/dbraw/zinc/43/91/17/1128439117.db2.gz WXKKVHSRDKGCPG-UHFFFAOYSA-N 0 3 282.309 3.690 20 30 CHEDHN C=CCN(Cc1cc(Cl)c2c(c1)OCCO2)C(C)C ZINC000917071499 1128475543 /nfs/dbraw/zinc/47/55/43/1128475543.db2.gz STJXUZACWDOKPM-UHFFFAOYSA-N 0 3 281.783 3.508 20 30 CHEDHN COc1cc([C@H](C)NCc2ccc(C#N)cc2)ccc1F ZINC000154485404 1128515998 /nfs/dbraw/zinc/51/59/98/1128515998.db2.gz ZPKGGZQBCXVEJD-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN FCCCCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000569948174 1128612883 /nfs/dbraw/zinc/61/28/83/1128612883.db2.gz IVRLEJIESNPWNJ-UHFFFAOYSA-N 0 3 295.242 3.943 20 30 CHEDHN C=C(Br)CN[C@@H](C)CCc1ccccc1 ZINC000044482659 1128633427 /nfs/dbraw/zinc/63/34/27/1128633427.db2.gz VPDRKICFRRGIEC-LBPRGKRZSA-N 0 3 268.198 3.506 20 30 CHEDHN CCCCCCC[C@@H](C)N1CCc2nn(C)cc2C1 ZINC001258050722 1128695445 /nfs/dbraw/zinc/69/54/45/1128695445.db2.gz WWXJBDVLLVGYRX-CQSZACIVSA-N 0 3 263.429 3.527 20 30 CHEDHN Cc1scc(CNCc2ccc(C#N)c(C)c2)c1C ZINC000601143530 1128701178 /nfs/dbraw/zinc/70/11/78/1128701178.db2.gz GMDHVIQNGHZOGP-UHFFFAOYSA-N 0 3 270.401 3.835 20 30 CHEDHN N#CC1(CN[C@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000578076251 1128705645 /nfs/dbraw/zinc/70/56/45/1128705645.db2.gz BQQSSVIDXBUGKQ-SJORKVTESA-N 0 3 268.404 3.996 20 30 CHEDHN N#Cc1ccccc1CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000609916582 1128731540 /nfs/dbraw/zinc/73/15/40/1128731540.db2.gz YFVPDUDMVOOIFL-MRXNPFEDSA-N 0 3 294.373 3.762 20 30 CHEDHN N#CC(C(=O)CCc1ccc(Cl)s1)c1ccccn1 ZINC000049458590 1117749826 /nfs/dbraw/zinc/74/98/26/1117749826.db2.gz WLZONHNFQILLRA-NSHDSACASA-N 0 3 290.775 3.606 20 30 CHEDHN FCCCCCN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000671241612 1117783632 /nfs/dbraw/zinc/78/36/32/1117783632.db2.gz XFAZHNIBRBFZHT-DTORHVGOSA-N 0 3 295.242 3.799 20 30 CHEDHN C=C(C)COc1cc(CN2CC[C@H]2CC)ccc1OC ZINC000430191773 1117833560 /nfs/dbraw/zinc/83/35/60/1117833560.db2.gz HORMAZXODGDNKG-OAHLLOKOSA-N 0 3 275.392 3.634 20 30 CHEDHN C=CCCCCCN(C)Cc1cc(C)c(C(=O)OC)o1 ZINC000610079884 1128738064 /nfs/dbraw/zinc/73/80/64/1128738064.db2.gz BIZXCUBGSVGSHL-UHFFFAOYSA-N 0 3 279.380 3.553 20 30 CHEDHN C=CCC[C@@H](NCC(=O)NC(C)(C)CC)c1ccccc1 ZINC000180047624 1117921061 /nfs/dbraw/zinc/92/10/61/1117921061.db2.gz DVICBQILTCUEMP-MRXNPFEDSA-N 0 3 288.435 3.588 20 30 CHEDHN Cc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000237576877 1128743962 /nfs/dbraw/zinc/74/39/62/1128743962.db2.gz LXJUIVJDGJMBCP-GFCCVEGCSA-N 0 3 286.400 3.637 20 30 CHEDHN N#CC1(CCN[C@@H](c2ccccn2)C2CC2)CCCCC1 ZINC000932382716 1117928486 /nfs/dbraw/zinc/92/84/86/1117928486.db2.gz AXOINTNNPBDTBG-QGZVFWFLSA-N 0 3 283.419 3.986 20 30 CHEDHN C#CC[C@H]1CCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC001206799252 1117938304 /nfs/dbraw/zinc/93/83/04/1117938304.db2.gz CZUHMULNYMSPBM-HNNXBMFYSA-N 0 3 281.355 3.917 20 30 CHEDHN C=CCCCNCc1ccsc1Br ZINC000388403661 1117972506 /nfs/dbraw/zinc/97/25/06/1117972506.db2.gz QICFKBGLZJVPIS-UHFFFAOYSA-N 0 3 260.200 3.566 20 30 CHEDHN COc1cccc([C@H](C)NCc2ccc(C#N)cc2C)c1 ZINC000165358461 1118016859 /nfs/dbraw/zinc/01/68/59/1118016859.db2.gz WXULTGOGCVUPDK-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C=CCCCCCCN1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001209430735 1118051605 /nfs/dbraw/zinc/05/16/05/1118051605.db2.gz BOGIFHSIRWBFIJ-HOTGVXAUSA-N 0 3 263.425 3.957 20 30 CHEDHN C=CCCCCCCCN1CC(N2CCC(F)CC2)C1 ZINC001209439493 1118059062 /nfs/dbraw/zinc/05/90/62/1118059062.db2.gz RHICEMSRPOLHIN-UHFFFAOYSA-N 0 3 282.447 3.631 20 30 CHEDHN Cc1c([C@H](C)NCc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000765011450 1118129756 /nfs/dbraw/zinc/12/97/56/1118129756.db2.gz BRTRHRJXSAPANA-ZDUSSCGKSA-N 0 3 295.342 3.626 20 30 CHEDHN COc1ccc(C#N)cc1CN(C)CCC1CCCCC1 ZINC001167273510 1118137024 /nfs/dbraw/zinc/13/70/24/1118137024.db2.gz JJNCUXSWXLKQPN-UHFFFAOYSA-N 0 3 286.419 3.969 20 30 CHEDHN Cc1cc(C#N)ccc1CN(C)Cc1cccs1 ZINC000165441147 1118270090 /nfs/dbraw/zinc/27/00/90/1118270090.db2.gz FSINGFMBGZWLHT-UHFFFAOYSA-N 0 3 256.374 3.560 20 30 CHEDHN CC[C@@H]1CC[C@H](C)N1Cc1cc(Cl)cc(C#N)c1 ZINC001168580164 1118270411 /nfs/dbraw/zinc/27/04/11/1118270411.db2.gz MHJZRZVRWGIUDQ-XHDPSFHLSA-N 0 3 262.784 3.975 20 30 CHEDHN CC(C)(C)C1CCN(CC#Cc2ccccc2)CC1 ZINC000211680420 1118349774 /nfs/dbraw/zinc/34/97/74/1118349774.db2.gz IAEJMNWBZIFURE-UHFFFAOYSA-N 0 3 255.405 3.796 20 30 CHEDHN N#Cc1ccccc1CN(C1CC1)C1CCCCC1 ZINC000047903830 1118411034 /nfs/dbraw/zinc/41/10/34/1118411034.db2.gz PYQHVFULWBNMER-UHFFFAOYSA-N 0 3 254.377 3.855 20 30 CHEDHN C[C@@]1(Cc2cccs2)CCCN1Cc1ccncc1C#N ZINC000932923510 1118478718 /nfs/dbraw/zinc/47/87/18/1118478718.db2.gz RBQPJMJHUGQYDO-KRWDZBQOSA-N 0 3 297.427 3.612 20 30 CHEDHN CN1CCC[C@@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000334577011 1118556156 /nfs/dbraw/zinc/55/61/56/1118556156.db2.gz BVUTXCFRCVRJDU-GOSISDBHSA-N 0 3 291.398 3.619 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)c1cccc(C)c1)c1ccco1 ZINC000796835071 1118641959 /nfs/dbraw/zinc/64/19/59/1118641959.db2.gz KAYBBXRODONQTG-IAGOWNOFSA-N 0 3 285.387 3.919 20 30 CHEDHN N#CCC1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140436974 1118651656 /nfs/dbraw/zinc/65/16/56/1118651656.db2.gz XOWKYBIAWHXPTM-UHFFFAOYSA-N 0 3 287.794 3.947 20 30 CHEDHN CC#CCN[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000341607664 1118756206 /nfs/dbraw/zinc/75/62/06/1118756206.db2.gz WFUAAXLFAAGPJZ-GFCCVEGCSA-N 0 3 270.401 3.792 20 30 CHEDHN CCC[C@@H](NCC1(CC#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000430745226 1118766989 /nfs/dbraw/zinc/76/69/89/1118766989.db2.gz WIOCHGOCHVYWJC-OAHLLOKOSA-N 0 3 287.363 3.719 20 30 CHEDHN C=CCCOCCN[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000090883942 1118778146 /nfs/dbraw/zinc/77/81/46/1118778146.db2.gz JJNKLZAHDULUCZ-GFCCVEGCSA-N 0 3 296.480 3.992 20 30 CHEDHN N#Cc1ccc(F)cc1CN(C1CC1)C1CCCCC1 ZINC000610728522 1118843663 /nfs/dbraw/zinc/84/36/63/1118843663.db2.gz MJXMSCABRZRTFR-UHFFFAOYSA-N 0 3 272.367 3.994 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(COC)o1 ZINC000092505640 1118853470 /nfs/dbraw/zinc/85/34/70/1118853470.db2.gz FHLWZTIVAKJRFS-UHFFFAOYSA-N 0 3 285.387 3.657 20 30 CHEDHN C=C(C)CN(C)Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000181048718 1118900961 /nfs/dbraw/zinc/90/09/61/1118900961.db2.gz OJBRCQVJSYZZBU-UHFFFAOYSA-N 0 3 283.799 3.755 20 30 CHEDHN N#Cc1cc(CN2CCCC3(C2)CCCCCC3)ccn1 ZINC000610994034 1118919112 /nfs/dbraw/zinc/91/91/12/1118919112.db2.gz RPGPVWQEBNKNHL-UHFFFAOYSA-N 0 3 283.419 3.890 20 30 CHEDHN CC(C)[C@@H](NCc1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000610994455 1118919243 /nfs/dbraw/zinc/91/92/43/1118919243.db2.gz QZPKYEZTJAVWQZ-QGZVFWFLSA-N 0 3 283.350 3.579 20 30 CHEDHN N#CC(C(=O)c1cc2c(s1)CCCCC2)c1ccccn1 ZINC000041493527 1118946735 /nfs/dbraw/zinc/94/67/35/1118946735.db2.gz LQUNWIRVKFNCAE-ZDUSSCGKSA-N 0 3 296.395 3.902 20 30 CHEDHN C=CCCCCNCc1coc(-c2ccccc2)n1 ZINC000472056430 1118951981 /nfs/dbraw/zinc/95/19/81/1118951981.db2.gz VLJWBQPAPMMUSC-UHFFFAOYSA-N 0 3 256.349 3.788 20 30 CHEDHN C=CCN(CCOCCC(C)C)Cc1ccccc1 ZINC000511029672 1118960856 /nfs/dbraw/zinc/96/08/56/1118960856.db2.gz PMNNDKXGBGSUPR-UHFFFAOYSA-N 0 3 261.409 3.737 20 30 CHEDHN C=CCOc1c(Cl)cc(CN(C)C2CC2)cc1OC ZINC000628135270 1128816864 /nfs/dbraw/zinc/81/68/64/1128816864.db2.gz QWIZTNPEPBZQFQ-UHFFFAOYSA-N 0 3 281.783 3.508 20 30 CHEDHN CC[C@@H](NCc1c(C)nn(CC)c1C)c1ccc(C#N)cc1 ZINC000582400016 1119072170 /nfs/dbraw/zinc/07/21/70/1119072170.db2.gz IVAVWCZJMPYLKK-GOSISDBHSA-N 0 3 296.418 3.632 20 30 CHEDHN C[C@H](N[C@H](CO)CCC(C)(C)C)c1ccc(C#N)cc1F ZINC000479550187 1119124305 /nfs/dbraw/zinc/12/43/05/1119124305.db2.gz ZPMZZJLDQWWLPF-JSGCOSHPSA-N 0 3 292.398 3.535 20 30 CHEDHN C[C@H](c1ccc(F)cc1)N(C)Cc1cccc(C#N)c1 ZINC000248039710 1119305480 /nfs/dbraw/zinc/30/54/80/1119305480.db2.gz KNOUTVOXFMNLPV-CYBMUJFWSA-N 0 3 268.335 3.890 20 30 CHEDHN C=CCOCCN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000319350975 1119338062 /nfs/dbraw/zinc/33/80/62/1119338062.db2.gz MTIXSAIZNHXMBK-LJQANCHMSA-N 0 3 297.398 3.577 20 30 CHEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000158145944 1119432106 /nfs/dbraw/zinc/43/21/06/1119432106.db2.gz XZYXMTUALULWKC-GXSJLCMTSA-N 0 3 282.434 3.584 20 30 CHEDHN C=CCCC(C)(C)NCc1ncc(Br)s1 ZINC000657804926 1119433018 /nfs/dbraw/zinc/43/30/18/1119433018.db2.gz HMANGEHLZBHTKE-UHFFFAOYSA-N 0 3 289.242 3.740 20 30 CHEDHN C=CCCN(C)Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000343498688 1119434978 /nfs/dbraw/zinc/43/49/78/1119434978.db2.gz SUIFMJDJZULNBV-UHFFFAOYSA-N 0 3 289.810 3.842 20 30 CHEDHN CC(C)CCN(CCC#N)C[C@@H](C)CC1CCOCC1 ZINC000349970967 1119452863 /nfs/dbraw/zinc/45/28/63/1119452863.db2.gz RPOWRBBCSWIURL-INIZCTEOSA-N 0 3 280.456 3.701 20 30 CHEDHN CC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000343631073 1119475361 /nfs/dbraw/zinc/47/53/61/1119475361.db2.gz MTISEVXDSMMPHE-CQSZACIVSA-N 0 3 298.390 3.523 20 30 CHEDHN C=CCCCN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182520 1119498968 /nfs/dbraw/zinc/49/89/68/1119498968.db2.gz GHIMDZAVDMIIRJ-DTORHVGOSA-N 0 3 275.236 3.625 20 30 CHEDHN COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371325 1119698603 /nfs/dbraw/zinc/69/86/03/1119698603.db2.gz OKFBOFZDFBPSIX-ZDUSSCGKSA-N 0 3 298.367 3.519 20 30 CHEDHN C[C@@H](C1CC1)N(C)Cc1ccc(Br)cc1C#N ZINC000310308360 1119737739 /nfs/dbraw/zinc/73/77/39/1119737739.db2.gz SIDKGVRKQRZWDG-JTQLQIEISA-N 0 3 293.208 3.551 20 30 CHEDHN C=C(Cl)CN[C@H](C)Cc1ccc(Br)cc1 ZINC000235483262 1119762780 /nfs/dbraw/zinc/76/27/80/1119762780.db2.gz QODFBHMCUKMWPZ-SNVBAGLBSA-N 0 3 288.616 3.722 20 30 CHEDHN CCC(CC)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000177731787 1119849308 /nfs/dbraw/zinc/84/93/08/1119849308.db2.gz XXVNOIFZINXYIU-LBPRGKRZSA-N 0 3 270.332 3.830 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c(C)c1 ZINC000414159012 1119920540 /nfs/dbraw/zinc/92/05/40/1119920540.db2.gz ZQZXBBINTWXPAE-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN C=CC(C)(C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000892553776 1119935938 /nfs/dbraw/zinc/93/59/38/1119935938.db2.gz VGXTYPWDLXWKPF-LLVKDONJSA-N 0 3 268.316 3.606 20 30 CHEDHN Cc1cncc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000613512264 1119958403 /nfs/dbraw/zinc/95/84/03/1119958403.db2.gz BZZKYACCUARDIB-ZIAGYGMSSA-N 0 3 265.360 3.674 20 30 CHEDHN C#CCCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000180941015 1120100336 /nfs/dbraw/zinc/10/03/36/1120100336.db2.gz WJGGPMCOABIZMP-SFHVURJKSA-N 0 3 264.372 3.564 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343842845 1120160769 /nfs/dbraw/zinc/16/07/69/1120160769.db2.gz RZJGQFGFIOXISV-SFYZADRCSA-N 0 3 264.316 3.777 20 30 CHEDHN C=CCC[C@H](O)CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000472769360 1120168473 /nfs/dbraw/zinc/16/84/73/1120168473.db2.gz XZPYIGJSHAHNSR-LBPRGKRZSA-N 0 3 288.218 3.752 20 30 CHEDHN C[C@H](CCNCC1(C#N)CCCC1)c1ccccc1 ZINC000405153950 1120190780 /nfs/dbraw/zinc/19/07/80/1120190780.db2.gz QQZRQSBEQRJSCH-OAHLLOKOSA-N 0 3 256.393 3.854 20 30 CHEDHN Cc1cc(C(F)(F)F)ccc1CN1CCC(C#N)CC1 ZINC000191060032 1128901941 /nfs/dbraw/zinc/90/19/41/1128901941.db2.gz VQMKGDCPBNWQKO-UHFFFAOYSA-N 0 3 282.309 3.749 20 30 CHEDHN CC1(C)C[C@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 ZINC000572539943 1128906919 /nfs/dbraw/zinc/90/69/19/1128906919.db2.gz QDKRPTUSJVDCOI-GOSISDBHSA-N 0 3 291.398 3.926 20 30 CHEDHN N#Cc1cc(CNC[C@H]2CCC3(CCCCC3)O2)cs1 ZINC000922049842 1120346485 /nfs/dbraw/zinc/34/64/85/1120346485.db2.gz QCHAOWANOBYAMV-CQSZACIVSA-N 0 3 290.432 3.591 20 30 CHEDHN N#CCC1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000543184357 1120455896 /nfs/dbraw/zinc/45/58/96/1120455896.db2.gz MOWSHNYCIIWKJK-MRXNPFEDSA-N 0 3 274.795 3.953 20 30 CHEDHN CC(C)OC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000531164480 1120486689 /nfs/dbraw/zinc/48/66/89/1120486689.db2.gz ZBNBCXDTFJEJFN-AWEZNQCLSA-N 0 3 272.392 3.509 20 30 CHEDHN CN(Cc1cccc(F)c1C#N)[C@H]1CCC(C)(C)C1 ZINC000428952986 1120585001 /nfs/dbraw/zinc/58/50/01/1120585001.db2.gz JBEZZKZNUHGRLR-ZDUSSCGKSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1sccc1CNCc1ccc(C)c(C#N)c1 ZINC000922758828 1120593363 /nfs/dbraw/zinc/59/33/63/1120593363.db2.gz ATXQKLGAUMABKL-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN C=CCC[C@@H](NCc1cncs1)c1ccccc1 ZINC000158840407 1120624568 /nfs/dbraw/zinc/62/45/68/1120624568.db2.gz FJODYKKCKWOLDP-OAHLLOKOSA-N 0 3 258.390 3.940 20 30 CHEDHN C=C(C)CN(CCC=C(C)C)Cc1ccc(CO)o1 ZINC000660535261 1120652419 /nfs/dbraw/zinc/65/24/19/1120652419.db2.gz AHBFSRHYHHQIHX-UHFFFAOYSA-N 0 3 263.381 3.506 20 30 CHEDHN N#Cc1c(CN(C2CCC2)C2CCC2)cn2ccccc12 ZINC000429133364 1120672250 /nfs/dbraw/zinc/67/22/50/1120672250.db2.gz OCONPHUBCNIUIU-UHFFFAOYSA-N 0 3 279.387 3.718 20 30 CHEDHN CCCCS[C@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000125060416 1120694038 /nfs/dbraw/zinc/69/40/38/1120694038.db2.gz IVVRAUYOFKYJHU-MNOVXSKESA-N 0 3 282.434 3.550 20 30 CHEDHN N#Cc1cncc(CN2CCC[C@H]2CCC2CCCC2)c1 ZINC001307582893 1120690216 /nfs/dbraw/zinc/69/02/16/1120690216.db2.gz KHQAPTYUVNTEBY-SFHVURJKSA-N 0 3 283.419 3.888 20 30 CHEDHN CCCCS[C@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000125059996 1120694011 /nfs/dbraw/zinc/69/40/11/1120694011.db2.gz IVVRAUYOFKYJHU-GHMZBOCLSA-N 0 3 282.434 3.550 20 30 CHEDHN C[C@H](NCc1ccc2cnccc2c1)c1cccc(C#N)c1 ZINC000618725773 1128934345 /nfs/dbraw/zinc/93/43/45/1128934345.db2.gz FKPFAUCHKZSNMF-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN Cc1cncc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618802195 1128938558 /nfs/dbraw/zinc/93/85/58/1128938558.db2.gz CZJZSNQKTFDALC-UGSOOPFHSA-N 0 3 277.371 3.600 20 30 CHEDHN C[C@H](NCC1(C#N)CCCCC1)C(C)(C)C(F)F ZINC000595091958 1120774007 /nfs/dbraw/zinc/77/40/07/1120774007.db2.gz VOJDUJTVOKJURT-NSHDSACASA-N 0 3 258.356 3.730 20 30 CHEDHN C=CCC[C@H](C)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000662049597 1120865184 /nfs/dbraw/zinc/86/51/84/1120865184.db2.gz AHZOZJTZQWMFDK-GWCFXTLKSA-N 0 3 288.218 3.971 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000599059173 1120871891 /nfs/dbraw/zinc/87/18/91/1120871891.db2.gz OLNVCGWXNSTAJH-BPLDGKMQSA-N 0 3 290.357 3.836 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000662082439 1120872430 /nfs/dbraw/zinc/87/24/30/1120872430.db2.gz UYJMMQDSTWZDKU-YESZJQIVSA-N 0 3 298.430 3.813 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nsc2ccccc21 ZINC000662088851 1120873408 /nfs/dbraw/zinc/87/34/08/1120873408.db2.gz PBKZOZICIDBJBU-BETUJISGSA-N 0 3 270.401 3.979 20 30 CHEDHN C=CCOc1ccc(CN2CC[C@@H](C)C2)cc1Cl ZINC000511974208 1120954049 /nfs/dbraw/zinc/95/40/49/1120954049.db2.gz TVOLHPUZMHJPRY-GFCCVEGCSA-N 0 3 265.784 3.747 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1occc1C ZINC000512044243 1121034602 /nfs/dbraw/zinc/03/46/02/1121034602.db2.gz DMUYNOREWYGZHZ-UHFFFAOYSA-N 0 3 255.361 3.819 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2nc3ccc(OC)cc3s2)C1 ZINC000625700569 1121061181 /nfs/dbraw/zinc/06/11/81/1121061181.db2.gz CBFYYOWBSPJVAA-GFCCVEGCSA-N 0 3 288.416 3.703 20 30 CHEDHN N#C[C@H]1CC[C@H](Nc2cc(CN3CCCCC3)ccn2)CC1 ZINC001167843253 1121073040 /nfs/dbraw/zinc/07/30/40/1121073040.db2.gz ZVGHEYFJSQZCRY-JCNLHEQBSA-N 0 3 298.434 3.562 20 30 CHEDHN C=C(C)CN(CCCc1ccccc1)Cc1ccc(CO)o1 ZINC000512179713 1121143011 /nfs/dbraw/zinc/14/30/11/1121143011.db2.gz MPXMDNUWHQVTBT-UHFFFAOYSA-N 0 3 299.414 3.783 20 30 CHEDHN C=C(Br)CN1CCCC[C@@H]1CC(C)C ZINC001167896821 1121256494 /nfs/dbraw/zinc/25/64/94/1121256494.db2.gz BMGPKDSZIWQDLC-GFCCVEGCSA-N 0 3 260.219 3.796 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(OC(C)C)ccn1 ZINC000662089430 1121289033 /nfs/dbraw/zinc/28/90/33/1121289033.db2.gz YNMGVJCWBYBTFU-IYBDPMFKSA-N 0 3 272.392 3.552 20 30 CHEDHN CN1CCC=C(Nc2ccccc2-c2ccc(C#N)cc2)C1 ZINC001175582647 1121372254 /nfs/dbraw/zinc/37/22/54/1121372254.db2.gz JAUKKZKPRHWBHP-UHFFFAOYSA-N 0 3 289.382 3.857 20 30 CHEDHN C=CC[C@@H](CC)N[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000500815947 1121404083 /nfs/dbraw/zinc/40/40/83/1121404083.db2.gz NDLWMGYIDQBAGD-SJORKVTESA-N 0 3 288.435 3.540 20 30 CHEDHN CN(Cc1ccc2cc[nH]c2c1)Cc1cccc(C#N)c1 ZINC001175612924 1121411218 /nfs/dbraw/zinc/41/12/18/1121411218.db2.gz VKLWDLGZQLMAJH-UHFFFAOYSA-N 0 3 275.355 3.672 20 30 CHEDHN CC(C)(C)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000512547940 1121469163 /nfs/dbraw/zinc/46/91/63/1121469163.db2.gz VEXXNVDNCDEGSZ-UHFFFAOYSA-N 0 3 262.422 3.878 20 30 CHEDHN CC#CCN1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC001175821651 1121474198 /nfs/dbraw/zinc/47/41/98/1121474198.db2.gz MUAGLAOWGJOVQC-ZDUSSCGKSA-N 0 3 263.331 3.556 20 30 CHEDHN Clc1cccc(C#CCN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000625776140 1121492428 /nfs/dbraw/zinc/49/24/28/1121492428.db2.gz BWJQDBAEIBJNHN-CVEARBPZSA-N 0 3 291.847 3.661 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159675 1121497668 /nfs/dbraw/zinc/49/76/68/1121497668.db2.gz NZEYPEVLVWDZJF-UHFFFAOYSA-N 0 3 254.377 3.662 20 30 CHEDHN C=C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167283 1121500774 /nfs/dbraw/zinc/50/07/74/1121500774.db2.gz HJJFIYGVZROQDL-UHFFFAOYSA-N 0 3 254.377 3.640 20 30 CHEDHN N#Cc1cc(Cl)c(Nc2ncc[nH]2)cc1C(F)(F)F ZINC001176090718 1121537165 /nfs/dbraw/zinc/53/71/65/1121537165.db2.gz OEBGJWTWAJIGEV-UHFFFAOYSA-N 0 3 286.644 3.697 20 30 CHEDHN C#CCN(C[C@@H]1CC[C@H](C)O1)[C@H]1CCCc2ccccc21 ZINC001176454044 1121633172 /nfs/dbraw/zinc/63/31/72/1121633172.db2.gz YJZLLHWLUXKEBY-IEZWGBDMSA-N 0 3 283.415 3.567 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000611300587 1121635428 /nfs/dbraw/zinc/63/54/28/1121635428.db2.gz QXSZBEZCHUXUKG-UKRRQHHQSA-N 0 3 279.387 3.982 20 30 CHEDHN C[C@H](NCc1ccnc(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000611376740 1121641913 /nfs/dbraw/zinc/64/19/13/1121641913.db2.gz VCZKLQWWSDPASB-AWEZNQCLSA-N 0 3 291.398 3.683 20 30 CHEDHN COCC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000611389375 1121642083 /nfs/dbraw/zinc/64/20/83/1121642083.db2.gz VAKSTKFVRFDFBW-BEFAXECRSA-N 0 3 294.398 3.987 20 30 CHEDHN C[C@H]1CCCC[C@@H]1OCCNC1(c2cccc(C#N)c2)CC1 ZINC000611396024 1121643768 /nfs/dbraw/zinc/64/37/68/1121643768.db2.gz AQGKHKIXZQXYEY-YJBOKZPZSA-N 0 3 298.430 3.732 20 30 CHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000611438808 1121647234 /nfs/dbraw/zinc/64/72/34/1121647234.db2.gz WDWGUZYCNRVXBR-KBPBESRZSA-N 0 3 275.355 3.842 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C#N)c(F)c1 ZINC000611465810 1121649794 /nfs/dbraw/zinc/64/97/94/1121649794.db2.gz UYVHTSWDGZSHRL-QWHCGFSZSA-N 0 3 293.345 3.981 20 30 CHEDHN CCc1ccc(CCN(C)Cc2cc(C#N)cs2)cc1 ZINC001176554468 1121655071 /nfs/dbraw/zinc/65/50/71/1121655071.db2.gz FEFZWOQWZPRRII-UHFFFAOYSA-N 0 3 284.428 3.857 20 30 CHEDHN C#C[C@H]1CCCCN1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001176832752 1121697148 /nfs/dbraw/zinc/69/71/48/1121697148.db2.gz HJAZMENBQAJKBZ-JYJNAYRXSA-N 0 3 275.342 3.523 20 30 CHEDHN C(=NNC1CCCC1)c1ccccc1N1CCCCC1 ZINC000727652723 1121730498 /nfs/dbraw/zinc/73/04/98/1121730498.db2.gz WNANHOSKZPNIFK-UHFFFAOYSA-N 0 3 271.408 3.543 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000729267600 1121770276 /nfs/dbraw/zinc/77/02/76/1121770276.db2.gz YTPYAWTWYJXKBU-UHFFFAOYSA-N 0 3 292.382 3.777 20 30 CHEDHN C#Cc1ccc(CNCc2cccc3ccoc32)cc1 ZINC001178758822 1121812689 /nfs/dbraw/zinc/81/26/89/1121812689.db2.gz JVJDCNDLMMAPKA-UHFFFAOYSA-N 0 3 261.324 3.704 20 30 CHEDHN C#CCOc1cccc(Cl)c1CNCC/C=C\C=C ZINC001179473290 1121883495 /nfs/dbraw/zinc/88/34/95/1121883495.db2.gz WIEYEQXRQXEHSS-WAYWQWQTSA-N 0 3 275.779 3.574 20 30 CHEDHN COc1cc(CN2CCC(C3CCCC3)CC2)ccc1C#N ZINC001179849984 1121915548 /nfs/dbraw/zinc/91/55/48/1121915548.db2.gz MANLALKDDSIEOC-UHFFFAOYSA-N 0 3 298.430 3.969 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H]2CCC2CCCC2)n1 ZINC001179924886 1121922700 /nfs/dbraw/zinc/92/27/00/1121922700.db2.gz LBMHLBMEOPPUHR-SFHVURJKSA-N 0 3 283.419 3.888 20 30 CHEDHN CCNc1ccccc1CN(C)Cc1ccc(C#N)cc1 ZINC001180170216 1121962713 /nfs/dbraw/zinc/96/27/13/1121962713.db2.gz MECUOOPXWBBMGX-UHFFFAOYSA-N 0 3 279.387 3.622 20 30 CHEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)CC1(C#N)CC1 ZINC000501537493 1121985174 /nfs/dbraw/zinc/98/51/74/1121985174.db2.gz CQLWEMWJLHQHAU-KRWDZBQOSA-N 0 3 270.420 3.942 20 30 CHEDHN C=C(C)[C@@H](NC[C@@H](CCC)OC)c1ccc(F)c(F)c1 ZINC001180953689 1122025489 /nfs/dbraw/zinc/02/54/89/1122025489.db2.gz SABPQFSIDLOISQ-CZUORRHYSA-N 0 3 283.362 3.987 20 30 CHEDHN N#Cc1ccc(CNCc2cccc(C3CC3)c2)s1 ZINC000421348399 1122098240 /nfs/dbraw/zinc/09/82/40/1122098240.db2.gz FTFRVTCYWFSVOS-UHFFFAOYSA-N 0 3 268.385 3.787 20 30 CHEDHN C[C@@H](NCCCC(C)(C)C#N)c1c(F)cccc1F ZINC000271756646 1122174213 /nfs/dbraw/zinc/17/42/13/1122174213.db2.gz LUMAXIJGUMJJRM-LLVKDONJSA-N 0 3 266.335 3.945 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2cccc(OC3CC3)c2F)C1 ZINC001182543339 1122174333 /nfs/dbraw/zinc/17/43/33/1122174333.db2.gz LGVKPDXXKAHRGF-CQSZACIVSA-N 0 3 287.378 3.602 20 30 CHEDHN C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2CC)c([O-])c(OC)c1 ZINC000774620198 1122218773 /nfs/dbraw/zinc/21/87/73/1122218773.db2.gz VNVJJBWPCXDQJS-CJNGLKHVSA-N 0 3 289.419 3.750 20 30 CHEDHN C=CCc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c([O-])c(OC)c1 ZINC000774620198 1122218775 /nfs/dbraw/zinc/21/87/75/1122218775.db2.gz VNVJJBWPCXDQJS-CJNGLKHVSA-N 0 3 289.419 3.750 20 30 CHEDHN CCCCCCCCC[C@@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001258229789 1129041242 /nfs/dbraw/zinc/04/12/42/1129041242.db2.gz PJPUAFXZOYKISO-HZPDHXFCSA-N 0 3 295.471 3.617 20 30 CHEDHN CCCCCCCCC[C@@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001258229782 1129041317 /nfs/dbraw/zinc/04/13/17/1129041317.db2.gz PJPUAFXZOYKISO-CVEARBPZSA-N 0 3 295.471 3.617 20 30 CHEDHN C=C(C)COc1ccccc1CN1CC[C@H](OC(C)C)C1 ZINC001138665501 1129042185 /nfs/dbraw/zinc/04/21/85/1129042185.db2.gz NPUPIJBWJGFFOP-KRWDZBQOSA-N 0 3 289.419 3.641 20 30 CHEDHN C=C(C)CN(C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000514233074 1122390133 /nfs/dbraw/zinc/39/01/33/1122390133.db2.gz UXURYTPLFXDLIX-CQSZACIVSA-N 0 3 253.773 3.535 20 30 CHEDHN C=CCOc1cccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000430096289 1122403490 /nfs/dbraw/zinc/40/34/90/1122403490.db2.gz OXRZCHFUDVOROJ-JKSUJKDBSA-N 0 3 293.357 3.729 20 30 CHEDHN CC#CCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000514975665 1122467633 /nfs/dbraw/zinc/46/76/33/1122467633.db2.gz GAWWBWFQBCFBSH-LJQANCHMSA-N 0 3 279.383 3.592 20 30 CHEDHN CCCN(Cc1cc(C#N)ccn1)[C@H]1CCc2ccccc21 ZINC001190572579 1122544440 /nfs/dbraw/zinc/54/44/40/1122544440.db2.gz WEQKCSHRDIESTO-IBGZPJMESA-N 0 3 291.398 3.853 20 30 CHEDHN C=C1CCN(C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC001190848024 1122557196 /nfs/dbraw/zinc/55/71/96/1122557196.db2.gz SYNMQRVQCXUHDL-ZWKOTPCHSA-N 0 3 271.404 3.949 20 30 CHEDHN C[C@]1(c2ccccc2)CCCN(Cc2cc(C#N)ccn2)C1 ZINC001190944649 1122560849 /nfs/dbraw/zinc/56/08/49/1122560849.db2.gz OTHLQPZMFFEPOO-IBGZPJMESA-N 0 3 291.398 3.507 20 30 CHEDHN C=CCOCCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000516096144 1122568959 /nfs/dbraw/zinc/56/89/59/1122568959.db2.gz FPGRNNWZWZXNEQ-UHFFFAOYSA-N 0 3 274.191 3.628 20 30 CHEDHN Cc1ccc(CN(CC2(CC#N)CC2)C2CC2)cc1C ZINC001191164678 1122578680 /nfs/dbraw/zinc/57/86/80/1122578680.db2.gz JBLLAZKFTMYXKU-UHFFFAOYSA-N 0 3 268.404 3.962 20 30 CHEDHN C=CCCCCCN(C)[C@H]1CCN(C2CCCCC2)C1=O ZINC001191133854 1122579159 /nfs/dbraw/zinc/57/91/59/1122579159.db2.gz TXEICMLQEIVXLB-KRWDZBQOSA-N 0 3 292.467 3.598 20 30 CHEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC001192661918 1122655744 /nfs/dbraw/zinc/65/57/44/1122655744.db2.gz HLAMTLAUCDSPOP-GJZGRUSLSA-N 0 3 289.419 3.937 20 30 CHEDHN CC#CCN(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001193385552 1122688780 /nfs/dbraw/zinc/68/87/80/1122688780.db2.gz YBFJWRDLKDNEEM-NSHDSACASA-N 0 3 286.202 3.716 20 30 CHEDHN C=C(C)[C@H](NCC[C@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC001193574525 1122698435 /nfs/dbraw/zinc/69/84/35/1122698435.db2.gz HNTHTCOTEQTHGS-HOTGVXAUSA-N 0 3 283.362 3.579 20 30 CHEDHN CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1F ZINC000438497685 1122704356 /nfs/dbraw/zinc/70/43/56/1122704356.db2.gz WWCKOOCYVZLQQJ-CYBMUJFWSA-N 0 3 288.288 3.764 20 30 CHEDHN C=C(C)CN(CC)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426403051 1122786638 /nfs/dbraw/zinc/78/66/38/1122786638.db2.gz VBZBMOQKZNOVNW-UHFFFAOYSA-N 0 3 281.321 3.955 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc2c(c1)COC(C)(C)O2 ZINC000426567535 1122823929 /nfs/dbraw/zinc/82/39/29/1122823929.db2.gz WKJCRBUNOGVKMS-INIZCTEOSA-N 0 3 287.403 3.872 20 30 CHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccc(C#N)cc1 ZINC000266519942 1122937827 /nfs/dbraw/zinc/93/78/27/1122937827.db2.gz ZJMUYHKEDQFGKW-KBPBESRZSA-N 0 3 292.382 3.905 20 30 CHEDHN C#CCCN1CCC[C@]1(C)Cc1cc(F)c(F)c(F)c1 ZINC001197368872 1122955946 /nfs/dbraw/zinc/95/59/46/1122955946.db2.gz OCWCLXRGHBKXIJ-MRXNPFEDSA-N 0 3 281.321 3.524 20 30 CHEDHN C=CCCCN(CC)CC(=O)Nc1c(C)cc(C)cc1C ZINC001198457613 1122992194 /nfs/dbraw/zinc/99/21/94/1122992194.db2.gz FBHVYVOSRRUKRK-UHFFFAOYSA-N 0 3 288.435 3.838 20 30 CHEDHN C#C[C@@H]1CCCCN1Cc1ccccc1CC(C)C ZINC001198526378 1122996540 /nfs/dbraw/zinc/99/65/40/1122996540.db2.gz RSIFXNUXFRREOY-GOSISDBHSA-N 0 3 255.405 3.873 20 30 CHEDHN CCCCCCCN1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001201762577 1123148641 /nfs/dbraw/zinc/14/86/41/1123148641.db2.gz PYOKAYHUMRUMER-RCCFBDPRSA-N 0 3 295.467 3.615 20 30 CHEDHN CCCCCCCC[C@@H](O)CNCc1cncc(Cl)c1 ZINC001252141213 1123229115 /nfs/dbraw/zinc/22/91/15/1123229115.db2.gz XGCYTGUCRGFPLY-MRXNPFEDSA-N 0 3 298.858 3.936 20 30 CHEDHN CCCCCCCC[C@H](O)CNCc1ccc(O)cc1F ZINC001252141202 1123229682 /nfs/dbraw/zinc/22/96/82/1123229682.db2.gz XFKKODPMDAALJZ-INIZCTEOSA-N 0 3 297.414 3.732 20 30 CHEDHN CC(C)(NCc1ccc2c(c1)CCO2)c1cccc(C#N)c1 ZINC000850356100 1123255628 /nfs/dbraw/zinc/25/56/28/1123255628.db2.gz NHOKBBOURJPVMN-UHFFFAOYSA-N 0 3 292.382 3.518 20 30 CHEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850369086 1123258615 /nfs/dbraw/zinc/25/86/15/1123258615.db2.gz HJPVOCYJZDWQSJ-MOPGFXCFSA-N 0 3 295.382 3.519 20 30 CHEDHN C=CCCN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000850502980 1123276240 /nfs/dbraw/zinc/27/62/40/1123276240.db2.gz YHNOAOXMMYDXTI-SNVBAGLBSA-N 0 3 287.226 3.522 20 30 CHEDHN C[C@@H]1CCC[C@H](C)CN1Cc1cccc(F)c1C#N ZINC000428229457 1123284290 /nfs/dbraw/zinc/28/42/90/1123284290.db2.gz FTFYSOJQVVDNKG-QWHCGFSZSA-N 0 3 260.356 3.708 20 30 CHEDHN N#CC(C(=O)C1CC2(CC2)C1)c1ccc2ccccc2n1 ZINC000850741573 1123297881 /nfs/dbraw/zinc/29/78/81/1123297881.db2.gz LQGUJBFWJCOHMV-CQSZACIVSA-N 0 3 276.339 3.601 20 30 CHEDHN CCCOc1cc(C)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442762029 1123335775 /nfs/dbraw/zinc/33/57/75/1123335775.db2.gz DSIWIVAFEQFLBR-HOCLYGCPSA-N 0 3 272.392 3.566 20 30 CHEDHN COc1cc(CN2CCC[C@@H]2c2cccs2)ccc1C#N ZINC000442814018 1123341373 /nfs/dbraw/zinc/34/13/73/1123341373.db2.gz UJTAFOPHWDWPPN-OAHLLOKOSA-N 0 3 298.411 3.965 20 30 CHEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)CC2(CCCC2)O1 ZINC000443327894 1123386615 /nfs/dbraw/zinc/38/66/15/1123386615.db2.gz OLAGEZNTVHQJHX-UHFFFAOYSA-N 0 3 298.430 3.676 20 30 CHEDHN CCC[C@H](C)CCNCc1cc(C#N)cnc1Cl ZINC000895532392 1123488228 /nfs/dbraw/zinc/48/82/28/1123488228.db2.gz OOAXJMBKIGKHPD-NSHDSACASA-N 0 3 265.788 3.523 20 30 CHEDHN C=C(C)CN(C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930243636 1123501304 /nfs/dbraw/zinc/50/13/04/1123501304.db2.gz HWORTAMMPNZJOC-ZIAGYGMSSA-N 0 3 251.320 3.543 20 30 CHEDHN C=CCC1(O)CCN(Cc2cccc(SCC)c2)CC1 ZINC000895835350 1123520938 /nfs/dbraw/zinc/52/09/38/1123520938.db2.gz DQODPFQXKVPHER-UHFFFAOYSA-N 0 3 291.460 3.702 20 30 CHEDHN C#CCOc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000113339193 1123521581 /nfs/dbraw/zinc/52/15/81/1123521581.db2.gz DZUXENDBHXHXKL-IBGZPJMESA-N 0 3 295.357 3.615 20 30 CHEDHN C#CCOc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000113329852 1123521778 /nfs/dbraw/zinc/52/17/78/1123521778.db2.gz ODTVRDREQUNBQN-IBGZPJMESA-N 0 3 295.357 3.615 20 30 CHEDHN C=CCCCCNCc1csc(-c2ccccn2)n1 ZINC000274398866 1129131500 /nfs/dbraw/zinc/13/15/00/1129131500.db2.gz ACIBKJOMUJPADF-UHFFFAOYSA-N 0 3 273.405 3.651 20 30 CHEDHN CCC[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000194583293 1129136355 /nfs/dbraw/zinc/13/63/55/1129136355.db2.gz SZDUONFDKOXOJC-VXGBXAGGSA-N 0 3 270.332 3.830 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1CCC=CO1)c1ccc(F)c(F)c1 ZINC000194718277 1129138050 /nfs/dbraw/zinc/13/80/50/1129138050.db2.gz LYFXWFTXFPINHR-BBRMVZONSA-N 0 3 279.330 3.864 20 30 CHEDHN C=CC[C@H](C)N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000542496379 1123795863 /nfs/dbraw/zinc/79/58/63/1123795863.db2.gz NVAHQSVVJXZKPN-GUYCJALGSA-N 0 3 270.351 3.864 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000862444952 1123810893 /nfs/dbraw/zinc/81/08/93/1123810893.db2.gz JKQWKBWMDWYRDJ-GFCCVEGCSA-N 0 3 288.441 3.717 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000862444523 1123811538 /nfs/dbraw/zinc/81/15/38/1123811538.db2.gz BJRRPWDWLJTWSL-CQSZACIVSA-N 0 3 282.412 3.655 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1cccn1C ZINC000186262078 1123821584 /nfs/dbraw/zinc/82/15/84/1123821584.db2.gz REOURZMVNHNUTE-SFHVURJKSA-N 0 3 279.387 3.542 20 30 CHEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)[C@@H](CC)CO1 ZINC000403905528 1123836499 /nfs/dbraw/zinc/83/64/99/1123836499.db2.gz WSXWGOKXAUPHOX-LSDHHAIUSA-N 0 3 266.429 3.596 20 30 CHEDHN C[C@H](N[C@H]1CCCc2occc21)c1ccc(OCC#N)cc1 ZINC000192955799 1123868280 /nfs/dbraw/zinc/86/82/80/1123868280.db2.gz WWFDKLUPKHUWLX-GUYCJALGSA-N 0 3 296.370 3.910 20 30 CHEDHN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(OCC#N)cc1 ZINC000840874687 1123876549 /nfs/dbraw/zinc/87/65/49/1123876549.db2.gz AZZUIPJKOVUOAG-DAXOMENPSA-N 0 3 276.355 3.520 20 30 CHEDHN C=C[C@](C)(O)CNCc1cc(Cl)cc(Cl)c1Cl ZINC001252582930 1123900012 /nfs/dbraw/zinc/90/00/12/1123900012.db2.gz ZGGIRIVOCOWPSS-LBPRGKRZSA-N 0 3 294.609 3.673 20 30 CHEDHN CCC[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1[O-] ZINC000119742915 1123905514 /nfs/dbraw/zinc/90/55/14/1123905514.db2.gz HMOLSYOJUQEARI-UHFFFAOYSA-N 0 3 298.361 3.815 20 30 CHEDHN CCC[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1[O-] ZINC000119742915 1123905518 /nfs/dbraw/zinc/90/55/18/1123905518.db2.gz HMOLSYOJUQEARI-UHFFFAOYSA-N 0 3 298.361 3.815 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(ccnc2Cl)o1 ZINC000866379159 1124060349 /nfs/dbraw/zinc/06/03/49/1124060349.db2.gz IFOVJLHCZYVGTI-GARJFASQSA-N 0 3 289.766 3.824 20 30 CHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000034992046 1124096601 /nfs/dbraw/zinc/09/66/01/1124096601.db2.gz BUDAJPMLZPZTFS-ZDUSSCGKSA-N 0 3 284.334 3.579 20 30 CHEDHN N#CC(C(=O)CC/C=C/c1ccccc1)c1ccccn1 ZINC000121652418 1124098720 /nfs/dbraw/zinc/09/87/20/1124098720.db2.gz PXVAMBLZSZFNCS-IGKXFLDPSA-N 0 3 276.339 3.751 20 30 CHEDHN CC1(C)CCCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428436544 1124110828 /nfs/dbraw/zinc/11/08/28/1124110828.db2.gz QPGNLCDOVJSWPM-HNNXBMFYSA-N 0 3 260.356 3.756 20 30 CHEDHN Cc1ccccc1C[C@@H](C)N(C)Cc1ccccc1C#N ZINC000447100747 1124133361 /nfs/dbraw/zinc/13/33/61/1124133361.db2.gz VOVYVMAUIDFGLT-MRXNPFEDSA-N 0 3 278.399 3.930 20 30 CHEDHN CC(C)(NCc1cccn1C1CC1)c1cccc(C#N)c1 ZINC001119283094 1131248652 /nfs/dbraw/zinc/24/86/52/1131248652.db2.gz OJTLCHPNASRBPU-UHFFFAOYSA-N 0 3 279.387 3.720 20 30 CHEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(C)c(C#N)c1 ZINC001119708979 1131262631 /nfs/dbraw/zinc/26/26/31/1131262631.db2.gz KZJJEGCDFBKGKC-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000449194456 1124663796 /nfs/dbraw/zinc/66/37/96/1124663796.db2.gz PDHMYQLVLLTRSP-HUUCEWRRSA-N 0 3 290.455 3.961 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccco1 ZINC000872108411 1124685225 /nfs/dbraw/zinc/68/52/25/1124685225.db2.gz TZBUMFVBADDOLO-YHUYYLMFSA-N 0 3 275.392 3.834 20 30 CHEDHN C=CCC[C@@H](NCc1ncc(Cl)s1)C1CC1 ZINC000872114673 1124687356 /nfs/dbraw/zinc/68/73/56/1124687356.db2.gz AMUIFGKQOQUMOT-SNVBAGLBSA-N 0 3 256.802 3.631 20 30 CHEDHN C=CCCCC[C@H](C)NCc1noc2c1CCCC2 ZINC000449329608 1124690366 /nfs/dbraw/zinc/69/03/66/1124690366.db2.gz OUWYLFQZZQDOLJ-ZDUSSCGKSA-N 0 3 262.397 3.778 20 30 CHEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872131466 1124691254 /nfs/dbraw/zinc/69/12/54/1124691254.db2.gz UXHNZDQNJBNJQN-DMDPSCGWSA-N 0 3 297.324 3.833 20 30 CHEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872130992 1124691825 /nfs/dbraw/zinc/69/18/25/1124691825.db2.gz UXHNZDQNJBNJQN-MDZLAQPJSA-N 0 3 297.324 3.833 20 30 CHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872131468 1124691831 /nfs/dbraw/zinc/69/18/31/1124691831.db2.gz UXHNZDQNJBNJQN-GVXVVHGQSA-N 0 3 297.324 3.833 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2csc(-c3ccccc3)n2)C1 ZINC000449444948 1124741035 /nfs/dbraw/zinc/74/10/35/1124741035.db2.gz GBBIKBQMBMTBLO-ZFWWWQNUSA-N 0 3 297.427 3.982 20 30 CHEDHN CCC[C@@H](CC)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000873498357 1124773565 /nfs/dbraw/zinc/77/35/65/1124773565.db2.gz AAAFGARUPJFFHC-NEPJUHHUSA-N 0 3 270.332 3.830 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000020095602 1124805443 /nfs/dbraw/zinc/80/54/43/1124805443.db2.gz PTWQIFHNLPKGLC-GFCCVEGCSA-N 0 3 254.308 3.548 20 30 CHEDHN CC[C@@H]1CCCC[C@@H]1C(=O)C(C#N)c1ncc(F)cc1F ZINC001123381536 1131313082 /nfs/dbraw/zinc/31/30/82/1131313082.db2.gz KIRZNLLGUGXNBY-KGYLQXTDSA-N 0 3 292.329 3.752 20 30 CHEDHN C[C@](Cc1ccccc1)(NCc1nc(C#N)cs1)C1CC1 ZINC000449774962 1124867856 /nfs/dbraw/zinc/86/78/56/1124867856.db2.gz LOEHTYALZPZAJW-QGZVFWFLSA-N 0 3 297.427 3.516 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@H](c3ccccc3)CC2)n1 ZINC000876682150 1124970901 /nfs/dbraw/zinc/97/09/01/1124970901.db2.gz FZZIJHIVSCTXGU-KRWDZBQOSA-N 0 3 291.398 3.723 20 30 CHEDHN N#Cc1cnc(Cl)c(CNCCCCc2ccccc2)c1 ZINC000876909357 1124990606 /nfs/dbraw/zinc/99/06/06/1124990606.db2.gz YWTBQALRQQDWEO-UHFFFAOYSA-N 0 3 299.805 3.719 20 30 CHEDHN Cc1cccc(C)c1CCNCc1cc(C#N)cnc1Cl ZINC000877109931 1125010641 /nfs/dbraw/zinc/01/06/41/1125010641.db2.gz VFHKVBJJJVTHFF-UHFFFAOYSA-N 0 3 299.805 3.556 20 30 CHEDHN Cc1ccccc1C[C@H]1CCCN1CC1(C#N)CCC1 ZINC000450402020 1125013393 /nfs/dbraw/zinc/01/33/93/1125013393.db2.gz BFOXDDBSIMGUGS-QGZVFWFLSA-N 0 3 268.404 3.696 20 30 CHEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CCC(F)(F)C1 ZINC000450427819 1125015579 /nfs/dbraw/zinc/01/55/79/1125015579.db2.gz GMBIJIFSUBQLPR-GFCCVEGCSA-N 0 3 258.356 3.684 20 30 CHEDHN C#C[C@@H](N[C@@H](C)c1cc2cnccc2o1)C(C)(C)C ZINC000825939496 1125016800 /nfs/dbraw/zinc/01/68/00/1125016800.db2.gz BJHINQQQKKHXTI-XHDPSFHLSA-N 0 3 256.349 3.526 20 30 CHEDHN Cc1c(Cl)cccc1CN1CCC(CC#N)CC1 ZINC000877190879 1125019625 /nfs/dbraw/zinc/01/96/25/1125019625.db2.gz CMACNQIXOQCGFK-UHFFFAOYSA-N 0 3 262.784 3.774 20 30 CHEDHN Cc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c([O-])c1 ZINC000877619108 1125056007 /nfs/dbraw/zinc/05/60/07/1125056007.db2.gz OKPOOAVBFRIESJ-UHFFFAOYSA-N 0 3 292.382 3.741 20 30 CHEDHN C#CCCCCCCN1CCc2nc(C(C)C)ncc2C1 ZINC000877651321 1125057527 /nfs/dbraw/zinc/05/75/27/1125057527.db2.gz WSWBSZLDISZRSQ-UHFFFAOYSA-N 0 3 285.435 3.542 20 30 CHEDHN CC[C@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000877927620 1125102324 /nfs/dbraw/zinc/10/23/24/1125102324.db2.gz CMKJVOCGPROCDD-PKOBYXMFSA-N 0 3 298.430 3.549 20 30 CHEDHN N#CC1(CN[C@@H]2CCCC[C@H]2c2ccccc2)CCC1 ZINC000450754418 1125102634 /nfs/dbraw/zinc/10/26/34/1125102634.db2.gz CLUPDSUOMBMNRZ-DLBZAZTESA-N 0 3 268.404 3.996 20 30 CHEDHN CC1(C#N)CCN(C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878389718 1125147462 /nfs/dbraw/zinc/14/74/62/1125147462.db2.gz RBSIUZCWXPFTES-ROUUACIJSA-N 0 3 298.430 3.922 20 30 CHEDHN C[C@H](NC[C@@H]1CCC(C)(C)CO1)c1ccc(C#N)cc1F ZINC000878406650 1125150148 /nfs/dbraw/zinc/15/01/48/1125150148.db2.gz AEKISFLXHNOHCP-JSGCOSHPSA-N 0 3 290.382 3.553 20 30 CHEDHN CC(=O)[C@@](C#N)(CCN1CC(C)(C)C[C@@H]1C)c1ccccc1 ZINC000878712527 1125175068 /nfs/dbraw/zinc/17/50/68/1125175068.db2.gz YYCOEHCBSDHFQA-KXBFYZLASA-N 0 3 298.430 3.547 20 30 CHEDHN C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1[O-] ZINC000879649589 1125222798 /nfs/dbraw/zinc/22/27/98/1125222798.db2.gz WWJBAYVTWHDELZ-CYBMUJFWSA-N 0 3 260.381 3.763 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@](C)(C(F)(F)F)C1 ZINC000880000749 1125244035 /nfs/dbraw/zinc/24/40/35/1125244035.db2.gz KGLFGAVMPURHQQ-RISCZKNCSA-N 0 3 282.309 3.894 20 30 CHEDHN C=CCCC[C@@H](NCc1cnn(C)c1C)c1ccccc1 ZINC000880390313 1125272447 /nfs/dbraw/zinc/27/24/47/1125272447.db2.gz XYKZPTAJSKKNQJ-GOSISDBHSA-N 0 3 283.419 3.916 20 30 CHEDHN CC(C)(C)C1CCN(Cc2ccccc2C#N)CC1 ZINC000050346958 1125298276 /nfs/dbraw/zinc/29/82/76/1125298276.db2.gz SXTFMSKBYZTTAV-UHFFFAOYSA-N 0 3 256.393 3.816 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cncc(C)c2)c([O-])c1 ZINC000760227258 1125312047 /nfs/dbraw/zinc/31/20/47/1125312047.db2.gz MOUNNQGIRSRZLS-MOSHPQCFSA-N 0 3 297.402 3.561 20 30 CHEDHN Cc1csc([C@H](C)NCCCCC(C)(C)C#N)n1 ZINC000235506989 1125337672 /nfs/dbraw/zinc/33/76/72/1125337672.db2.gz GINMOQZTZNWPDJ-LBPRGKRZSA-N 0 3 265.426 3.822 20 30 CHEDHN C=CCCC[C@@H](NCc1ccc[nH]c1=O)c1ccccc1 ZINC000883239656 1125382277 /nfs/dbraw/zinc/38/22/77/1125382277.db2.gz PYLFWTILMLSAAL-QGZVFWFLSA-N 0 3 282.387 3.974 20 30 CHEDHN C=CCC[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1ccco1 ZINC000883357989 1125401097 /nfs/dbraw/zinc/40/10/97/1125401097.db2.gz YZWWKAKMCSGIAO-LSDHHAIUSA-N 0 3 275.392 3.978 20 30 CHEDHN N#Cc1csc(CNCc2ccc(C3CC3)cc2)c1 ZINC000191681508 1125417365 /nfs/dbraw/zinc/41/73/65/1125417365.db2.gz ITJVOTNPCJKCTD-UHFFFAOYSA-N 0 3 268.385 3.787 20 30 CHEDHN C=CCCCCCC[C@H](O)CNCc1ccncc1Cl ZINC001253255929 1125430269 /nfs/dbraw/zinc/43/02/69/1125430269.db2.gz OYPSNEMPDWKFOY-HNNXBMFYSA-N 0 3 296.842 3.712 20 30 CHEDHN Cc1nc2c(s1)[C@@H](NCc1cc(C#N)cs1)CCC2 ZINC000779989498 1129180791 /nfs/dbraw/zinc/18/07/91/1129180791.db2.gz YMUBRLVVMPPURP-LBPRGKRZSA-N 0 3 289.429 3.552 20 30 CHEDHN C=CC1CCN(Cc2ccnn2CCc2ccccc2)CC1 ZINC000621715736 1129185843 /nfs/dbraw/zinc/18/58/43/1129185843.db2.gz FGWNIGSISPENOE-UHFFFAOYSA-N 0 3 295.430 3.524 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccn1 ZINC000245959913 1129238751 /nfs/dbraw/zinc/23/87/51/1129238751.db2.gz XITHCBFKILDRGN-QXSJWSMHSA-N 0 3 282.387 3.864 20 30 CHEDHN C#CCN(CCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000741754279 1129451507 /nfs/dbraw/zinc/45/15/07/1129451507.db2.gz MXQZXJOBWGGPMD-KRWDZBQOSA-N 0 3 266.388 3.549 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@H](O)c1ccc(C)cc1 ZINC000743258199 1129516718 /nfs/dbraw/zinc/51/67/18/1129516718.db2.gz NAVXINBWPNLDHU-KRWDZBQOSA-N 0 3 287.428 3.778 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)SC)c([O-])c1 ZINC000743502536 1129528427 /nfs/dbraw/zinc/52/84/27/1129528427.db2.gz CRHIZPJLIPDXJC-GZTJUZNOSA-N 0 3 294.464 3.799 20 30 CHEDHN C[C@H](N(C)Cn1ccc(-c2ccc(C#N)cc2)n1)C(C)(C)C ZINC000744129141 1129554471 /nfs/dbraw/zinc/55/44/71/1129554471.db2.gz BTPVAOHIYXKUBJ-AWEZNQCLSA-N 0 3 296.418 3.746 20 30 CHEDHN C#CCN(CCOc1ccccc1C(C)=O)C1CCCCC1 ZINC000744212573 1129559902 /nfs/dbraw/zinc/55/99/02/1129559902.db2.gz OPWWAMPRHXMEIY-UHFFFAOYSA-N 0 3 299.414 3.536 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(Cc1cccc3ncccc13)C2 ZINC001137624556 1131386635 /nfs/dbraw/zinc/38/66/35/1131386635.db2.gz RKKKMTBSJDQDJQ-UHFFFAOYSA-N 0 3 299.377 3.665 20 30 CHEDHN COc1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000746124667 1129627306 /nfs/dbraw/zinc/62/73/06/1129627306.db2.gz QTWIEAGHZGSWCQ-ZDUSSCGKSA-N 0 3 298.361 3.899 20 30 CHEDHN CC(C)C[C@@H](Cc1ccccc1)N1CCC[C@@H](C#N)C1 ZINC001169078161 1129697921 /nfs/dbraw/zinc/69/79/21/1129697921.db2.gz MHSXMQLVBWLOFH-ROUUACIJSA-N 0 3 270.420 3.879 20 30 CHEDHN C=C(Br)CN(C)[C@@H]1CCCC[C@@H]1CC ZINC001169331194 1129718014 /nfs/dbraw/zinc/71/80/14/1129718014.db2.gz HMXIMEPEOFUXIA-NWDGAFQWSA-N 0 3 260.219 3.796 20 30 CHEDHN CC(C)(C)CN(CCC#N)CC[C@H]1CC1(Cl)Cl ZINC000822635285 1131393202 /nfs/dbraw/zinc/39/32/02/1131393202.db2.gz VAZWIZMPIWJFDU-NSHDSACASA-N 0 3 277.239 3.832 20 30 CHEDHN C=CC[C@H]1CC[C@@H](NCc2nc(C3CC3)cs2)C1 ZINC000651739339 1129747035 /nfs/dbraw/zinc/74/70/35/1129747035.db2.gz RPJPHHOMCIOUHC-WCQYABFASA-N 0 3 262.422 3.855 20 30 CHEDHN C#CCCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000766896286 1129769024 /nfs/dbraw/zinc/76/90/24/1129769024.db2.gz YSAGGSNEVIDSKW-CQSZACIVSA-N 0 3 270.401 3.847 20 30 CHEDHN Cc1nc2c(s1)[C@H](NCc1ccc(C#N)c(C)c1)CCC2 ZINC000767682963 1129808436 /nfs/dbraw/zinc/80/84/36/1129808436.db2.gz HLDJWWPIAXVBBS-OAHLLOKOSA-N 0 3 297.427 3.799 20 30 CHEDHN C=CCN(Cc1c(C)nn(C(C)(C)C)c1C)C(C)C ZINC000768550330 1129864866 /nfs/dbraw/zinc/86/48/66/1129864866.db2.gz LGLHVTMBTXMWLW-UHFFFAOYSA-N 0 3 263.429 3.651 20 30 CHEDHN COc1ccc(CN2CCC[C@@H]3CCCC[C@H]32)c(C#N)c1 ZINC001137704476 1131404586 /nfs/dbraw/zinc/40/45/86/1131404586.db2.gz HOJVVZOZTPQWGQ-KBXCAEBGSA-N 0 3 284.403 3.721 20 30 CHEDHN CC(C)[C@@H](NCCO[C@@H](C)C#N)c1ccccc1Cl ZINC000801940066 1129961872 /nfs/dbraw/zinc/96/18/72/1129961872.db2.gz UZIUSMXCMSLGKF-SWLSCSKDSA-N 0 3 280.799 3.555 20 30 CHEDHN C=CCC[C@H](NCc1nccs1)[C@@]1(C)CCCCO1 ZINC000902758045 1130053798 /nfs/dbraw/zinc/05/37/98/1130053798.db2.gz CCQYPJXWHDCFAO-DZGCQCFKSA-N 0 3 280.437 3.527 20 30 CHEDHN CC[C@@H](N[C@H](C)c1cccnc1)c1cccc(C#N)c1 ZINC000902726995 1130044688 /nfs/dbraw/zinc/04/46/88/1130044688.db2.gz WAQPQEZWCNOGBS-CXAGYDPISA-N 0 3 265.360 3.755 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cc(=O)oc2cc(CC)ccc12 ZINC000785997311 1130073269 /nfs/dbraw/zinc/07/32/69/1130073269.db2.gz LDWHNAFZZLACDW-INIZCTEOSA-N 0 3 297.398 3.896 20 30 CHEDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1cc(C#N)ccn1 ZINC000902890304 1130078643 /nfs/dbraw/zinc/07/86/43/1130078643.db2.gz ZMTRYXLZKIGSGA-BIENJYKASA-N 0 3 291.398 3.927 20 30 CHEDHN Cc1ccccc1C[C@H](NCC1(C#N)CCC1)C1CC1 ZINC000903035569 1130102819 /nfs/dbraw/zinc/10/28/19/1130102819.db2.gz RKQXCWKOVMVLHT-KRWDZBQOSA-N 0 3 268.404 3.600 20 30 CHEDHN C[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)C(C)(C)C1 ZINC000746677813 1130149194 /nfs/dbraw/zinc/14/91/94/1130149194.db2.gz FKZFGYPKUMVGDK-LBPRGKRZSA-N 0 3 292.810 3.863 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccncc1)C1CC1)CC2 ZINC000903428166 1130175752 /nfs/dbraw/zinc/17/57/52/1130175752.db2.gz MWMZJBZERRGLCJ-RBUKOAKNSA-N 0 3 289.382 3.681 20 30 CHEDHN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cccc(C#N)c1 ZINC000903428401 1130175988 /nfs/dbraw/zinc/17/59/88/1130175988.db2.gz OGWKFEJHODRVGO-SCLBCKFNSA-N 0 3 277.371 3.755 20 30 CHEDHN C=CC[C@@H](NCc1cc2ccccc2[nH]1)c1ccncc1 ZINC000788517038 1130192934 /nfs/dbraw/zinc/19/29/34/1130192934.db2.gz YVLIQTKPLVRYNY-QGZVFWFLSA-N 0 3 277.371 3.970 20 30 CHEDHN C=C(C)CNC(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000748444951 1130232697 /nfs/dbraw/zinc/23/26/97/1130232697.db2.gz WDJHWPWHJKSGLD-UHFFFAOYSA-N 0 3 297.398 3.959 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCSC2)c([O-])c1 ZINC000749008267 1130258221 /nfs/dbraw/zinc/25/82/21/1130258221.db2.gz UBAQXSZHPPUVJT-MPMPPSQCSA-N 0 3 292.448 3.553 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001254638169 1130266518 /nfs/dbraw/zinc/26/65/18/1130266518.db2.gz XIXOBYPDLGPVNN-RNCFNFMXSA-N 0 3 286.272 3.626 20 30 CHEDHN CC(C)CC(=NNc1nccn1C)c1ccc(Cl)cc1 ZINC000790302048 1130308558 /nfs/dbraw/zinc/30/85/58/1130308558.db2.gz LYSXDOXBTHUEFW-UHFFFAOYSA-N 0 3 290.798 3.936 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000791568635 1130382530 /nfs/dbraw/zinc/38/25/30/1130382530.db2.gz PQRDKYFRLHOLLC-QGZVFWFLSA-N 0 3 299.414 3.551 20 30 CHEDHN CCC#C[C@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000678797041 1130457017 /nfs/dbraw/zinc/45/70/17/1130457017.db2.gz BUPLAEJWKFJUQR-JKSUJKDBSA-N 0 3 270.420 3.739 20 30 CHEDHN N#CC1(c2ccccc2)CCC(N2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001170382792 1130490872 /nfs/dbraw/zinc/49/08/72/1130490872.db2.gz CZAPJBFMXHUHHE-HPNWABTKSA-N 0 3 298.405 3.680 20 30 CHEDHN CCCC[C@@H](CC)COCCCN[C@H](CC)CC#N ZINC001255155088 1130493774 /nfs/dbraw/zinc/49/37/74/1130493774.db2.gz LGTIXBQDJIAAQB-HZPDHXFCSA-N 0 3 268.445 3.891 20 30 CHEDHN CCCCCCOC(=O)CCCCCN[C@@H](CC)CC#N ZINC001255159561 1130512205 /nfs/dbraw/zinc/51/22/05/1130512205.db2.gz XTFAQKOXVFSNBW-INIZCTEOSA-N 0 3 296.455 3.952 20 30 CHEDHN CC[C@@H](CC#N)NCC1(Cc2ccc(F)cc2)CCC1 ZINC001255163505 1130528224 /nfs/dbraw/zinc/52/82/24/1130528224.db2.gz GNGKXKCKRQVEQY-INIZCTEOSA-N 0 3 274.383 3.820 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793389481 1130551455 /nfs/dbraw/zinc/55/14/55/1130551455.db2.gz ZKVHLQGHFMIKOI-AWEZNQCLSA-N 0 3 263.381 3.625 20 30 CHEDHN C=CCCCCC[C@H](C)N[C@H](C)c1nnc2ccccn21 ZINC000793515023 1130560988 /nfs/dbraw/zinc/56/09/88/1130560988.db2.gz HRBSPCPCIMPFQX-LSDHHAIUSA-N 0 3 286.423 3.905 20 30 CHEDHN C#C[C@@H](NCCCc1cnccc1C)c1ccc(Cl)cc1 ZINC000811516586 1130615826 /nfs/dbraw/zinc/61/58/26/1130615826.db2.gz QFWXCUISLGDUBU-GOSISDBHSA-N 0 3 298.817 3.940 20 30 CHEDHN C#C[C@H](NCCCc1ccc(C)nc1)c1ccc(Cl)cc1 ZINC000811516372 1130620451 /nfs/dbraw/zinc/62/04/51/1130620451.db2.gz MWOJSJNKPZLYID-SFHVURJKSA-N 0 3 298.817 3.940 20 30 CHEDHN C=C[C@@H](CCCC)Oc1cccc2c1CCN(C)C2 ZINC001234422317 1130642497 /nfs/dbraw/zinc/64/24/97/1130642497.db2.gz HVZJKXOMXCATTD-HNNXBMFYSA-N 0 3 259.393 3.798 20 30 CHEDHN C=C[C@@H](Oc1cccc2c1CCN(C)C2)c1ccccc1 ZINC001234425165 1130642960 /nfs/dbraw/zinc/64/29/60/1130642960.db2.gz VTMIAAZJNMJOJW-GOSISDBHSA-N 0 3 279.383 3.981 20 30 CHEDHN C[C@@H](Oc1cccc2c1CCN(C)C2)c1ccccc1C#N ZINC001234425815 1130643908 /nfs/dbraw/zinc/64/39/08/1130643908.db2.gz YPLVDZNZNPEJSZ-CQSZACIVSA-N 0 3 292.382 3.686 20 30 CHEDHN C[C@H]1CN(Cc2ccccc2CC#N)Cc2ccccc21 ZINC001235512074 1130750218 /nfs/dbraw/zinc/75/02/18/1130750218.db2.gz PAHRCUWGWIYFAH-HNNXBMFYSA-N 0 3 276.383 3.872 20 30 CHEDHN CCCCCCCN(CC)Cc1c(C)ncn1C ZINC001235543061 1130754765 /nfs/dbraw/zinc/75/47/65/1130754765.db2.gz LGKUQUWEGSLYIK-UHFFFAOYSA-N 0 3 251.418 3.521 20 30 CHEDHN C=CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccncc1 ZINC000783512382 1130833095 /nfs/dbraw/zinc/83/30/95/1130833095.db2.gz BMVVEPVNSAZSGV-BBRMVZONSA-N 0 3 268.360 3.755 20 30 CHEDHN CCC(=NN[C@H]1CCCC1(C)C)c1cccc(N)c1 ZINC000814918022 1130942929 /nfs/dbraw/zinc/94/29/29/1130942929.db2.gz YQFLIUJHTSBTPT-HNNXBMFYSA-N 0 3 259.397 3.551 20 30 CHEDHN Cc1cc(F)ccc1[C@H](C)NCc1ccc(C#N)cc1 ZINC000815560680 1130999926 /nfs/dbraw/zinc/99/99/26/1130999926.db2.gz MXGKTNZSHFYIAK-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(O)cc1OC(F)(F)F ZINC001236732089 1131000749 /nfs/dbraw/zinc/00/07/49/1131000749.db2.gz ZIZUNJQVNRUBBU-UHFFFAOYSA-N 0 3 289.297 3.689 20 30 CHEDHN C=C(Cl)CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000168837161 1131081117 /nfs/dbraw/zinc/08/11/17/1131081117.db2.gz VAKNEAQFRISTPH-MWLCHTKSSA-N 0 3 251.757 3.591 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccccc2NC(=O)C(C)(C)C)C1 ZINC001237399075 1131093543 /nfs/dbraw/zinc/09/35/43/1131093543.db2.gz MCUYQEBECCHLIK-HNNXBMFYSA-N 0 3 298.430 3.516 20 30 CHEDHN CCCCN(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC001237461860 1131101658 /nfs/dbraw/zinc/10/16/58/1131101658.db2.gz DUUUBKYRNLYQFY-UHFFFAOYSA-N 0 3 279.387 3.756 20 30 CHEDHN Cn1cc(CN2CCC[C@@H]3CCC[C@H]32)c2cc(C#N)ccc21 ZINC001237473714 1131102634 /nfs/dbraw/zinc/10/26/34/1131102634.db2.gz RVIQIPYOKJKOKT-MAUKXSAKSA-N 0 3 293.414 3.814 20 30 CHEDHN Cn1cc(CN2CC[C@H]3CCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237468456 1131102673 /nfs/dbraw/zinc/10/26/73/1131102673.db2.gz NAAQYJRNMFZMLS-HZPDHXFCSA-N 0 3 293.414 3.672 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC001170836347 1131113854 /nfs/dbraw/zinc/11/38/54/1131113854.db2.gz QQGSCSHFIAVQCL-QZTJIDSGSA-N 0 3 298.430 3.565 20 30 CHEDHN C#C[C@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000816615770 1131115264 /nfs/dbraw/zinc/11/52/64/1131115264.db2.gz FPQWLOAIIDIGPV-UGSOOPFHSA-N 0 3 299.801 3.941 20 30 CHEDHN C=CCCN(Cc1c[nH]nc1CC)Cc1ccccc1 ZINC001237651504 1131124886 /nfs/dbraw/zinc/12/48/86/1131124886.db2.gz SNVFYLFNIWVIFU-UHFFFAOYSA-N 0 3 269.392 3.550 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CCC3(CCCC3)C2)c1 ZINC001237751269 1131138012 /nfs/dbraw/zinc/13/80/12/1131138012.db2.gz HKYSAOZYVQJGBJ-UHFFFAOYSA-N 0 3 274.795 3.978 20 30 CHEDHN COCC[C@@H]1CCCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237757844 1131139965 /nfs/dbraw/zinc/13/99/65/1131139965.db2.gz VVLAKTXCPCBQPB-INIZCTEOSA-N 0 3 292.810 3.603 20 30 CHEDHN N#Cc1cccc(CN2CCC(Nc3ccccc3)CC2)c1 ZINC001116348439 1131140851 /nfs/dbraw/zinc/14/08/51/1131140851.db2.gz DNQSHHKMZHUMLZ-UHFFFAOYSA-N 0 3 291.398 3.635 20 30 CHEDHN CC(C)C1=NCCc2ccc(CN3CCCC[C@H]3C#N)cc21 ZINC001237884835 1131148298 /nfs/dbraw/zinc/14/82/98/1131148298.db2.gz FOAUAELNEWAMPL-KRWDZBQOSA-N 0 3 295.430 3.566 20 30 CHEDHN C=CCCCCN(C)Cc1ccccc1C(=O)OCC ZINC001237891704 1131149201 /nfs/dbraw/zinc/14/92/01/1131149201.db2.gz KVNWMVHQGNXDET-UHFFFAOYSA-N 0 3 275.392 3.651 20 30 CHEDHN C=C[C@@H](COC)NCc1ccc(-c2ccccc2)cc1 ZINC001116640581 1131159396 /nfs/dbraw/zinc/15/93/96/1131159396.db2.gz UAZPQTUAHKMLNO-SFHVURJKSA-N 0 3 267.372 3.644 20 30 CHEDHN COCC[C@H]1CCCCN1Cc1ccc(C#N)cc1Cl ZINC001238085752 1131169168 /nfs/dbraw/zinc/16/91/68/1131169168.db2.gz KYFKFQMLGWQXFP-OAHLLOKOSA-N 0 3 292.810 3.603 20 30 CHEDHN C=CCN(C)Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001238129925 1131172456 /nfs/dbraw/zinc/17/24/56/1131172456.db2.gz KQIPWJWQKBOBFF-UHFFFAOYSA-N 0 3 290.407 3.676 20 30 CHEDHN CC[C@@H]1CCCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238193150 1131180010 /nfs/dbraw/zinc/18/00/10/1131180010.db2.gz YPGLAZNKEIXVAN-CQSZACIVSA-N 0 3 262.784 3.976 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(Cl)c(C)c2C)C1 ZINC001238218110 1131183085 /nfs/dbraw/zinc/18/30/85/1131183085.db2.gz JGXCAARVFJEYMN-AWEZNQCLSA-N 0 3 261.796 3.802 20 30 CHEDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1[O-] ZINC000818357014 1131211691 /nfs/dbraw/zinc/21/16/91/1131211691.db2.gz UPOCANDTIICXFT-GMXVVIOVSA-N 0 3 278.783 3.697 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238559360 1131215831 /nfs/dbraw/zinc/21/58/31/1131215831.db2.gz UVRRUIRTYLUPBD-HNNXBMFYSA-N 0 3 294.373 3.733 20 30 CHEDHN C#C[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC001118400533 1131223443 /nfs/dbraw/zinc/22/34/43/1131223443.db2.gz NFGQSHVRQLLAJN-ZDUSSCGKSA-N 0 3 299.805 3.575 20 30 CHEDHN C=C(CC)CNCc1cc(C)ccc1OC(F)F ZINC001202811534 1131422277 /nfs/dbraw/zinc/42/22/77/1131422277.db2.gz GUTZSDIHMFBGBK-UHFFFAOYSA-N 0 3 255.308 3.652 20 30 CHEDHN C=C(Br)CN[C@H](C)Cc1coc2ccccc12 ZINC000823818773 1131442258 /nfs/dbraw/zinc/44/22/58/1131442258.db2.gz SBFNPFFRAOGQSI-LLVKDONJSA-N 0 3 294.192 3.862 20 30 CHEDHN CCCCCCCN(C)Cc1cc(O)cc(O)c1 ZINC001138328600 1131492584 /nfs/dbraw/zinc/49/25/84/1131492584.db2.gz PGNVZERWUTVCIL-UHFFFAOYSA-N 0 3 251.370 3.500 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1cnc(CC)o1 ZINC000825079467 1131498743 /nfs/dbraw/zinc/49/87/43/1131498743.db2.gz VFXAICKVTBRBGO-ZDUSSCGKSA-N 0 3 250.386 3.852 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cnc(OC)c(C)c1 ZINC001137004836 1131502473 /nfs/dbraw/zinc/50/24/73/1131502473.db2.gz OVQDYIJRHGTSQV-UHFFFAOYSA-N 0 3 296.414 3.977 20 30 CHEDHN C#Cc1cccc(CNCc2cccn2CCC(C)C)c1 ZINC000825225886 1131502899 /nfs/dbraw/zinc/50/28/99/1131502899.db2.gz AZNNUBCVLIXYGG-UHFFFAOYSA-N 0 3 280.415 3.805 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCCNc3ccccc32)c1 ZINC000825226516 1131503032 /nfs/dbraw/zinc/50/30/32/1131503032.db2.gz HXWAFIVFRIJPOC-IBGZPJMESA-N 0 3 276.383 3.705 20 30 CHEDHN CCCc1ccc(CN2CCC[C@H](C#N)CC2)s1 ZINC001138525496 1131516398 /nfs/dbraw/zinc/51/63/98/1131516398.db2.gz DODHCUXMRVJNNI-ZDUSSCGKSA-N 0 3 262.422 3.826 20 30 CHEDHN Cc1ccc(C(F)(F)F)c(CN2CCC(S)CC2)c1 ZINC001143680415 1131523584 /nfs/dbraw/zinc/52/35/84/1131523584.db2.gz AWSIVOOUGGYFND-UHFFFAOYSA-N 0 3 289.366 3.908 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)Cc2cccc(F)c2)c1[O-] ZINC001138625849 1131527827 /nfs/dbraw/zinc/52/78/27/1131527827.db2.gz UXCUJLASBTUNCM-UHFFFAOYSA-N 0 3 285.362 3.892 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)Cc2cccc(F)c2)c1[O-] ZINC001138625849 1131527830 /nfs/dbraw/zinc/52/78/30/1131527830.db2.gz UXCUJLASBTUNCM-UHFFFAOYSA-N 0 3 285.362 3.892 20 30 CHEDHN C=CCc1cccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC001138625840 1131527971 /nfs/dbraw/zinc/52/79/71/1131527971.db2.gz URHFCQPWGXXOGN-HZPDHXFCSA-N 0 3 271.404 3.743 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC[C@H](OCC)C1 ZINC001138664703 1131533773 /nfs/dbraw/zinc/53/37/73/1131533773.db2.gz VPXATWDAAXKQPM-KRWDZBQOSA-N 0 3 289.419 3.642 20 30 CHEDHN C=C(C)COc1ccccc1CN(C)CCc1ccncc1 ZINC001138664860 1131533992 /nfs/dbraw/zinc/53/39/92/1131533992.db2.gz YEOKABIXMZSTPE-UHFFFAOYSA-N 0 3 296.414 3.711 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCCOC(C)(C)C1 ZINC001138665320 1131534285 /nfs/dbraw/zinc/53/42/85/1131534285.db2.gz MSIUSKWDEMEMKT-UHFFFAOYSA-N 0 3 289.419 3.642 20 30 CHEDHN CCCCOc1cccc(CN2CCC[C@@H](C#N)CC2)c1 ZINC001138956782 1131565464 /nfs/dbraw/zinc/56/54/64/1131565464.db2.gz RQZOLKDDMVVCAE-MRXNPFEDSA-N 0 3 286.419 3.991 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(F)cc(Br)c1 ZINC001139178316 1131591243 /nfs/dbraw/zinc/59/12/43/1131591243.db2.gz UNBHDTHUVHMEGS-UHFFFAOYSA-N 0 3 286.188 3.986 20 30 CHEDHN C[C@@H]1CN(Cc2c[nH]c3c2cccc3C#N)CCC1(F)F ZINC001139701870 1131629887 /nfs/dbraw/zinc/62/98/87/1131629887.db2.gz RCEGIYCOUXCENT-LLVKDONJSA-N 0 3 289.329 3.517 20 30 CHEDHN C[C@]1(F)CCCCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701118 1131630475 /nfs/dbraw/zinc/63/04/75/1131630475.db2.gz AYRVQZJZLUXUCD-KRWDZBQOSA-N 0 3 285.366 3.754 20 30 CHEDHN Cc1csc([C@H](C)N[C@H](C)Cc2cccc(C#N)c2)n1 ZINC001171181300 1131633303 /nfs/dbraw/zinc/63/33/03/1131633303.db2.gz JIFGDESRZKPCGV-YPMHNXCESA-N 0 3 285.416 3.605 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](CF)c1ccccc1 ZINC001171189440 1131639620 /nfs/dbraw/zinc/63/96/20/1131639620.db2.gz GEJDFGFVAGVVHF-RDTXWAMCSA-N 0 3 282.362 3.790 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H]3c3ccccc3)c2c1 ZINC001140115037 1131665371 /nfs/dbraw/zinc/66/53/71/1131665371.db2.gz KOKJZKFXCBSFSQ-IBGZPJMESA-N 0 3 287.366 3.987 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001140171707 1131671456 /nfs/dbraw/zinc/67/14/56/1131671456.db2.gz UTHRJLYLIAMQCK-UHFFFAOYSA-N 0 3 291.398 3.874 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2sc(CC)nc2C)c1 ZINC000834902125 1131725366 /nfs/dbraw/zinc/72/53/66/1131725366.db2.gz FIWHJBFQUXXHBK-LBPRGKRZSA-N 0 3 284.428 3.846 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2cccc(OCC)c2)c1 ZINC000834903806 1131726449 /nfs/dbraw/zinc/72/64/49/1131726449.db2.gz SJQUHOWLZQFCLS-HNNXBMFYSA-N 0 3 279.383 3.917 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCCc3sccc32)c1 ZINC000834902112 1131727659 /nfs/dbraw/zinc/72/76/59/1131727659.db2.gz DXIZZHIFIRJAOA-INIZCTEOSA-N 0 3 267.397 3.897 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000847025174 1131773205 /nfs/dbraw/zinc/77/32/05/1131773205.db2.gz BWYQCRYHXSRSJF-CQSZACIVSA-N 0 3 282.412 3.655 20 30 CHEDHN C[C@H]1CCCCN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140599719 1131819877 /nfs/dbraw/zinc/81/98/77/1131819877.db2.gz NZDOVGAEIQFNAW-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCOCCCN1CCC(c2ncccc2Cl)CC1 ZINC000348169113 1131899002 /nfs/dbraw/zinc/89/90/02/1131899002.db2.gz OVNZXQLKKROPLX-UHFFFAOYSA-N 0 3 294.826 3.507 20 30 CHEDHN N#C[C@H]1CCCN(Cc2coc3ccccc23)CC1 ZINC001140786927 1131918713 /nfs/dbraw/zinc/91/87/13/1131918713.db2.gz QFZQZWAZXNXDSW-ZDUSSCGKSA-N 0 3 254.333 3.558 20 30 CHEDHN CC[C@H]1CCCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140810134 1131932146 /nfs/dbraw/zinc/93/21/46/1131932146.db2.gz VZMHACREZIYOHM-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(Br)cc1C ZINC001140816981 1131934219 /nfs/dbraw/zinc/93/42/19/1131934219.db2.gz CQLWKPZCIHYCOG-UHFFFAOYSA-N 0 3 280.209 3.932 20 30 CHEDHN C=CCC[C@H](CC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228945899 1131983865 /nfs/dbraw/zinc/98/38/65/1131983865.db2.gz XNERTRVVFLLEIV-INIZCTEOSA-N 0 3 259.393 3.798 20 30 CHEDHN CN(Cc1sc(N)c(C#N)c1Cl)CC1CCCCC1 ZINC001141114295 1132022406 /nfs/dbraw/zinc/02/24/06/1132022406.db2.gz KURYCUWOCJAFNU-UHFFFAOYSA-N 0 3 297.855 3.867 20 30 CHEDHN CN(C)Cc1ccccc1O[C@@H](C#N)c1cccc(F)c1 ZINC001229701965 1132107385 /nfs/dbraw/zinc/10/73/85/1132107385.db2.gz NBJNRGYPSUFAPH-KRWDZBQOSA-N 0 3 284.334 3.531 20 30 CHEDHN Cc1csc([C@@H](C)N[C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172294807 1132166115 /nfs/dbraw/zinc/16/61/15/1132166115.db2.gz NAIUXZQCLTVGDD-WCQYABFASA-N 0 3 285.416 3.605 20 30 CHEDHN CC(C)(CC#N)CNCc1ccccc1N1CCCCC1 ZINC000839164072 1132187166 /nfs/dbraw/zinc/18/71/66/1132187166.db2.gz XTAUESIMDRSJBZ-UHFFFAOYSA-N 0 3 285.435 3.706 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141586010 1132192111 /nfs/dbraw/zinc/19/21/11/1132192111.db2.gz NNIJJYQZGXQBCL-LBPRGKRZSA-N 0 3 287.794 3.947 20 30 CHEDHN COc1ccc(-c2nc(CN[C@@H](C)CCCC#N)co2)cc1 ZINC001172487424 1132227206 /nfs/dbraw/zinc/22/72/06/1132227206.db2.gz HMTUHRZFCLBWRN-ZDUSSCGKSA-N 0 3 299.374 3.522 20 30 CHEDHN C[C@H](CCCC#N)N[C@@H](c1ncccc1Cl)C1CC1 ZINC001172491133 1132246904 /nfs/dbraw/zinc/24/69/04/1132246904.db2.gz DKAWDSJJYBWLFZ-BXUZGUMPSA-N 0 3 277.799 3.858 20 30 CHEDHN C[C@@H](CCCC#N)N1CCc2ccc(Cl)cc2C1 ZINC001172490966 1132247254 /nfs/dbraw/zinc/24/72/54/1132247254.db2.gz BAYMQVZEDJOFHB-LBPRGKRZSA-N 0 3 262.784 3.780 20 30 CHEDHN C[C@H](CCCC#N)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001172491889 1132247424 /nfs/dbraw/zinc/24/74/24/1132247424.db2.gz HSSMRNZJYFGAOS-CQSZACIVSA-N 0 3 291.826 3.544 20 30 CHEDHN CCCCCCC[C@H](CCC)N1C[C@H]2C[C@@H](C1)O2 ZINC001172510996 1132258614 /nfs/dbraw/zinc/25/86/14/1132258614.db2.gz LLTVXDXUVDOTNQ-HRCADAONSA-N 0 3 253.430 3.989 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cnccc2C)c([O-])c1 ZINC000840709917 1132274458 /nfs/dbraw/zinc/27/44/58/1132274458.db2.gz OZPGGXPQFKAJRX-RGVLZGJSSA-N 0 3 297.402 3.561 20 30 CHEDHN CC[C@@H](CC#N)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539548 1132275794 /nfs/dbraw/zinc/27/57/94/1132275794.db2.gz IEMXBYRSUFHAHW-IKGGRYGDSA-N 0 3 256.393 3.995 20 30 CHEDHN C=CCCCCN(C)Cc1cc(Br)c[nH]1 ZINC001231577767 1132317418 /nfs/dbraw/zinc/31/74/18/1132317418.db2.gz BJPHMWIONFAZOQ-UHFFFAOYSA-N 0 3 271.202 3.565 20 30 CHEDHN C#Cc1cccc(CN2CCc3ccccc3[C@@H]2C)c1 ZINC001231658182 1132338963 /nfs/dbraw/zinc/33/89/63/1132338963.db2.gz QVEQLTFUFZADRT-HNNXBMFYSA-N 0 3 261.368 3.787 20 30 CHEDHN CCCC[C@@H](CC(C)C)NC(=N)c1ccc(F)cn1 ZINC001173248794 1132420606 /nfs/dbraw/zinc/42/06/06/1132420606.db2.gz GEQIVEZWCMSSFX-ZDUSSCGKSA-N 0 3 265.376 3.531 20 30 CHEDHN C[C@H]1CCCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232112623 1132424263 /nfs/dbraw/zinc/42/42/63/1132424263.db2.gz ZTLNIERGMQGWJH-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@H]32)cc1Cl ZINC001232115130 1132424528 /nfs/dbraw/zinc/42/45/28/1132424528.db2.gz FDYMPZIWWHHYIR-CZUORRHYSA-N 0 3 274.795 3.976 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC001232115131 1132424737 /nfs/dbraw/zinc/42/47/37/1132424737.db2.gz FDYMPZIWWHHYIR-XJKSGUPXSA-N 0 3 274.795 3.976 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccnc2c(F)cccc12 ZINC001232211820 1132437732 /nfs/dbraw/zinc/43/77/32/1132437732.db2.gz LCEBLBYTDDNSJV-XMQYKBBCSA-N 0 3 295.361 3.640 20 30 CHEDHN CCCCCCCN(CC)Cc1cc(C#N)ccn1 ZINC001232481283 1132477792 /nfs/dbraw/zinc/47/77/92/1132477792.db2.gz YKXCCNWRGKYNNU-UHFFFAOYSA-N 0 3 259.397 3.746 20 30 CHEDHN N#CCC1CCN(Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001232732432 1132509171 /nfs/dbraw/zinc/50/91/71/1132509171.db2.gz RPYNTLXCHQYKMK-UHFFFAOYSA-N 0 3 287.794 3.947 20 30 CHEDHN COc1cc(C)cc(CN(C)Cc2cccc(C#N)c2)c1 ZINC001143160745 1132510059 /nfs/dbraw/zinc/51/00/59/1132510059.db2.gz SLXNACMGSRZKHW-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN N#Cc1ccc(CN2CCCC3(CC(F)C3)CC2)s1 ZINC001232845868 1132528274 /nfs/dbraw/zinc/52/82/74/1132528274.db2.gz UILGZVGKOOXHCJ-UHFFFAOYSA-N 0 3 278.396 3.724 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232889596 1132537003 /nfs/dbraw/zinc/53/70/03/1132537003.db2.gz IAWOOADZGFXPJM-OAHLLOKOSA-N 0 3 294.373 3.733 20 30 CHEDHN CC[C@@H](c1ccccc1)N(C)Cc1cccc(C#N)n1 ZINC001232925260 1132543974 /nfs/dbraw/zinc/54/39/74/1132543974.db2.gz AGECPZOKBZVWGT-KRWDZBQOSA-N 0 3 265.360 3.536 20 30 CHEDHN Cc1ccc(CCN(C)Cc2ccc(C)cc2C#N)cc1 ZINC001232966471 1132553195 /nfs/dbraw/zinc/55/31/95/1132553195.db2.gz MXSKZKROOIKZDZ-UHFFFAOYSA-N 0 3 278.399 3.850 20 30 CHEDHN CC[C@@H]1CCCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101612 1132571783 /nfs/dbraw/zinc/57/17/83/1132571783.db2.gz BCTZVBKWPTUSFZ-CQSZACIVSA-N 0 3 289.398 3.528 20 30 CHEDHN C=CCN(Cc1cc(C)ns1)C1CCCCC1 ZINC001233313423 1132599928 /nfs/dbraw/zinc/59/99/28/1132599928.db2.gz VXXYARYWCIPBQF-UHFFFAOYSA-N 0 3 250.411 3.772 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc2cccnc2s1 ZINC001233349015 1132608390 /nfs/dbraw/zinc/60/83/90/1132608390.db2.gz ZXYRDTCQLQSZFF-DEZZGGKRSA-N 0 3 283.400 3.563 20 30 CHEDHN Cc1cc(C#N)c(F)cc1Nc1ccccc1CN(C)C ZINC001173931342 1132644787 /nfs/dbraw/zinc/64/47/87/1132644787.db2.gz ZJACNLNOIKOSQU-UHFFFAOYSA-N 0 3 283.350 3.811 20 30 CHEDHN CN(C)Cc1ccccc1Nc1ccc(F)cc1C#N ZINC001173932133 1132646791 /nfs/dbraw/zinc/64/67/91/1132646791.db2.gz OPEBHWICCWRFBD-UHFFFAOYSA-N 0 3 269.323 3.503 20 30 CHEDHN C=CCCCCCCCCN1CCC(F)(F)[C@@H](N)C1 ZINC001206654300 1132650397 /nfs/dbraw/zinc/65/03/97/1132650397.db2.gz AZIYWOIGNDRDTD-AWEZNQCLSA-N 0 3 274.399 3.571 20 30 CHEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)sc1C ZINC001233686462 1132664761 /nfs/dbraw/zinc/66/47/61/1132664761.db2.gz XIYOADWUDCNCJY-UHFFFAOYSA-N 0 3 270.401 3.869 20 30 CHEDHN C#Cc1ccccc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174394766 1132809895 /nfs/dbraw/zinc/80/98/95/1132809895.db2.gz MJUBGLJKXHCBCQ-UHFFFAOYSA-N 0 3 288.394 3.870 20 30 CHEDHN CC(=O)C=C(C)Nc1cc(CN2CCCCC2)ccc1C ZINC001163741762 1133170493 /nfs/dbraw/zinc/17/04/93/1133170493.db2.gz FZJXLHSKZWOSSC-PTNGSMBKSA-N 0 3 286.419 3.886 20 30 CHEDHN C=CC(C)(C)CCCNCc1c(OC)cccc1OC ZINC001203572848 1133341922 /nfs/dbraw/zinc/34/19/22/1133341922.db2.gz QNBJFBZKFFSIRH-UHFFFAOYSA-N 0 3 277.408 3.786 20 30 CHEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC001204015707 1133400230 /nfs/dbraw/zinc/40/02/30/1133400230.db2.gz JJLFZVFHUHSQHQ-INIZCTEOSA-N 0 3 298.411 3.663 20 30 CHEDHN Cc1[nH]c2ccccc2c1CN(C)Cc1cccc(C#N)c1 ZINC001204293308 1133430715 /nfs/dbraw/zinc/43/07/15/1133430715.db2.gz XGOSFWTVAZHSNE-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN CC(C)Oc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001204454944 1133448296 /nfs/dbraw/zinc/44/82/96/1133448296.db2.gz KXMABFREDBJCMR-OAHLLOKOSA-N 0 3 272.392 3.599 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2ccccc2n1 ZINC001204505509 1133455146 /nfs/dbraw/zinc/45/51/46/1133455146.db2.gz IVWBIVAPMWDIFC-FFGGFLGDSA-N 0 3 277.371 3.501 20 30 CHEDHN CC[C@@H](NCC#Cc1ccccc1)c1ccc(F)cc1 ZINC001204938172 1133503385 /nfs/dbraw/zinc/50/33/85/1133503385.db2.gz PGAMESNTBCYSEL-GOSISDBHSA-N 0 3 267.347 3.918 20 30 CHEDHN C#CCCCCCCN1CCN(Cc2cccc(C)c2)CC1 ZINC001205089908 1133527438 /nfs/dbraw/zinc/52/74/38/1133527438.db2.gz YCXJRTMZROUFLX-UHFFFAOYSA-N 0 3 298.474 3.696 20 30 CHEDHN C#C[C@H](N[C@H](C)[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1 ZINC001205980613 1133638350 /nfs/dbraw/zinc/63/83/50/1133638350.db2.gz QCTXEYKAAFLAHL-HSHDSVGOSA-N 0 3 257.352 3.524 20 30 CHEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@H]1COc2ccccc2C1 ZINC001206694926 1133733688 /nfs/dbraw/zinc/73/36/88/1133733688.db2.gz ROBLKNVRTRHPQS-NVXWUHKLSA-N 0 3 298.430 3.690 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H](C3CCCCC3)C2)n1 ZINC001206790741 1133750100 /nfs/dbraw/zinc/75/01/00/1133750100.db2.gz WKSBTEMPDSRQRG-MRXNPFEDSA-N 0 3 283.419 3.746 20 30 CHEDHN Cc1ccnc(CN2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001206854516 1133757803 /nfs/dbraw/zinc/75/78/03/1133757803.db2.gz IMDUEHPCZGBOBL-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN Cc1ncsc1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001206989556 1133758316 /nfs/dbraw/zinc/75/83/16/1133758316.db2.gz IHZGDQUVBGZMFY-UHFFFAOYSA-N 0 3 297.427 3.703 20 30 CHEDHN CCCCCCCCN(C)Cc1cncc(OC)c1 ZINC001206995222 1133758545 /nfs/dbraw/zinc/75/85/45/1133758545.db2.gz NVNKPUVOJCPBTD-UHFFFAOYSA-N 0 3 264.413 3.883 20 30 CHEDHN N#CCCN(Cc1cc[nH]c(=O)c1)C1CCCCCCC1 ZINC001207122348 1133768974 /nfs/dbraw/zinc/76/89/74/1133768974.db2.gz KRBGCKHNLZQVER-UHFFFAOYSA-N 0 3 287.407 3.616 20 30 CHEDHN Cc1noc(C)c1CN1CCC(C#Cc2ccccc2)CC1 ZINC001207139617 1133771342 /nfs/dbraw/zinc/77/13/42/1133771342.db2.gz YJSVTEVAGGQYDM-UHFFFAOYSA-N 0 3 294.398 3.555 20 30 CHEDHN Cc1ncccc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001207154611 1133771355 /nfs/dbraw/zinc/77/13/55/1133771355.db2.gz QIZQIIVCJRXYNM-UHFFFAOYSA-N 0 3 290.410 3.654 20 30 CHEDHN C=CCCCCCCCCCN1C[C@H](F)C[C@H]1CO ZINC001207896978 1133856490 /nfs/dbraw/zinc/85/64/90/1133856490.db2.gz YBYXKQMGBLTXBF-CVEARBPZSA-N 0 3 271.420 3.698 20 30 CHEDHN C=CCCCCCCCCCN1CC[C@](F)(CO)C1 ZINC001207897029 1133856747 /nfs/dbraw/zinc/85/67/47/1133856747.db2.gz ZDFXBHTWOWGZIM-MRXNPFEDSA-N 0 3 271.420 3.700 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@@H](C)[C@H](F)C2)CC1 ZINC001208170903 1133894959 /nfs/dbraw/zinc/89/49/59/1133894959.db2.gz NWHAHJVXZVCLQO-FVQBIDKESA-N 0 3 251.389 3.969 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN2CCOC[C@@H]2C(C)C)CC1 ZINC001208176378 1133897259 /nfs/dbraw/zinc/89/72/59/1133897259.db2.gz CILXKVIMGSEIHN-IAGOWNOFSA-N 0 3 263.425 3.646 20 30 CHEDHN COC(C)(C)CCC[C@@H](C)CCN1CC[C@](C)(C#N)C1 ZINC001208214517 1133908885 /nfs/dbraw/zinc/90/88/85/1133908885.db2.gz TZWCHOKELLUWJQ-NVXWUHKLSA-N 0 3 280.456 3.843 20 30 CHEDHN N#Cc1ccc2c(c1)CN(CCc1ccc(Cl)cc1)CC2 ZINC001208737448 1133939561 /nfs/dbraw/zinc/93/95/61/1133939561.db2.gz XZZCWTDWGVVOMA-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN CCCN(CCC#N)CCCCCOCc1ccccc1 ZINC001208812142 1133947849 /nfs/dbraw/zinc/94/78/49/1133947849.db2.gz CAZWLDQAZOLLQI-UHFFFAOYSA-N 0 3 288.435 3.999 20 30 CHEDHN C#CC1CCN(CCc2ccc(Cl)cc2Cl)CC1 ZINC001209082699 1133974674 /nfs/dbraw/zinc/97/46/74/1133974674.db2.gz BJFBFCKPHOVLQO-UHFFFAOYSA-N 0 3 282.214 3.881 20 30 CHEDHN C=CCCCCCN1CCN(c2ccccc2OC)CC1 ZINC001209423264 1134015589 /nfs/dbraw/zinc/01/55/89/1134015589.db2.gz KQZVTLDJSDSDHX-UHFFFAOYSA-N 0 3 288.435 3.564 20 30 CHEDHN C=CCCCCCN1CCN(c2nc3ccccc3o2)CC1 ZINC001209427695 1134015998 /nfs/dbraw/zinc/01/59/98/1134015998.db2.gz XXUAYIPYJCLCTQ-UHFFFAOYSA-N 0 3 299.418 3.696 20 30 CHEDHN C=CCCCCCN1CC2(CCN2Cc2ccccc2)C1 ZINC001209427194 1134016822 /nfs/dbraw/zinc/01/68/22/1134016822.db2.gz JDYZKNRLDLPZIC-UHFFFAOYSA-N 0 3 284.447 3.693 20 30 CHEDHN C=CCCCCCCN1CCc2nc(C)sc2C1 ZINC001209435559 1134019320 /nfs/dbraw/zinc/01/93/20/1134019320.db2.gz FAQCCYJFPBXGRH-UHFFFAOYSA-N 0 3 264.438 3.946 20 30 CHEDHN Cc1cccc2c(CN(C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC001209490236 1134028855 /nfs/dbraw/zinc/02/88/55/1134028855.db2.gz LHKBFDCQRYLKNQ-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN C[C@@H]1CC(=O)C=C(Nc2cccc(CN3CCCCC3)c2)C1 ZINC001210777302 1134293899 /nfs/dbraw/zinc/29/38/99/1134293899.db2.gz WYOJSJCRASHOQB-HNNXBMFYSA-N 0 3 298.430 3.967 20 30 CHEDHN CC(C)(C)c1cc(Nc2ccc(C#N)cc2N)ccn1 ZINC001213351419 1134442921 /nfs/dbraw/zinc/44/29/21/1134442921.db2.gz OSLRARHZTFUTGC-UHFFFAOYSA-N 0 3 266.348 3.577 20 30 CHEDHN C=CCCCCCCCCO[C@@H]1CCNC[C@H]1F ZINC001217793664 1135001841 /nfs/dbraw/zinc/00/18/41/1135001841.db2.gz DFGACFHRRXEHGG-HUUCEWRRSA-N 0 3 257.393 3.620 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)s1 ZINC000309838655 1135117560 /nfs/dbraw/zinc/11/75/60/1135117560.db2.gz BZAHBMZNMBKTHN-UTLUCORTSA-N 0 3 254.786 3.744 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc(C(C)C)n1 ZINC001218584517 1135119307 /nfs/dbraw/zinc/11/93/07/1135119307.db2.gz CQEOSKXIWJTGPP-AWEZNQCLSA-N 0 3 289.423 3.607 20 30 CHEDHN CCCCCCCCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000311370132 1135129080 /nfs/dbraw/zinc/12/90/80/1135129080.db2.gz RDFRJHAYRUECQR-CYBMUJFWSA-N 0 3 281.362 3.736 20 30 CHEDHN C=CCCCO[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224510410 1135455390 /nfs/dbraw/zinc/45/53/90/1135455390.db2.gz ZZUBFBKUGRTTPS-HOTGVXAUSA-N 0 3 274.408 3.590 20 30 CHEDHN C=CCOc1ccc(CN[C@H]2CCc3cc(N)ccc32)cc1 ZINC000574465189 335022322 /nfs/dbraw/zinc/02/23/22/335022322.db2.gz FOAWBLREUKDFOZ-IBGZPJMESA-N 0 3 294.398 3.611 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000186698303 260004857 /nfs/dbraw/zinc/00/48/57/260004857.db2.gz WCANEFXZTSBFCD-GWCFXTLKSA-N 0 3 279.767 3.674 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000186698324 260005197 /nfs/dbraw/zinc/00/51/97/260005197.db2.gz WCANEFXZTSBFCD-MFKMUULPSA-N 0 3 279.767 3.674 20 30 CHEDHN COCc1ccccc1/C=C(\C)CNCC1(CC#N)CC1 ZINC000353293178 533254710 /nfs/dbraw/zinc/25/47/10/533254710.db2.gz ZSBDJTZLZWJWII-RVDMUPIBSA-N 0 3 284.403 3.520 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000347260514 533495057 /nfs/dbraw/zinc/49/50/57/533495057.db2.gz NKOHQVKCYZWGHW-IBGZPJMESA-N 0 3 296.414 3.889 20 30 CHEDHN COc1ccc(CN2CCC(C)(C3CC3)CC2)cc1C#N ZINC000352175233 533553510 /nfs/dbraw/zinc/55/35/10/533553510.db2.gz FUYKOGFPPIKIFM-UHFFFAOYSA-N 0 3 284.403 3.579 20 30 CHEDHN COc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341758490 130025703 /nfs/dbraw/zinc/02/57/03/130025703.db2.gz PVLHSVWIRKTPKF-LJQANCHMSA-N 0 3 292.382 3.734 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(F)c1 ZINC000341758237 130026077 /nfs/dbraw/zinc/02/60/77/130026077.db2.gz OUIULHFSPFULLG-GOSISDBHSA-N 0 3 280.346 3.865 20 30 CHEDHN C=CCN(CCCOC(C)C)Cc1cccs1 ZINC000171497307 335067079 /nfs/dbraw/zinc/06/70/79/335067079.db2.gz XCHMSSSGOBJMSW-UHFFFAOYSA-N 0 3 253.411 3.551 20 30 CHEDHN Cc1ccccc1[C@@H](C)NCc1ccc(C#N)cc1 ZINC000020126224 171010140 /nfs/dbraw/zinc/01/01/40/171010140.db2.gz MRHLVHRUJCJGOQ-CQSZACIVSA-N 0 3 250.345 3.718 20 30 CHEDHN C=C(C)[C@H](N[C@H](COC)C1CC1)c1ccc(F)c(F)c1 ZINC000186448462 260082758 /nfs/dbraw/zinc/08/27/58/260082758.db2.gz HIZFBWRONOURDN-CVEARBPZSA-N 0 3 281.346 3.597 20 30 CHEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000334779369 225318090 /nfs/dbraw/zinc/31/80/90/225318090.db2.gz ZQWUKXOCBBGWRL-MEDUHNTESA-N 0 3 268.385 3.958 20 30 CHEDHN N#CCCC[C@@H](NCc1ccccn1)c1ccccc1 ZINC000353902359 226098058 /nfs/dbraw/zinc/09/80/58/226098058.db2.gz SXIGPBIYPYTPOZ-QGZVFWFLSA-N 0 3 265.360 3.606 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccc3ccccc3c2)C1 ZINC000349827241 226859460 /nfs/dbraw/zinc/85/94/60/226859460.db2.gz HREWWPKLJWZMLU-DYVFJYSZSA-N 0 3 250.345 3.622 20 30 CHEDHN CN(C/C=C/c1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000575218183 335083150 /nfs/dbraw/zinc/08/31/50/335083150.db2.gz UNQYXZMVALYDBM-ZZXKWVIFSA-N 0 3 298.336 3.982 20 30 CHEDHN Cc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353416550 228099202 /nfs/dbraw/zinc/09/92/02/228099202.db2.gz YKIMLQHXPXHQDX-GOSISDBHSA-N 0 3 262.356 3.644 20 30 CHEDHN Cc1ccncc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000353449934 228104340 /nfs/dbraw/zinc/10/43/40/228104340.db2.gz OOCQGJZSIAVCJF-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000335987671 228175307 /nfs/dbraw/zinc/17/53/07/228175307.db2.gz QDUGZINOSYMBNE-NYCDYWJRSA-N 0 3 288.416 3.692 20 30 CHEDHN Cc1ncsc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000336083662 228185937 /nfs/dbraw/zinc/18/59/37/228185937.db2.gz HQJVRLOMAVOFNS-INIZCTEOSA-N 0 3 297.427 3.881 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3c(F)cccc32)s1 ZINC000336213178 228214960 /nfs/dbraw/zinc/21/49/60/228214960.db2.gz JWXPAWISIGNLTJ-MRXNPFEDSA-N 0 3 286.375 3.926 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)NCc1cc(COC(C)(C)C)on1 ZINC000186818541 260012527 /nfs/dbraw/zinc/01/25/27/260012527.db2.gz IQTONWIOCKCIJT-CHWSQXEVSA-N 0 3 280.412 3.680 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(N(C)C)c1 ZINC000173582795 260029281 /nfs/dbraw/zinc/02/92/81/260029281.db2.gz GCMALUSCVSWEJL-HNNXBMFYSA-N 0 3 293.414 3.817 20 30 CHEDHN C[C@@H](NCc1cnc2ccccc2c1)c1ccc(C#N)cc1 ZINC000317301536 260172246 /nfs/dbraw/zinc/17/22/46/260172246.db2.gz RXQNPCUFHQLISO-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN C[C@H]1C[C@H](c2ccccc2F)N(CCCSCC#N)C1 ZINC000074991728 260289101 /nfs/dbraw/zinc/28/91/01/260289101.db2.gz ISSXAGRCZQSGRG-XJKSGUPXSA-N 0 3 292.423 3.855 20 30 CHEDHN CC[C@H]1CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000223542387 260311740 /nfs/dbraw/zinc/31/17/40/260311740.db2.gz XHRMSFMQUBZJLL-ZDUSSCGKSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@H](CO)c1ccsc1 ZINC000449250218 260314487 /nfs/dbraw/zinc/31/44/87/260314487.db2.gz OMDRIKXTUSINPM-TZMCWYRMSA-N 0 3 253.411 3.506 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(CC)s1 ZINC000090451222 260359789 /nfs/dbraw/zinc/35/97/89/260359789.db2.gz KAXVXRUJIPOGNU-LBPRGKRZSA-N 0 3 253.411 3.554 20 30 CHEDHN Cc1ccc(O)c(CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000130591201 260859596 /nfs/dbraw/zinc/85/95/96/260859596.db2.gz KEHMWSLFDSUBGJ-KRWDZBQOSA-N 0 3 280.371 3.835 20 30 CHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cccnc2)cc1 ZINC000158506718 260892906 /nfs/dbraw/zinc/89/29/06/260892906.db2.gz OJLFZVDMAJXCME-HUUCEWRRSA-N 0 3 280.371 3.505 20 30 CHEDHN CC(C)(C)c1nc(CCNCc2ccc(C#N)cc2)cs1 ZINC000153691343 261081931 /nfs/dbraw/zinc/08/19/31/261081931.db2.gz PYFOJJJEXNRNBR-UHFFFAOYSA-N 0 3 299.443 3.645 20 30 CHEDHN CCOc1ccccc1CN(C)CCCC(C)(C)C#N ZINC000174863278 261200205 /nfs/dbraw/zinc/20/02/05/261200205.db2.gz JAPULELUXFOSSK-UHFFFAOYSA-N 0 3 274.408 3.847 20 30 CHEDHN CC[C@H](c1ccccc1)N(CC)Cc1cc(C#N)n(C)c1 ZINC000361509473 261305308 /nfs/dbraw/zinc/30/53/08/261305308.db2.gz VCUUGNYQYNHQRD-GOSISDBHSA-N 0 3 281.403 3.870 20 30 CHEDHN N#CCCCCNCc1c(Cl)cccc1Cl ZINC000163861855 261332904 /nfs/dbraw/zinc/33/29/04/261332904.db2.gz WTJIEZLQYBHKIQ-UHFFFAOYSA-N 0 3 257.164 3.777 20 30 CHEDHN CC(C)COC[C@@H](NCCCC(C)(C)C#N)c1ccco1 ZINC000184148795 262010955 /nfs/dbraw/zinc/01/09/55/262010955.db2.gz FNLIEKNJGPLNLO-OAHLLOKOSA-N 0 3 292.423 3.913 20 30 CHEDHN COc1ccc(F)cc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000185783969 262070843 /nfs/dbraw/zinc/07/08/43/262070843.db2.gz FIWLADCLMTYART-SGMGOOAPSA-N 0 3 276.355 3.567 20 30 CHEDHN CCC[C@@H](NCc1ccc(OCC#N)cc1)c1cccnc1 ZINC000185986087 262074553 /nfs/dbraw/zinc/07/45/53/262074553.db2.gz UQAJLHFVJQJCHU-GOSISDBHSA-N 0 3 295.386 3.615 20 30 CHEDHN CC(C)COC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186697921 262105561 /nfs/dbraw/zinc/10/55/61/262105561.db2.gz WBUZIGUJWORQGP-HNNXBMFYSA-N 0 3 286.419 3.756 20 30 CHEDHN CSCc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000193327553 262220572 /nfs/dbraw/zinc/22/05/72/262220572.db2.gz AGGXLCFMYBDCNV-CZUORRHYSA-N 0 3 274.433 3.722 20 30 CHEDHN CC[C@H](CC#N)NC1CCN(c2ccc(Cl)cc2)CC1 ZINC000365044437 262268258 /nfs/dbraw/zinc/26/82/58/262268258.db2.gz NIVKHQNCFTYTAF-CQSZACIVSA-N 0 3 291.826 3.591 20 30 CHEDHN C[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000184674641 262291830 /nfs/dbraw/zinc/29/18/30/262291830.db2.gz YIQDWMDNVKFDKE-AWEZNQCLSA-N 0 3 294.398 3.636 20 30 CHEDHN C=CCSCCN[C@H](C)c1ccccc1OCC ZINC000221936796 262333571 /nfs/dbraw/zinc/33/35/71/262333571.db2.gz NRCFNVRXGWKZEI-CYBMUJFWSA-N 0 3 265.422 3.655 20 30 CHEDHN CC(C)(C#N)CCCCN1CCOC2(CCCCC2)C1 ZINC000365435841 262364899 /nfs/dbraw/zinc/36/48/99/262364899.db2.gz YDQPTQXPXJPSDW-UHFFFAOYSA-N 0 3 278.440 3.742 20 30 CHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccsc1 ZINC000061361407 262394550 /nfs/dbraw/zinc/39/45/50/262394550.db2.gz TUKWTNDUVHJJCL-LBPRGKRZSA-N 0 3 272.373 3.501 20 30 CHEDHN N#CC1(CCN[C@@H]2CCO[C@H]2c2ccccc2)CCCCC1 ZINC000411654160 262702224 /nfs/dbraw/zinc/70/22/24/262702224.db2.gz XBCDLXFFKFMONF-MSOLQXFVSA-N 0 3 298.430 3.970 20 30 CHEDHN COc1cc([C@@H](C)NCCC2(C#N)CCCCC2)ccn1 ZINC000411743571 262705880 /nfs/dbraw/zinc/70/58/80/262705880.db2.gz SJEAGGKIHPJYNI-CQSZACIVSA-N 0 3 287.407 3.605 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CCSc2ccccc21 ZINC000414161023 262818989 /nfs/dbraw/zinc/81/89/89/262818989.db2.gz DWZWIBIJASBWBR-ZDUSSCGKSA-N 0 3 260.406 3.753 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccc(F)c(C)c2)cc1C#N ZINC000267579490 262939132 /nfs/dbraw/zinc/93/91/32/262939132.db2.gz FZBCGFMVESJKHG-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000271989047 263000978 /nfs/dbraw/zinc/00/09/78/263000978.db2.gz DGCMOGZIXFBWKG-KBPBESRZSA-N 0 3 292.448 3.576 20 30 CHEDHN N#CCCCNCc1ccc(-c2ccc(F)cc2)s1 ZINC000273068018 263012181 /nfs/dbraw/zinc/01/21/81/263012181.db2.gz NVFPUISUIVHIRW-UHFFFAOYSA-N 0 3 274.364 3.948 20 30 CHEDHN CCOc1cc(CNCCCC#N)ccc1OCC(C)C ZINC000273079474 263012211 /nfs/dbraw/zinc/01/22/11/263012211.db2.gz QHAHZZMKLSIDJK-UHFFFAOYSA-N 0 3 290.407 3.513 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000282352815 263076074 /nfs/dbraw/zinc/07/60/74/263076074.db2.gz PKQMAUXZQOSQBI-MISXGVKJSA-N 0 3 293.208 3.792 20 30 CHEDHN CCCCOc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000284068442 263085683 /nfs/dbraw/zinc/08/56/83/263085683.db2.gz ARZKLHJNJAZOMU-CQSZACIVSA-N 0 3 260.381 3.820 20 30 CHEDHN COc1ccc([C@H](Cc2ccccc2)NCCCC#N)cc1 ZINC000290115139 263114797 /nfs/dbraw/zinc/11/47/97/263114797.db2.gz KDJGULMLSTXUHJ-IBGZPJMESA-N 0 3 294.398 3.872 20 30 CHEDHN C=CCC[C@H](CC)N[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000366673819 263115079 /nfs/dbraw/zinc/11/50/79/263115079.db2.gz FDNFPDWMCGNBOQ-ZWKOTPCHSA-N 0 3 283.419 3.844 20 30 CHEDHN C=CCC[C@@H](CC)N[C@H](c1cnn(C)c1)c1ccccc1 ZINC000366673816 263115134 /nfs/dbraw/zinc/11/51/34/263115134.db2.gz FDNFPDWMCGNBOQ-MSOLQXFVSA-N 0 3 283.419 3.844 20 30 CHEDHN Cc1ccncc1CCCN[C@H](CCC#N)c1ccccc1 ZINC000290509340 263117230 /nfs/dbraw/zinc/11/72/30/263117230.db2.gz WXLUHYPYEUOWGN-LJQANCHMSA-N 0 3 293.414 3.957 20 30 CHEDHN N#C[C@H]1CC[C@@H](N2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000293061274 263137671 /nfs/dbraw/zinc/13/76/71/263137671.db2.gz LDTNTPZCVMPWEE-SWLSCSKDSA-N 0 3 290.357 3.836 20 30 CHEDHN CC(C)O[C@@H](CN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000293352428 263139439 /nfs/dbraw/zinc/13/94/39/263139439.db2.gz YAKYUNXBUBGSGK-KRWDZBQOSA-N 0 3 286.419 3.778 20 30 CHEDHN CN(Cc1cccc(Br)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000293374685 263139582 /nfs/dbraw/zinc/13/95/82/263139582.db2.gz FXZYBORXHNSNDF-RISCZKNCSA-N 0 3 293.208 3.573 20 30 CHEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccnn1C ZINC000340446416 263152715 /nfs/dbraw/zinc/15/27/15/263152715.db2.gz OHLTUPYMHYNKQV-GOEBONIOSA-N 0 3 282.391 3.506 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(C2CC2)c1 ZINC000294457647 263161951 /nfs/dbraw/zinc/16/19/51/263161951.db2.gz WAQOKMXEYYBBPB-AHIWAGSCSA-N 0 3 254.377 3.907 20 30 CHEDHN CN(CCS[C@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000295126332 263172766 /nfs/dbraw/zinc/17/27/66/263172766.db2.gz BRGPFSGYGKMAJM-HOTGVXAUSA-N 0 3 274.433 3.544 20 30 CHEDHN C=C[C@H](CO)N[C@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000353570139 263175205 /nfs/dbraw/zinc/17/52/05/263175205.db2.gz DGNDZZXFTRHKMU-ZWNOBZJWSA-N 0 3 274.191 3.581 20 30 CHEDHN CCN(CCCC#N)Cc1cccc(Br)c1 ZINC000299375077 263241287 /nfs/dbraw/zinc/24/12/87/263241287.db2.gz LTTSOEIFCDVEPG-UHFFFAOYSA-N 0 3 281.197 3.575 20 30 CHEDHN CCOc1ccccc1[C@@H](CC)N[C@@H](C)CCC#N ZINC000299727281 263253618 /nfs/dbraw/zinc/25/36/18/263253618.db2.gz VEMKRWMWHDLQKY-DZGCQCFKSA-N 0 3 260.381 3.818 20 30 CHEDHN CC(C)Oc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 ZINC000299731808 263254062 /nfs/dbraw/zinc/25/40/62/263254062.db2.gz XKEPMBFOTBBREW-UONOGXRCSA-N 0 3 260.381 3.817 20 30 CHEDHN CC(C)[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCS1 ZINC000187711885 263266932 /nfs/dbraw/zinc/26/69/32/263266932.db2.gz ZKYLHTKZXXRCKJ-XJKSGUPXSA-N 0 3 274.433 3.693 20 30 CHEDHN CC(C#N)C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000440893157 263687705 /nfs/dbraw/zinc/68/77/05/263687705.db2.gz IJCGVICYSJSGKF-GMZAYQHBSA-N 0 3 282.387 3.631 20 30 CHEDHN C=CC1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425398314 264276964 /nfs/dbraw/zinc/27/69/64/264276964.db2.gz BZDSNXXRLZVIHX-UHFFFAOYSA-N 0 3 279.387 3.542 20 30 CHEDHN N#Cc1cc(CN2CC[C@H](Cc3ccccc3)C2)ccc1F ZINC000468272690 264289822 /nfs/dbraw/zinc/28/98/22/264289822.db2.gz NZMRSGQRGNVOST-QGZVFWFLSA-N 0 3 294.373 3.762 20 30 CHEDHN C=C[C@@H](C)N[C@H]1CCCc2ccc(Br)cc21 ZINC000128834187 264307842 /nfs/dbraw/zinc/30/78/42/264307842.db2.gz QTASPUCRSMRLJQ-YGRLFVJLSA-N 0 3 280.209 3.991 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000076735285 264344159 /nfs/dbraw/zinc/34/41/59/264344159.db2.gz KBLYQPXIYZXBGC-LBPRGKRZSA-N 0 3 280.799 3.565 20 30 CHEDHN CCC(CC)CN(CCC#N)CC1(SC)CCC1 ZINC000356211856 266073113 /nfs/dbraw/zinc/07/31/13/266073113.db2.gz GZQOKNOHIBMZPZ-UHFFFAOYSA-N 0 3 268.470 3.924 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000357011396 266232489 /nfs/dbraw/zinc/23/24/89/266232489.db2.gz NUQQFIYXSCCFAE-CQSZACIVSA-N 0 3 284.403 3.579 20 30 CHEDHN C=CCN(Cc1ccc(OCc2cccnc2)cc1)C1CC1 ZINC000357551806 266321770 /nfs/dbraw/zinc/32/17/70/266321770.db2.gz LIAQXFBIKKHSIF-UHFFFAOYSA-N 0 3 294.398 3.811 20 30 CHEDHN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)C#N ZINC000357805648 266368232 /nfs/dbraw/zinc/36/82/32/266368232.db2.gz JYDQZZWNPPPEAA-VIFPVBQESA-N 0 3 285.174 3.502 20 30 CHEDHN CSc1ccc(F)cc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000361441897 266823388 /nfs/dbraw/zinc/82/33/88/266823388.db2.gz XJYOQIJZOBUPHN-BXUZGUMPSA-N 0 3 278.396 3.720 20 30 CHEDHN Cn1cc(CN2CCC[C@H]2/C=C\c2ccccc2)cc1C#N ZINC000361605182 266857763 /nfs/dbraw/zinc/85/77/63/266857763.db2.gz XIZHKPPIAAYKTL-LPADLIQXSA-N 0 3 291.398 3.575 20 30 CHEDHN CCC[C@@H](CNCC1(C#N)CCC1)c1ccccc1 ZINC000418135514 267367595 /nfs/dbraw/zinc/36/75/95/267367595.db2.gz AWBUMJUZOOCOCH-INIZCTEOSA-N 0 3 256.393 3.854 20 30 CHEDHN CCS[C@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000120782743 267505888 /nfs/dbraw/zinc/50/58/88/267505888.db2.gz HMFKUQJJNNRIOO-HNNXBMFYSA-N 0 3 292.423 3.805 20 30 CHEDHN CCSCC[C@@H](C)N(C)Cc1ccc(F)c(C#N)c1 ZINC000121613360 267700705 /nfs/dbraw/zinc/70/07/05/267700705.db2.gz ZYUQDUVZXAHMRM-GFCCVEGCSA-N 0 3 280.412 3.661 20 30 CHEDHN Cc1cccnc1[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000185834461 327847222 /nfs/dbraw/zinc/84/72/22/327847222.db2.gz MSSQUBSLDOCEBQ-ARFHVFGLSA-N 0 3 271.408 3.759 20 30 CHEDHN C[C@@H](c1cccc(F)c1)N1CCC(CCC#N)CC1 ZINC000563067247 327869371 /nfs/dbraw/zinc/86/93/71/327869371.db2.gz FWJMCYTZLGLHOK-ZDUSSCGKSA-N 0 3 260.356 3.902 20 30 CHEDHN N#CCCC1CCN(CCOc2ccccc2Cl)CC1 ZINC000563068186 327872208 /nfs/dbraw/zinc/87/22/08/327872208.db2.gz LERCXCUWWDFQBQ-UHFFFAOYSA-N 0 3 292.810 3.735 20 30 CHEDHN C=CCC[C@@H](CO)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000320335395 328004302 /nfs/dbraw/zinc/00/43/02/328004302.db2.gz BVVUNUNAZLILAM-JSGCOSHPSA-N 0 3 297.851 3.794 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C3CCC3)cc2)C1 ZINC000339363378 328008218 /nfs/dbraw/zinc/00/82/18/328008218.db2.gz SXISGRAAAJOWHL-WMLDXEAASA-N 0 3 254.377 3.736 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@H]2CCCC[C@@H]12 ZINC000541107057 328047080 /nfs/dbraw/zinc/04/70/80/328047080.db2.gz LMRMPFAYMTZYLW-PVUWLOKVSA-N 0 3 272.367 3.708 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccnc2ccccc12 ZINC000534336871 328049215 /nfs/dbraw/zinc/04/92/15/328049215.db2.gz RFEHARJEGIMQMP-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN CN(Cc1ccc(Cl)c(F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000293927554 328278592 /nfs/dbraw/zinc/27/85/92/328278592.db2.gz YMNSJWDUOSVWPZ-JQWIXIFHSA-N 0 3 266.747 3.603 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1nc2c(s1)CCCC2 ZINC000296625950 328291476 /nfs/dbraw/zinc/29/14/76/328291476.db2.gz XDNDFSWJJRZQFA-AVGNSLFASA-N 0 3 289.448 3.755 20 30 CHEDHN Cc1cc(F)ccc1C1CCN(CCCC#N)CC1 ZINC000298185530 328295505 /nfs/dbraw/zinc/29/55/05/328295505.db2.gz AOARSLKQLGBYSW-UHFFFAOYSA-N 0 3 260.356 3.617 20 30 CHEDHN CN(CCCc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000534600647 328319268 /nfs/dbraw/zinc/31/92/68/328319268.db2.gz LYLUHIZLAIBBPO-UHFFFAOYSA-N 0 3 282.362 3.762 20 30 CHEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000289680164 328526300 /nfs/dbraw/zinc/52/63/00/328526300.db2.gz HQOAGRVWECXRTE-YOEHRIQHSA-N 0 3 297.398 3.560 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cc3ccccc3s2)C1 ZINC000335285807 328575620 /nfs/dbraw/zinc/57/56/20/328575620.db2.gz HPRLQFUDCMSBJX-YPMHNXCESA-N 0 3 256.374 3.683 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000119309853 330372547 /nfs/dbraw/zinc/37/25/47/330372547.db2.gz SHPLKLOSZRPFGQ-NXEZZACHSA-N 0 3 284.197 3.683 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000153386636 330643344 /nfs/dbraw/zinc/64/33/44/330643344.db2.gz KTVWKSLWBBRCNY-VIFPVBQESA-N 0 3 272.161 3.815 20 30 CHEDHN CC1(c2ccccc2)CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000583970062 326820100 /nfs/dbraw/zinc/82/01/00/326820100.db2.gz GDIATZCZWUWPBI-IVMQYODDSA-N 0 3 295.430 3.920 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)CC(C)(C)C)c1ccco1 ZINC000552058281 326874454 /nfs/dbraw/zinc/87/44/54/326874454.db2.gz AGJRWNKLBZCANX-KGLIPLIRSA-N 0 3 265.397 3.674 20 30 CHEDHN CCCCO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C1(C)C ZINC000530904080 326896223 /nfs/dbraw/zinc/89/62/23/326896223.db2.gz CSNDQZUYLCEKQV-HUUCEWRRSA-N 0 3 292.448 3.693 20 30 CHEDHN C=CCCC[C@H](C)N1CCC2(C1)Oc1ccccc1O2 ZINC000558180642 327078005 /nfs/dbraw/zinc/07/80/05/327078005.db2.gz IEJUATSDUYDMAB-AWEZNQCLSA-N 0 3 273.376 3.605 20 30 CHEDHN C=CCCC[C@H](C)N[C@@H](C)c1cc(OC)ncc1F ZINC000558254379 327082526 /nfs/dbraw/zinc/08/25/26/327082526.db2.gz CALOVSFSYUWXCC-RYUDHWBXSA-N 0 3 266.360 3.625 20 30 CHEDHN COc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1C ZINC000558500108 327098352 /nfs/dbraw/zinc/09/83/52/327098352.db2.gz FBBNCKFOBKWLQA-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN CC1(C)CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000558566420 327105508 /nfs/dbraw/zinc/10/55/08/327105508.db2.gz GNZFIYJQWLZJLN-UHFFFAOYSA-N 0 3 282.309 3.951 20 30 CHEDHN C=CCN(CCc1ccco1)C[C@@H]1CCC2(CCCC2)O1 ZINC000558723694 327117472 /nfs/dbraw/zinc/11/74/72/327117472.db2.gz ZCKQZXSQYCCQSB-KRWDZBQOSA-N 0 3 289.419 3.802 20 30 CHEDHN C[C@H](c1ccccc1Cl)N(C)CCCSCC#N ZINC000074981957 327122713 /nfs/dbraw/zinc/12/27/13/327122713.db2.gz YDIVIYKKMUXYEG-GFCCVEGCSA-N 0 3 282.840 3.980 20 30 CHEDHN C=CCOCCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000559049104 327139197 /nfs/dbraw/zinc/13/91/97/327139197.db2.gz FRDDCQFVAWAYFD-CYBMUJFWSA-N 0 3 297.801 3.689 20 30 CHEDHN C=CCOCCN1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000559130552 327142661 /nfs/dbraw/zinc/14/26/61/327142661.db2.gz SJSFBMXATBIGCC-UHFFFAOYSA-N 0 3 296.414 3.768 20 30 CHEDHN C=CCCCCN(CC(=C)C)Cc1ccc(CO)o1 ZINC000569426336 327175994 /nfs/dbraw/zinc/17/59/94/327175994.db2.gz GYXMTZQPDBWFKC-UHFFFAOYSA-N 0 3 263.381 3.506 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccccc1N(C)C ZINC000564966824 327283801 /nfs/dbraw/zinc/28/38/01/327283801.db2.gz PKDZBMLKUQOBRW-HNNXBMFYSA-N 0 3 293.414 3.669 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000180946860 327338178 /nfs/dbraw/zinc/33/81/78/327338178.db2.gz ZXNCPHMAJNGFFR-MNOVXSKESA-N 0 3 283.799 3.972 20 30 CHEDHN C/C=C/COc1ccc(CC[C@H](C)NCC2(C#N)CC2)cc1 ZINC000583418194 327354330 /nfs/dbraw/zinc/35/43/30/327354330.db2.gz VAZYCWUXCKKBON-CWDCEQMOSA-N 0 3 298.430 3.856 20 30 CHEDHN C=CCC1(NCc2ncc(COC)s2)CCCCC1 ZINC000449571241 327375466 /nfs/dbraw/zinc/37/54/66/327375466.db2.gz FIFNFGXLVKBTAN-UHFFFAOYSA-N 0 3 280.437 3.658 20 30 CHEDHN CC1CCN(CCSc2ccc(C#N)cc2F)CC1 ZINC000427704534 327419437 /nfs/dbraw/zinc/41/94/37/327419437.db2.gz KCUFCJQGMOAAGN-UHFFFAOYSA-N 0 3 278.396 3.521 20 30 CHEDHN N#CCCCOc1cccc(CN[C@H]2C=CCCC2)c1 ZINC000151174550 327451651 /nfs/dbraw/zinc/45/16/51/327451651.db2.gz SRQUPGHMRCHOQT-INIZCTEOSA-N 0 3 270.376 3.567 20 30 CHEDHN C[C@H](NC1(C2CC2)CC1)c1ccc(C#N)cc1Cl ZINC000562425728 327480337 /nfs/dbraw/zinc/48/03/37/327480337.db2.gz NTSCGHNRTUQHKX-JTQLQIEISA-N 0 3 260.768 3.805 20 30 CHEDHN C=C(C)[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000248588736 327502051 /nfs/dbraw/zinc/50/20/51/327502051.db2.gz YRMXJAVWXVCBMV-GHJWDPDVSA-N 0 3 281.346 3.597 20 30 CHEDHN C=CC[C@H](CC)NCc1nc(C(C)C)n2ccccc12 ZINC000569726038 327542875 /nfs/dbraw/zinc/54/28/75/327542875.db2.gz ANSQMKPSFGWQHF-AWEZNQCLSA-N 0 3 271.408 3.902 20 30 CHEDHN CC[C@H](CC(F)(F)F)N[C@H]1CCc2ccc(C#N)cc21 ZINC000569974891 327560106 /nfs/dbraw/zinc/56/01/06/327560106.db2.gz XYUFDAZCUMABCA-OCCSQVGLSA-N 0 3 282.309 3.866 20 30 CHEDHN Cc1cccc([C@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000399105914 328663906 /nfs/dbraw/zinc/66/39/06/328663906.db2.gz XURAKYNMWBYTME-HNNXBMFYSA-N 0 3 264.372 3.912 20 30 CHEDHN C=CCOc1ccccc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000536655778 328676511 /nfs/dbraw/zinc/67/65/11/328676511.db2.gz LMXSRFNGBKNOIC-KBPBESRZSA-N 0 3 277.433 3.577 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](COC)c1ccc(CC)o1 ZINC000532235919 328709824 /nfs/dbraw/zinc/70/98/24/328709824.db2.gz NDLLIYKQQMUZGA-GUTXKFCHSA-N 0 3 265.397 3.720 20 30 CHEDHN C=C[C@@H](C)N[C@H]1CCc2ccc(Br)cc21 ZINC000308830709 332819709 /nfs/dbraw/zinc/81/97/09/332819709.db2.gz TUZYKMLHZLXCTH-RNCFNFMXSA-N 0 3 266.182 3.601 20 30 CHEDHN C=C[C@H](C)N[C@H]1CCc2ccc(Br)cc21 ZINC000308830711 332819726 /nfs/dbraw/zinc/81/97/26/332819726.db2.gz TUZYKMLHZLXCTH-ZANVPECISA-N 0 3 266.182 3.601 20 30 CHEDHN CCOCCC1(CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358579618 328887576 /nfs/dbraw/zinc/88/75/76/328887576.db2.gz WYQXYPZJLLKGBY-CYBMUJFWSA-N 0 3 290.382 3.555 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)s1 ZINC000377402060 329014164 /nfs/dbraw/zinc/01/41/64/329014164.db2.gz TUSZVNIUAJLEGF-RHSMWYFYSA-N 0 3 298.411 3.630 20 30 CHEDHN CC(C)(C#N)CCCCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377784831 329029341 /nfs/dbraw/zinc/02/93/41/329029341.db2.gz PXFASWWIHNJGCP-HOTGVXAUSA-N 0 3 290.451 3.740 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2ccsc2)cc1 ZINC000178024525 329191227 /nfs/dbraw/zinc/19/12/27/329191227.db2.gz ZCFYNDXOIQJYKA-ZDUSSCGKSA-N 0 3 271.385 3.611 20 30 CHEDHN C=CC[C@@H]1N(Cc2ccc(C#N)cn2)CCCC1(C)C ZINC000582793520 329210483 /nfs/dbraw/zinc/21/04/83/329210483.db2.gz FFAUFEIQTSBLFW-INIZCTEOSA-N 0 3 269.392 3.520 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCOc3c(Cl)cccc32)C1 ZINC000185794935 329332163 /nfs/dbraw/zinc/33/21/63/329332163.db2.gz KZEBNSZANQZIGX-HUBLWGQQSA-N 0 3 290.794 3.836 20 30 CHEDHN N#CCC[C@@H](C#N)CN1CCCC2(CCCCC2)CC1 ZINC000190318685 329394723 /nfs/dbraw/zinc/39/47/23/329394723.db2.gz ITCCMEYXHRVYSW-INIZCTEOSA-N 0 3 273.424 3.866 20 30 CHEDHN C=C[C@@H](C)N[C@@H]1CCCc2ccc(Br)cc21 ZINC000128833737 329612266 /nfs/dbraw/zinc/61/22/66/329612266.db2.gz QTASPUCRSMRLJQ-QMTHXVAHSA-N 0 3 280.209 3.991 20 30 CHEDHN C=CCCCCN[C@H](COC)c1cccc(Cl)c1 ZINC000571724508 329917053 /nfs/dbraw/zinc/91/70/53/329917053.db2.gz MAZSKSGAXQACAU-OAHLLOKOSA-N 0 3 267.800 3.973 20 30 CHEDHN C#CC[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000271524838 330081341 /nfs/dbraw/zinc/08/13/41/330081341.db2.gz OXNWUKHRIDVWTP-PBHICJAKSA-N 0 3 293.366 3.831 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000572446652 330093365 /nfs/dbraw/zinc/09/33/65/330093365.db2.gz ALCXHVIXASIEQJ-JKSUJKDBSA-N 0 3 297.427 3.831 20 30 CHEDHN C[C@H](NCC(C)(C)CCC#N)c1ccncc1Cl ZINC000421863404 330098636 /nfs/dbraw/zinc/09/86/36/330098636.db2.gz YORHXHMVBMBHGQ-NSHDSACASA-N 0 3 265.788 3.716 20 30 CHEDHN C=C(C)CCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000274770193 330107637 /nfs/dbraw/zinc/10/76/37/330107637.db2.gz HEKVJBNZYQLZAY-INIZCTEOSA-N 0 3 269.392 3.676 20 30 CHEDHN C=C(C)[C@H](N[C@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000274803248 330108022 /nfs/dbraw/zinc/10/80/22/330108022.db2.gz OYFLSDBQRFLBTH-FFSVYQOJSA-N 0 3 281.346 3.739 20 30 CHEDHN C=CCC[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccco1 ZINC000276387595 330113257 /nfs/dbraw/zinc/11/32/57/330113257.db2.gz AWTWTTYJMDEPHC-JKSUJKDBSA-N 0 3 297.402 3.550 20 30 CHEDHN C=CCC[C@@H](N[C@@H](C)Cc1cc(C)[nH]n1)c1ccco1 ZINC000278955976 330121259 /nfs/dbraw/zinc/12/12/59/330121259.db2.gz NJZAFVCAUTWXAR-SWLSCSKDSA-N 0 3 273.380 3.539 20 30 CHEDHN C=CCC[C@@H](N[C@@H](C)Cc1cc(C)n[nH]1)c1ccco1 ZINC000278955976 330121261 /nfs/dbraw/zinc/12/12/61/330121261.db2.gz NJZAFVCAUTWXAR-SWLSCSKDSA-N 0 3 273.380 3.539 20 30 CHEDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000580460955 330142097 /nfs/dbraw/zinc/14/20/97/330142097.db2.gz WPTDRFYGDHEOQN-PBHICJAKSA-N 0 3 296.418 3.607 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000424120577 330249412 /nfs/dbraw/zinc/24/94/12/330249412.db2.gz HHHUVISEVJDCJE-PSOPSSQASA-N 0 3 260.768 3.609 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCC2 ZINC000424126576 330259125 /nfs/dbraw/zinc/25/91/25/330259125.db2.gz OZLWVWVRZRNOEJ-IIYDPXPESA-N 0 3 254.377 3.518 20 30 CHEDHN C[C@@H](CN(C)Cc1ccc(C#N)cn1)C1CCCCC1 ZINC000528775410 330292362 /nfs/dbraw/zinc/29/23/62/330292362.db2.gz WXVXMHAZUFGCKL-AWEZNQCLSA-N 0 3 271.408 3.601 20 30 CHEDHN C[C@@H]1CC(F)(F)CCN1CCC1(C#N)CCCCC1 ZINC000528775784 330292783 /nfs/dbraw/zinc/29/27/83/330292783.db2.gz ZHKDLNDYGZAUCJ-CYBMUJFWSA-N 0 3 270.367 3.970 20 30 CHEDHN CC[C@H](NCc1cccnc1C)c1ccc(C#N)cc1 ZINC000527988484 330298995 /nfs/dbraw/zinc/29/89/95/330298995.db2.gz SUFMLKUIHARVSQ-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cccc(OC3CCCC3)c2)C1 ZINC000424190749 330323141 /nfs/dbraw/zinc/32/31/41/330323141.db2.gz GIWJTFHQIRSRSA-ZBFHGGJFSA-N 0 3 284.403 3.790 20 30 CHEDHN FC(F)(F)Oc1ccc(C#CCN2C3CCC2CC3)cc1 ZINC000532995063 330323309 /nfs/dbraw/zinc/32/33/09/330323309.db2.gz POCFSUOSVUXPQM-UHFFFAOYSA-N 0 3 295.304 3.564 20 30 CHEDHN COc1cc2ccccc2cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424200010 330326649 /nfs/dbraw/zinc/32/66/49/330326649.db2.gz LTRRFVLUXVTNBF-SUMWQHHRSA-N 0 3 280.371 3.630 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C(F)(F)F)s2)C1 ZINC000424208635 330328072 /nfs/dbraw/zinc/32/80/72/330328072.db2.gz YIOQXIRGAVRRLE-DTWKUNHWSA-N 0 3 274.311 3.549 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(OC)cc1Cl ZINC000424299978 330336986 /nfs/dbraw/zinc/33/69/86/330336986.db2.gz WJUNQMBJPDIERN-WQGACYEGSA-N 0 3 295.810 3.590 20 30 CHEDHN Cc1cccc2c1[C@@H](C)C[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424318078 330339803 /nfs/dbraw/zinc/33/98/03/330339803.db2.gz CLGRIQUBAJERGV-TTZDDIAXSA-N 0 3 254.377 3.825 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCSc3c(F)cccc32)C1 ZINC000424318277 330339867 /nfs/dbraw/zinc/33/98/67/330339867.db2.gz CXALVOKXHITRNU-MISXGVKJSA-N 0 3 276.380 3.644 20 30 CHEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(C)ccc1OC ZINC000424319136 330339870 /nfs/dbraw/zinc/33/98/70/330339870.db2.gz DYDYOFPAVNKPTP-LZWOXQAQSA-N 0 3 272.392 3.737 20 30 CHEDHN CSc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000424321133 330340199 /nfs/dbraw/zinc/34/01/99/330340199.db2.gz GSSBFWNYZZHOHO-NTZNESFSSA-N 0 3 278.396 3.890 20 30 CHEDHN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000424324538 330341070 /nfs/dbraw/zinc/34/10/70/330341070.db2.gz KDIKXVFREBYTJI-GHJWDPDVSA-N 0 3 299.374 3.512 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000424327559 330341717 /nfs/dbraw/zinc/34/17/17/330341717.db2.gz MVUSMACNLLMPKI-RPVQJOFSSA-N 0 3 296.414 3.671 20 30 CHEDHN CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC)cc1 ZINC000424335997 330343375 /nfs/dbraw/zinc/34/33/75/330343375.db2.gz XHKDZQQCIRUVKD-LXZKKBNFSA-N 0 3 272.392 3.818 20 30 CHEDHN CC(C)(CC#N)CN[C@@H](Cc1ccncc1)c1cccs1 ZINC000424336787 330343510 /nfs/dbraw/zinc/34/35/10/330343510.db2.gz QZBYJZXLQUIQKZ-HNNXBMFYSA-N 0 3 299.443 3.956 20 30 CHEDHN C=CCCCCCN(C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424430647 330351810 /nfs/dbraw/zinc/35/18/10/330351810.db2.gz CXMJIUAMOOEPJR-UHFFFAOYSA-N 0 3 289.423 3.664 20 30 CHEDHN C=CC[C@@H](C)NCc1ccccc1OC(F)(F)F ZINC000116926513 330361529 /nfs/dbraw/zinc/36/15/29/330361529.db2.gz VUSSAMBEJRMKNB-SNVBAGLBSA-N 0 3 259.271 3.639 20 30 CHEDHN C=CC[C@H](C)NCc1cc(Br)ccc1OC ZINC000116927304 330361654 /nfs/dbraw/zinc/36/16/54/330361654.db2.gz HJJKZGAKSRHDNL-JTQLQIEISA-N 0 3 284.197 3.512 20 30 CHEDHN C=C(C)CNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000119652479 330378222 /nfs/dbraw/zinc/37/82/22/330378222.db2.gz CBLIGOCENZPQFM-OAHLLOKOSA-N 0 3 295.810 3.564 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1Cl)C(C)C ZINC000537085631 330397546 /nfs/dbraw/zinc/39/75/46/330397546.db2.gz JTJWQGCEWMWGQG-BBRMVZONSA-N 0 3 281.827 3.954 20 30 CHEDHN C=CCN(C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000121388757 330399788 /nfs/dbraw/zinc/39/97/88/330399788.db2.gz UYFPBQVTUDMQDY-UHFFFAOYSA-N 0 3 277.371 3.619 20 30 CHEDHN C[C@H]1CCC[C@H](C)C1NCc1cccc(F)c1C#N ZINC000428291634 330519362 /nfs/dbraw/zinc/51/93/62/330519362.db2.gz BQKOOAGHAVJZNB-RYUDHWBXSA-N 0 3 260.356 3.612 20 30 CHEDHN C[C@@H](NCc1cccc(F)c1C#N)[C@H](C)c1ccccc1 ZINC000428343366 330520774 /nfs/dbraw/zinc/52/07/74/330520774.db2.gz BGYSGWNIYWBEQE-UONOGXRCSA-N 0 3 282.362 3.979 20 30 CHEDHN C=CCOc1ccc(CNCC2(CC#N)CC2)cc1Cl ZINC000430021884 330557300 /nfs/dbraw/zinc/55/73/00/330557300.db2.gz KPKMEXKQWYIZJK-UHFFFAOYSA-N 0 3 290.794 3.688 20 30 CHEDHN CC(C)(C)c1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430017120 330557379 /nfs/dbraw/zinc/55/73/79/330557379.db2.gz CASFLOHDJFPIPI-UHFFFAOYSA-N 0 3 256.393 3.768 20 30 CHEDHN C[C@H]1CC[C@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000430740769 330572286 /nfs/dbraw/zinc/57/22/86/330572286.db2.gz CHTIOBWJTQWGST-BBRMVZONSA-N 0 3 254.377 3.908 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(F)cc1Cl ZINC000435741893 330661589 /nfs/dbraw/zinc/66/15/89/330661589.db2.gz RJMUSOMGLCRMOU-DOMZBBRYSA-N 0 3 283.774 3.550 20 30 CHEDHN CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000442773043 330781951 /nfs/dbraw/zinc/78/19/51/330781951.db2.gz BUUVBCVGDILGJA-KFNAQCHYSA-N 0 3 278.346 3.944 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000442782611 330782758 /nfs/dbraw/zinc/78/27/58/330782758.db2.gz LJFZJXFGXOFZNT-HOCLYGCPSA-N 0 3 293.370 3.656 20 30 CHEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(C#N)c(C)c1 ZINC000443993836 330808689 /nfs/dbraw/zinc/80/86/89/330808689.db2.gz BUBQIFPCBDSCLJ-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN CC(C)[C@@H](CC(F)(F)F)NCc1cccc(C#N)c1F ZINC000445878129 330840989 /nfs/dbraw/zinc/84/09/89/330840989.db2.gz FDRQCKJKXKHAFS-GFCCVEGCSA-N 0 3 288.288 3.764 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(Br)s1 ZINC000159969981 330855462 /nfs/dbraw/zinc/85/54/62/330855462.db2.gz GZZSZCNSVHQKBY-MRVPVSSYSA-N 0 3 260.200 3.737 20 30 CHEDHN C=C(C)CNCc1ccc(Br)cc1Cl ZINC000160300348 330862761 /nfs/dbraw/zinc/86/27/61/330862761.db2.gz ZLWPKOQUVQRUPR-UHFFFAOYSA-N 0 3 274.589 3.768 20 30 CHEDHN Cc1[nH]c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cc2c1C ZINC000447533382 330868385 /nfs/dbraw/zinc/86/83/85/330868385.db2.gz RCKQKOWMSPRKMX-GDBMZVCRSA-N 0 3 281.403 3.957 20 30 CHEDHN CC[C@H](N[C@@H](C)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000447600330 330873164 /nfs/dbraw/zinc/87/31/64/330873164.db2.gz LXHPPSBZUXOOAJ-GWCFXTLKSA-N 0 3 270.298 3.940 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H](COC)c1ccco1 ZINC000449178775 330903980 /nfs/dbraw/zinc/90/39/80/330903980.db2.gz UOZMSGXHJXMJQQ-KGLIPLIRSA-N 0 3 251.370 3.692 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(C(F)(F)F)c1 ZINC000449549409 330935940 /nfs/dbraw/zinc/93/59/40/330935940.db2.gz XTJWXQFEYYGAAE-KGLIPLIRSA-N 0 3 285.309 3.529 20 30 CHEDHN C=C(CC)CNCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000449734200 330946692 /nfs/dbraw/zinc/94/66/92/330946692.db2.gz RKHFYYQHZPGTBJ-UHFFFAOYSA-N 0 3 275.783 3.786 20 30 CHEDHN Cc1cc(CN2CCC[C@@H](c3ccncc3)C2)ccc1C#N ZINC000451008236 331011581 /nfs/dbraw/zinc/01/15/81/331011581.db2.gz WPSXEIWRXPUJAB-LJQANCHMSA-N 0 3 291.398 3.641 20 30 CHEDHN CC(C)(C#N)CCCCN1CCOCC12CCCCC2 ZINC000451817487 331043710 /nfs/dbraw/zinc/04/37/10/331043710.db2.gz ROOAVBUASOYOOQ-UHFFFAOYSA-N 0 3 278.440 3.742 20 30 CHEDHN N#CCCCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451972266 331049114 /nfs/dbraw/zinc/04/91/14/331049114.db2.gz MQEIQCCDFADLCK-OAHLLOKOSA-N 0 3 264.319 3.796 20 30 CHEDHN C=CCSCCN[C@@H](C)c1ccccc1SC ZINC000194920793 331077102 /nfs/dbraw/zinc/07/71/02/331077102.db2.gz ZWQBXEUJGZALLN-LBPRGKRZSA-N 0 3 267.463 3.978 20 30 CHEDHN CC(C#N)C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000452834014 331079038 /nfs/dbraw/zinc/07/90/38/331079038.db2.gz LKNAEVKMPHZZDN-AWEZNQCLSA-N 0 3 298.430 3.850 20 30 CHEDHN CC[C@@H]1CCC[C@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000453005531 331083270 /nfs/dbraw/zinc/08/32/70/331083270.db2.gz UYAFCMHHHBLUOV-SQNIBIBYSA-N 0 3 298.430 3.701 20 30 CHEDHN CC[C@@H]1CCC[C@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000453005529 331083295 /nfs/dbraw/zinc/08/32/95/331083295.db2.gz UYAFCMHHHBLUOV-KURKYZTESA-N 0 3 298.430 3.701 20 30 CHEDHN C[C@H](NCCCC(C)(F)F)c1ccc(C#N)cc1F ZINC000453237136 331105251 /nfs/dbraw/zinc/10/52/51/331105251.db2.gz ODYIXUBJMISMDK-JTQLQIEISA-N 0 3 270.298 3.783 20 30 CHEDHN C=CCC[C@H](NC[C@](C)(CC)OC)c1ccco1 ZINC000453291880 331111923 /nfs/dbraw/zinc/11/19/23/331111923.db2.gz BZJWRSVNTORHEI-ZFWWWQNUSA-N 0 3 251.370 3.692 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CCC)c1ccsc1 ZINC000453346006 331119873 /nfs/dbraw/zinc/11/98/73/331119873.db2.gz GLJWSZRSNVAZJG-MJBXVCDLSA-N 0 3 251.395 3.522 20 30 CHEDHN C=C(CC)CN[C@H]1CCSc2ccc(OC)cc21 ZINC000453346738 331120102 /nfs/dbraw/zinc/12/01/02/331120102.db2.gz FZZHPZAUACSDBV-AWEZNQCLSA-N 0 3 263.406 3.788 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000453354305 331121389 /nfs/dbraw/zinc/12/13/89/331121389.db2.gz KUUBJBHEINJCPB-SQNXGDPESA-N 0 3 281.446 3.607 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(OC(F)F)c1 ZINC000453367571 331123496 /nfs/dbraw/zinc/12/34/96/331123496.db2.gz UEPIQGQXJUMCCI-DFBGVHRSSA-N 0 3 297.345 3.672 20 30 CHEDHN Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000453367824 331123565 /nfs/dbraw/zinc/12/35/65/331123565.db2.gz DSEKWGOHOXOMEL-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000453369283 331123720 /nfs/dbraw/zinc/12/37/20/331123720.db2.gz TUEKIDNJIPBMRQ-GOEBONIOSA-N 0 3 285.387 3.924 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000453369662 331123920 /nfs/dbraw/zinc/12/39/20/331123920.db2.gz QZWWZOZICQWBGJ-LBPRGKRZSA-N 0 3 278.352 3.610 20 30 CHEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000457126871 331212705 /nfs/dbraw/zinc/21/27/05/331212705.db2.gz PYHIIIFCBHRWLV-UXIGCNINSA-N 0 3 290.794 3.642 20 30 CHEDHN Cc1cc(F)c(CNCCCCC#N)c(Cl)c1 ZINC000459413570 331280390 /nfs/dbraw/zinc/28/03/90/331280390.db2.gz UJYDRWDYURDCKP-UHFFFAOYSA-N 0 3 254.736 3.571 20 30 CHEDHN C[C@H](NCCCC(C)(C)C#N)c1nc2c(s1)CCC2 ZINC000459630976 331291115 /nfs/dbraw/zinc/29/11/15/331291115.db2.gz HLJIJZLBAKWMNU-NSHDSACASA-N 0 3 277.437 3.612 20 30 CHEDHN CCCOc1ccc(CNCC(C)(C)CC#N)cc1OC ZINC000459693637 331294752 /nfs/dbraw/zinc/29/47/52/331294752.db2.gz NSXRVBJRPUWPJU-UHFFFAOYSA-N 0 3 290.407 3.513 20 30 CHEDHN CN(CC1(C#N)CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459696198 331294892 /nfs/dbraw/zinc/29/48/92/331294892.db2.gz JVOKQBFHSMMTLQ-HOTGVXAUSA-N 0 3 254.377 3.558 20 30 CHEDHN CC(C)(CC#N)CNCc1csc(Br)c1 ZINC000459702491 331295107 /nfs/dbraw/zinc/29/51/07/331295107.db2.gz VDHFFJZLMHEZLF-UHFFFAOYSA-N 0 3 287.226 3.540 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CSCCc2ccccc21 ZINC000459737783 331297116 /nfs/dbraw/zinc/29/71/16/331297116.db2.gz WQSDIFXXMZJJFE-OAHLLOKOSA-N 0 3 274.433 3.546 20 30 CHEDHN N#Cc1ccc(CNC2(C3CCC3)CCC2)c(F)c1 ZINC000459746451 331297901 /nfs/dbraw/zinc/29/79/01/331297901.db2.gz NSCTVXSEGFBQQT-UHFFFAOYSA-N 0 3 258.340 3.510 20 30 CHEDHN C[C@H](CNc1c(Cl)cccc1C#N)N1CCC[C@H](C)C1 ZINC000462781264 331328674 /nfs/dbraw/zinc/32/86/74/331328674.db2.gz XRXBBBGOASOSCL-QWHCGFSZSA-N 0 3 291.826 3.744 20 30 CHEDHN C[C@H]1CCC[C@H](C)N1CCNc1c(Cl)cccc1C#N ZINC000462833825 331331960 /nfs/dbraw/zinc/33/19/60/331331960.db2.gz QFZOXUQBFXNHQA-STQMWFEESA-N 0 3 291.826 3.886 20 30 CHEDHN CC[C@H]1CCCCN1CCNc1c(Cl)cccc1C#N ZINC000462833559 331332006 /nfs/dbraw/zinc/33/20/06/331332006.db2.gz JWRDRBXYVKPUMK-AWEZNQCLSA-N 0 3 291.826 3.888 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC(C)C)c1 ZINC000463240949 331343785 /nfs/dbraw/zinc/34/37/85/331343785.db2.gz XXUYZHQQFWAMFI-DOTOQJQBSA-N 0 3 286.419 3.954 20 30 CHEDHN C=CC[C@@H](CC)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000466402397 331395217 /nfs/dbraw/zinc/39/52/17/331395217.db2.gz VRVQZKCXGRVPEV-NWDGAFQWSA-N 0 3 264.438 3.712 20 30 CHEDHN CCC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000466489337 331398288 /nfs/dbraw/zinc/39/82/88/331398288.db2.gz BYQNHWXAFCRWRX-CYBMUJFWSA-N 0 3 260.356 3.709 20 30 CHEDHN N#CC1(CNC2(Cc3ccccc3)CCCCC2)CC1 ZINC000467180580 331411887 /nfs/dbraw/zinc/41/18/87/331411887.db2.gz MDOCNDKFCFNMEX-UHFFFAOYSA-N 0 3 268.404 3.825 20 30 CHEDHN C=CCC[C@@H](CC)N[C@@H](CO)c1cccc(Cl)c1F ZINC000467406510 331417783 /nfs/dbraw/zinc/41/77/83/331417783.db2.gz PXUBQDAEMCGDPZ-RISCZKNCSA-N 0 3 285.790 3.847 20 30 CHEDHN C=CC[C@@H](CC)N[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000467412909 331418253 /nfs/dbraw/zinc/41/82/53/331418253.db2.gz KRIJSMXDFGKPTN-GDBMZVCRSA-N 0 3 298.434 3.889 20 30 CHEDHN CCc1ccc([C@H](C)NCCc2cccc(C#N)c2)o1 ZINC000467437669 331419368 /nfs/dbraw/zinc/41/93/68/331419368.db2.gz WAEKCERXYBSWQQ-ZDUSSCGKSA-N 0 3 268.360 3.607 20 30 CHEDHN CCS[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1F ZINC000469775175 331457702 /nfs/dbraw/zinc/45/77/02/331457702.db2.gz KESMTBJBQQEINR-CABCVRRESA-N 0 3 292.423 3.851 20 30 CHEDHN C[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000481027401 331795186 /nfs/dbraw/zinc/79/51/86/331795186.db2.gz VDNUAYWGIOQSJK-XHDPSFHLSA-N 0 3 262.784 3.880 20 30 CHEDHN CC[C@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N ZINC000481182377 331800263 /nfs/dbraw/zinc/80/02/63/331800263.db2.gz BKQAUFMTKCLSBJ-BLLLJJGKSA-N 0 3 260.356 3.756 20 30 CHEDHN C=C(C)[C@@H](NCCC1CC1)c1ccc(F)c(F)c1 ZINC000481583121 331809744 /nfs/dbraw/zinc/80/97/44/331809744.db2.gz WMIPRFPVXIIAFV-OAHLLOKOSA-N 0 3 251.320 3.972 20 30 CHEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc2ncsc2c1 ZINC000483711305 331882645 /nfs/dbraw/zinc/88/26/45/331882645.db2.gz OHWJJSGHBVPALR-CQSZACIVSA-N 0 3 292.407 3.999 20 30 CHEDHN C=CCCCCCN[C@H](COC)c1ccc(F)cc1 ZINC000488158245 331992486 /nfs/dbraw/zinc/99/24/86/331992486.db2.gz DYJUTMRVVOKKLO-MRXNPFEDSA-N 0 3 265.372 3.849 20 30 CHEDHN C=CCCCCCN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000488314946 331999160 /nfs/dbraw/zinc/99/91/60/331999160.db2.gz YXYLJVAGHZBLPT-HNNXBMFYSA-N 0 3 284.407 3.664 20 30 CHEDHN CC#CCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511612820 332936954 /nfs/dbraw/zinc/93/69/54/332936954.db2.gz WDMWVBZJGOOGCH-AWEZNQCLSA-N 0 3 283.293 3.649 20 30 CHEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCO[C@@H](C)C1 ZINC000491135700 332155030 /nfs/dbraw/zinc/15/50/30/332155030.db2.gz LOIXOSPPKSWEHH-GJZGRUSLSA-N 0 3 277.383 3.629 20 30 CHEDHN CC1(C)CCC[C@H]1NCC#Cc1ccccc1Cl ZINC000492938932 332419233 /nfs/dbraw/zinc/41/92/33/332419233.db2.gz WVWJMGXSGHXNGY-OAHLLOKOSA-N 0 3 261.796 3.860 20 30 CHEDHN CC#CCCNCc1ccc(Oc2cccnc2)c(C)c1 ZINC000499209568 332582529 /nfs/dbraw/zinc/58/25/29/332582529.db2.gz FADJOMZXKDQMRV-UHFFFAOYSA-N 0 3 280.371 3.685 20 30 CHEDHN CC[C@@H]1C[C@@]1(NCc1cc(C#N)n(C)c1)c1cccc(C)c1 ZINC000500480940 332610693 /nfs/dbraw/zinc/61/06/93/332610693.db2.gz IAVLFYRQLOFUEV-APWZRJJASA-N 0 3 293.414 3.620 20 30 CHEDHN C=C(C)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000512350369 332964299 /nfs/dbraw/zinc/96/42/99/332964299.db2.gz NDGGNNHTOGRJSJ-UHFFFAOYSA-N 0 3 284.186 3.935 20 30 CHEDHN C=CC[C@@H](C)NCc1ccc(OC)cc1Br ZINC000304613153 332973172 /nfs/dbraw/zinc/97/31/72/332973172.db2.gz WBZCAMLWECMHFC-SNVBAGLBSA-N 0 3 284.197 3.512 20 30 CHEDHN C[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512659378 332978368 /nfs/dbraw/zinc/97/83/68/332978368.db2.gz GIPFFWSXGVKVRV-AXHNFQJDSA-N 0 3 294.373 3.979 20 30 CHEDHN N#Cc1csc(CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000513492251 333022623 /nfs/dbraw/zinc/02/26/23/333022623.db2.gz YXJQXSSSXXMYAY-AWEZNQCLSA-N 0 3 286.375 3.748 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)o1 ZINC000513642694 333028606 /nfs/dbraw/zinc/02/86/06/333028606.db2.gz NEJXMPWUYKEEPZ-INIZCTEOSA-N 0 3 280.371 3.606 20 30 CHEDHN C=CCC[C@@H](NCCOC1CCCC1)c1ccco1 ZINC000513654095 333029512 /nfs/dbraw/zinc/02/95/12/333029512.db2.gz HAMJTZDGOGWUQU-OAHLLOKOSA-N 0 3 263.381 3.836 20 30 CHEDHN C=CCC[C@H](CCC)NCc1cn2cc(C)ccc2n1 ZINC000517448230 333099687 /nfs/dbraw/zinc/09/96/87/333099687.db2.gz GZARAQNLFXPOQA-HNNXBMFYSA-N 0 3 271.408 3.867 20 30 CHEDHN CCN(CCc1cccs1)Cc1cc(C#N)ccc1F ZINC000521193686 333114681 /nfs/dbraw/zinc/11/46/81/333114681.db2.gz NRVUBAVKFIYFPG-UHFFFAOYSA-N 0 3 288.391 3.823 20 30 CHEDHN CC[C@H]1CN(c2ccccc2)CCN1CCCC(C)(C)C#N ZINC000184012700 333124349 /nfs/dbraw/zinc/12/43/49/333124349.db2.gz HCMPIECLVKRQMJ-KRWDZBQOSA-N 0 3 299.462 3.917 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186591112 333163200 /nfs/dbraw/zinc/16/32/00/333163200.db2.gz IIUXJIVTGPCKDZ-UHFFFAOYSA-N 0 3 275.392 3.730 20 30 CHEDHN N#Cc1ccc(CNCCCCCc2ccc(F)cc2)o1 ZINC000189556413 333195023 /nfs/dbraw/zinc/19/50/23/333195023.db2.gz NOFNSTHVYFFONS-UHFFFAOYSA-N 0 3 286.350 3.793 20 30 CHEDHN C=C(C)[C@@H](NCC[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000190009713 333201670 /nfs/dbraw/zinc/20/16/70/333201670.db2.gz QJBMQINNSIRDAU-CZUORRHYSA-N 0 3 281.346 3.741 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1F ZINC000190402032 333206363 /nfs/dbraw/zinc/20/63/63/333206363.db2.gz HBLUWPBVYCAUKW-SFHVURJKSA-N 0 3 280.346 3.938 20 30 CHEDHN CC(C)(NCc1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000192157772 333231196 /nfs/dbraw/zinc/23/11/96/333231196.db2.gz YAXZVRMQAOHPMT-UHFFFAOYSA-N 0 3 286.325 3.861 20 30 CHEDHN C=CCCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000193676815 333255443 /nfs/dbraw/zinc/25/54/43/333255443.db2.gz ZGCUIBBCTFGNLX-AWEZNQCLSA-N 0 3 253.773 3.583 20 30 CHEDHN C=CCSCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000194091295 333265102 /nfs/dbraw/zinc/26/51/02/333265102.db2.gz PDARGWQWUYXAJG-AWEZNQCLSA-N 0 3 285.840 3.536 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000194102464 333265618 /nfs/dbraw/zinc/26/56/18/333265618.db2.gz MELCFFJZRXCMDE-RISCZKNCSA-N 0 3 253.773 3.582 20 30 CHEDHN CC1(CNCc2ccc(C#N)cc2F)CCCCC1 ZINC000227598838 333286439 /nfs/dbraw/zinc/28/64/39/333286439.db2.gz ZJOVRMSHIXIEPO-UHFFFAOYSA-N 0 3 260.356 3.757 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccccc1C#N ZINC000522468422 333287586 /nfs/dbraw/zinc/28/75/86/333287586.db2.gz CKQKQAYNAVXWNU-BEFAXECRSA-N 0 3 276.383 3.936 20 30 CHEDHN N#Cc1cc(CN2CCC[C@H]3CCCC[C@@H]32)ccc1F ZINC000229747923 333309181 /nfs/dbraw/zinc/30/91/81/333309181.db2.gz XLFLWWGPJWKZSO-PBHICJAKSA-N 0 3 272.367 3.852 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000230649626 333319430 /nfs/dbraw/zinc/31/94/30/333319430.db2.gz HIAQWQDSSCUASN-HNNXBMFYSA-N 0 3 260.356 3.852 20 30 CHEDHN CCN(Cc1cccs1)Cc1ccc(C#N)c(OC)c1 ZINC000233463304 333352589 /nfs/dbraw/zinc/35/25/89/333352589.db2.gz INCXOLMSZKHBPC-UHFFFAOYSA-N 0 3 286.400 3.650 20 30 CHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1 ZINC000538508886 333601180 /nfs/dbraw/zinc/60/11/80/333601180.db2.gz KAPWDAFARRLCQX-KBPBESRZSA-N 0 3 298.361 3.815 20 30 CHEDHN COc1ccc(CN(Cc2ccccc2)C2CC2)cc1C#N ZINC000340131093 335151949 /nfs/dbraw/zinc/15/19/49/335151949.db2.gz VVJOPGGFEWRXJQ-UHFFFAOYSA-N 0 3 292.382 3.731 20 30 CHEDHN C=C(C)CN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000539269694 333663828 /nfs/dbraw/zinc/66/38/28/333663828.db2.gz XQVJJGLDJPWDIB-AWEZNQCLSA-N 0 3 277.408 3.957 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000174415810 335154222 /nfs/dbraw/zinc/15/42/22/335154222.db2.gz NIKMJEUHXHAULX-MAUKXSAKSA-N 0 3 280.371 3.652 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1F ZINC000174429289 335154388 /nfs/dbraw/zinc/15/43/88/335154388.db2.gz KPCSWRJHPSDFEZ-LBPRGKRZSA-N 0 3 284.334 3.557 20 30 CHEDHN CC#CCCNCc1cnc(C2CCCCC2)s1 ZINC000541853150 333794662 /nfs/dbraw/zinc/79/46/62/333794662.db2.gz KZEHGVPJVREPLY-UHFFFAOYSA-N 0 3 262.422 3.694 20 30 CHEDHN CC#CCN[C@H](Cc1ccccc1)c1cccs1 ZINC000542527929 333830996 /nfs/dbraw/zinc/83/09/96/333830996.db2.gz YTMORWUEYVIUPF-OAHLLOKOSA-N 0 3 255.386 3.645 20 30 CHEDHN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 ZINC000545460585 333983161 /nfs/dbraw/zinc/98/31/61/333983161.db2.gz RFJNZECRLNJGRE-GWCFXTLKSA-N 0 3 270.298 3.940 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000546690654 334046023 /nfs/dbraw/zinc/04/60/23/334046023.db2.gz SNLSNZRSECRHSC-GFCCVEGCSA-N 0 3 278.346 3.694 20 30 CHEDHN C[C@@H](NCc1cccc2cccnc21)c1ccc(C#N)cc1 ZINC000075755624 334050320 /nfs/dbraw/zinc/05/03/20/334050320.db2.gz NPICHPBYGWXTBE-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN C[C@@H]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000237387886 334087779 /nfs/dbraw/zinc/08/77/79/334087779.db2.gz BNKUNGFEHVVLKB-DOMZBBRYSA-N 0 3 281.321 3.835 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000076733809 334088023 /nfs/dbraw/zinc/08/80/23/334088023.db2.gz SOUNTYIULMIRTI-ZDUSSCGKSA-N 0 3 294.826 3.873 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000076733804 334088134 /nfs/dbraw/zinc/08/81/34/334088134.db2.gz SOUNTYIULMIRTI-CYBMUJFWSA-N 0 3 294.826 3.873 20 30 CHEDHN C=CCCCN(C)Cc1cccc(Br)c1OC ZINC000547516418 334096959 /nfs/dbraw/zinc/09/69/59/334096959.db2.gz JIBXAQURFXZTOG-UHFFFAOYSA-N 0 3 298.224 3.856 20 30 CHEDHN C=CC[C@@H](C)NCc1cc(Cl)ccc1OC(F)F ZINC000134747858 334102987 /nfs/dbraw/zinc/10/29/87/334102987.db2.gz XEBBQSOTWXUWBS-SECBINFHSA-N 0 3 275.726 3.996 20 30 CHEDHN COc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1C#N ZINC000134949100 334109363 /nfs/dbraw/zinc/10/93/63/334109363.db2.gz PZUOWCUYOPHALL-ZDUSSCGKSA-N 0 3 298.361 3.899 20 30 CHEDHN CCOc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000135674042 334135771 /nfs/dbraw/zinc/13/57/71/334135771.db2.gz NGLURDPULIXQNM-GFCCVEGCSA-N 0 3 286.400 3.869 20 30 CHEDHN C=CCOCCN(CCC)[C@@H](C)c1ccccc1OC ZINC000549399109 334192242 /nfs/dbraw/zinc/19/22/42/334192242.db2.gz ZYNKFQKNDPRRSS-HNNXBMFYSA-N 0 3 277.408 3.671 20 30 CHEDHN C=CCOCCN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000549464140 334194791 /nfs/dbraw/zinc/19/47/91/334194791.db2.gz JRLHHXDANZBSEP-FQEVSTJZSA-N 0 3 293.410 3.989 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCCC2 ZINC000549552544 334197760 /nfs/dbraw/zinc/19/77/60/334197760.db2.gz BCRLIZVCVIXACX-GLJUWKHASA-N 0 3 268.404 3.908 20 30 CHEDHN C=CCOCCN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000549898954 334208174 /nfs/dbraw/zinc/20/81/74/334208174.db2.gz LOYINDAUEYOAPY-HNNXBMFYSA-N 0 3 265.372 3.705 20 30 CHEDHN C=CCC(C)(C)CNCc1nc2cc(Cl)ccc2n1C ZINC000550226752 334216455 /nfs/dbraw/zinc/21/64/55/334216455.db2.gz FDKARKPDFLHWLC-UHFFFAOYSA-N 0 3 291.826 3.919 20 30 CHEDHN C=CCC(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000551240295 334242466 /nfs/dbraw/zinc/24/24/66/334242466.db2.gz ITZALFQYFIHJST-GFCCVEGCSA-N 0 3 260.356 3.950 20 30 CHEDHN C[C@@H](NCC#CCN[C@H](C)c1ccccc1)c1ccccc1 ZINC000551395632 334248939 /nfs/dbraw/zinc/24/89/39/334248939.db2.gz ONBVDQVKSDBTHS-QZTJIDSGSA-N 0 3 292.426 3.691 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000551707285 334258683 /nfs/dbraw/zinc/25/86/83/334258683.db2.gz BDZZDJWZVFEZMT-UHFFFAOYSA-N 0 3 294.345 3.924 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccn(Cc2ccccc2)n1 ZINC000551814192 334263192 /nfs/dbraw/zinc/26/31/92/334263192.db2.gz VSXVFLDOSPILAZ-HZPDHXFCSA-N 0 3 283.419 3.622 20 30 CHEDHN C=CCC[C@H](NC[C@]1(C)CCCC[C@@H]1O)c1ccco1 ZINC000552044385 334280863 /nfs/dbraw/zinc/28/08/63/334280863.db2.gz AJNHDPPBIDMGJV-XIRDDKMYSA-N 0 3 277.408 3.818 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1CC[C@H](C)O1)c1ccc(F)c(F)c1 ZINC000249064711 334326450 /nfs/dbraw/zinc/32/64/50/334326450.db2.gz JZNSEERMMGSJSE-RBOXIYTFSA-N 0 3 281.346 3.739 20 30 CHEDHN N#Cc1cccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1F ZINC000552828640 334346950 /nfs/dbraw/zinc/34/69/50/334346950.db2.gz ZRJIDUJJVDXKOH-OAHLLOKOSA-N 0 3 298.336 3.826 20 30 CHEDHN CC(C)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCS1 ZINC000252480328 334381396 /nfs/dbraw/zinc/38/13/96/334381396.db2.gz AGWBZVYHRXXYQV-CJNGLKHVSA-N 0 3 274.433 3.693 20 30 CHEDHN C=CC[C@@H](C)N[C@H](COC)c1cccc(Cl)c1 ZINC000554989081 334463715 /nfs/dbraw/zinc/46/37/15/334463715.db2.gz VEKVFLZKGCVDPB-BXUZGUMPSA-N 0 3 253.773 3.582 20 30 CHEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)C[C@H]1c1ccccc1 ZINC000555606349 334484104 /nfs/dbraw/zinc/48/41/04/334484104.db2.gz IKLZFEPNFSOLDC-HKUYNNGSSA-N 0 3 294.373 3.981 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCC[C@H]1F ZINC000556254520 334504163 /nfs/dbraw/zinc/50/41/63/334504163.db2.gz WZXQARQQXKRSQJ-ZACQAIPSSA-N 0 3 272.367 3.806 20 30 CHEDHN N#CC1(CNCCCc2c(Cl)cccc2Cl)CC1 ZINC000565635112 334582032 /nfs/dbraw/zinc/58/20/32/334582032.db2.gz MYIUCBOACMHMAD-UHFFFAOYSA-N 0 3 283.202 3.819 20 30 CHEDHN Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(C)c1 ZINC000567088736 334679764 /nfs/dbraw/zinc/67/97/64/334679764.db2.gz VYXREHAZMMFQQM-IBGZPJMESA-N 0 3 276.383 3.952 20 30 CHEDHN CCC[C@@H](NC[C@H](C#N)CCC#N)C1CCCCC1 ZINC000567679294 334751334 /nfs/dbraw/zinc/75/13/34/334751334.db2.gz RNSMDSUJWLGYPO-GOEBONIOSA-N 0 3 261.413 3.769 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000568149706 334796598 /nfs/dbraw/zinc/79/65/98/334796598.db2.gz XKUZFTFYYYEATR-RHSMWYFYSA-N 0 3 288.435 3.528 20 30 CHEDHN CCOc1ccc(CNCc2ccc(CC#N)cc2)cc1F ZINC000568630288 334833618 /nfs/dbraw/zinc/83/36/18/334833618.db2.gz UNNLBJMRFWHVNL-UHFFFAOYSA-N 0 3 298.361 3.580 20 30 CHEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000343819847 335220586 /nfs/dbraw/zinc/22/05/86/335220586.db2.gz OLINJIMKPRSBCI-SFHVURJKSA-N 0 3 264.372 3.994 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 ZINC000576885497 335260634 /nfs/dbraw/zinc/26/06/34/335260634.db2.gz QDASSHASIUVJTG-RDTXWAMCSA-N 0 3 277.371 3.536 20 30 CHEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)c(C)c1 ZINC000577443321 335352614 /nfs/dbraw/zinc/35/26/14/335352614.db2.gz OILMCALVWOFEFA-SFHVURJKSA-N 0 3 279.387 3.845 20 30 CHEDHN CCN(CCCNCc1cc(C#N)cs1)c1ccccc1 ZINC000177682031 335378441 /nfs/dbraw/zinc/37/84/41/335378441.db2.gz PPTSZIOALTXELU-UHFFFAOYSA-N 0 3 299.443 3.626 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180178981 335557472 /nfs/dbraw/zinc/55/74/72/335557472.db2.gz VWJMDKXBRSPVEL-MNOVXSKESA-N 0 3 277.799 3.842 20 30 CHEDHN CCC[C@@H]1CCCC[C@@H]1CNC[C@H](C#N)CCC#N ZINC000579217597 335722245 /nfs/dbraw/zinc/72/22/45/335722245.db2.gz WZNGXLYDEIHLQS-ARFHVFGLSA-N 0 3 261.413 3.626 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000181649601 335776122 /nfs/dbraw/zinc/77/61/22/335776122.db2.gz YMLGTJRDJZZOMS-BBRMVZONSA-N 0 3 283.362 3.579 20 30 CHEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 ZINC000579666141 335844424 /nfs/dbraw/zinc/84/44/24/335844424.db2.gz ZPXGJIYYVGOIJT-LLVKDONJSA-N 0 3 282.309 3.530 20 30 CHEDHN C=CCCC[C@@H](C)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000581171006 336018723 /nfs/dbraw/zinc/01/87/23/336018723.db2.gz MOQDWHUKHSQKSV-CYBMUJFWSA-N 0 3 263.429 3.884 20 30 CHEDHN C=C(C)CNCc1cccc(OCc2ccccc2)c1 ZINC000381781115 336072897 /nfs/dbraw/zinc/07/28/97/336072897.db2.gz ZOTRLMFMRRMDKY-UHFFFAOYSA-N 0 3 267.372 3.931 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@H](C(F)(F)F)C1(C)C ZINC000385533104 336150634 /nfs/dbraw/zinc/15/06/34/336150634.db2.gz KAFQIYZMCHKHBN-JTQLQIEISA-N 0 3 262.319 3.589 20 30 CHEDHN CCOc1cccc([C@@H](C)NCc2ccc(C#N)cc2)c1 ZINC000063319355 521410988 /nfs/dbraw/zinc/41/09/88/521410988.db2.gz VQJUZGDPUYKWGW-CQSZACIVSA-N 0 3 280.371 3.808 20 30 CHEDHN CC[C@H](NCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000278321913 522651661 /nfs/dbraw/zinc/65/16/61/522651661.db2.gz VCTXXOWXAAWGHH-INIZCTEOSA-N 0 3 294.354 3.528 20 30 CHEDHN CC[C@H](NCc1cccc(COC)c1)c1ccc(C#N)cc1 ZINC000278336601 522652006 /nfs/dbraw/zinc/65/20/06/522652006.db2.gz WXYIOFLRLXKTMW-IBGZPJMESA-N 0 3 294.398 3.946 20 30 CHEDHN COC1CCC(N(C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000274751776 522685163 /nfs/dbraw/zinc/68/51/63/522685163.db2.gz AZLFVSJBJPRNRE-UHFFFAOYSA-N 0 3 292.810 3.601 20 30 CHEDHN CC[C@@H](NCc1cnc(C)s1)c1ccc(C#N)cc1 ZINC000278860659 522890167 /nfs/dbraw/zinc/89/01/67/522890167.db2.gz WFKROVQJQFZMCE-OAHLLOKOSA-N 0 3 271.389 3.564 20 30 CHEDHN CO[C@H](c1ccccc1)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000279673422 523957717 /nfs/dbraw/zinc/95/77/17/523957717.db2.gz GDRJZSLGOBRAEN-CLCXKQKWSA-N 0 3 294.398 3.985 20 30 CHEDHN COc1ccc(CN[C@H]2CCc3cc(C)ccc32)cc1C#N ZINC000266229182 524094746 /nfs/dbraw/zinc/09/47/46/524094746.db2.gz SZPWZSHFCHHOGS-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN C[C@H]1CC[C@]2(CCN(Cc3cc(C#N)cs3)C2)C1 ZINC000359295389 524429076 /nfs/dbraw/zinc/42/90/76/524429076.db2.gz OTQUZKNCULIRNZ-WFASDCNBSA-N 0 3 260.406 3.632 20 30 CHEDHN N#Cc1csc(CNCC2(Cc3ccccc3)CCC2)n1 ZINC000352799476 534829969 /nfs/dbraw/zinc/82/99/69/534829969.db2.gz OIBMIKKHHLSUJZ-UHFFFAOYSA-N 0 3 297.427 3.517 20 30 CHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000078973152 525659303 /nfs/dbraw/zinc/65/93/03/525659303.db2.gz RWCSLLYRDNBCQS-CHWSQXEVSA-N 0 3 294.354 3.699 20 30 CHEDHN N#Cc1ccc(CNCC2CCC(F)(F)CC2)c(F)c1 ZINC000337234027 526622903 /nfs/dbraw/zinc/62/29/03/526622903.db2.gz AICRSXSZCYBUKB-UHFFFAOYSA-N 0 3 282.309 3.612 20 30 CHEDHN C=CCOCCCN(C)Cc1ccccc1C(F)(F)F ZINC000347963285 526748363 /nfs/dbraw/zinc/74/83/63/526748363.db2.gz JFSIAJHNBCESAI-UHFFFAOYSA-N 0 3 287.325 3.730 20 30 CHEDHN C=C1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000353284957 526904367 /nfs/dbraw/zinc/90/43/67/526904367.db2.gz GOQPQDVFDBPAHS-UHFFFAOYSA-N 0 3 264.372 3.901 20 30 CHEDHN C=CC1CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000353596139 526979854 /nfs/dbraw/zinc/97/98/54/526979854.db2.gz QBNAKVYXRCWSJS-UHFFFAOYSA-N 0 3 264.438 3.740 20 30 CHEDHN C=CC[C@H]1N(Cc2cncc(F)c2)CCCC1(C)C ZINC000347132594 527226245 /nfs/dbraw/zinc/22/62/45/527226245.db2.gz PURHTDQIQIMFEC-OAHLLOKOSA-N 0 3 262.372 3.787 20 30 CHEDHN C=CC[C@H]1N(Cc2cnccc2OC)CCCC1(C)C ZINC000347127231 527226800 /nfs/dbraw/zinc/22/68/00/527226800.db2.gz UOELUQOJDMHUNA-MRXNPFEDSA-N 0 3 274.408 3.657 20 30 CHEDHN C=C[C@@H](CO)N[C@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000353570136 527444383 /nfs/dbraw/zinc/44/43/83/527444383.db2.gz DGNDZZXFTRHKMU-GXFFZTMASA-N 0 3 274.191 3.581 20 30 CHEDHN CC(C)CC[C@H]1CCC[C@H]1NCc1nc(C#N)cs1 ZINC000352825506 527859995 /nfs/dbraw/zinc/85/99/95/527859995.db2.gz UGWKQRMRWBXQGB-TZMCWYRMSA-N 0 3 277.437 3.709 20 30 CHEDHN CCCN(C[C@@H](C#N)CCC#N)CC1CCCCC1 ZINC000352787157 528117475 /nfs/dbraw/zinc/11/74/75/528117475.db2.gz CGENJWLFMCXXQR-MRXNPFEDSA-N 0 3 261.413 3.722 20 30 CHEDHN CCC(CC)[C@@H](CCNCc1ccc(C#N)cc1F)OC ZINC000344854542 528818361 /nfs/dbraw/zinc/81/83/61/528818361.db2.gz NDBVRXCZSFZBKR-QGZVFWFLSA-N 0 3 292.398 3.628 20 30 CHEDHN CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)C#N ZINC000344901673 528943242 /nfs/dbraw/zinc/94/32/42/528943242.db2.gz FIMKTRVSBKEAGY-LLVKDONJSA-N 0 3 298.308 3.602 20 30 CHEDHN CCC[C@@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000352819969 528962001 /nfs/dbraw/zinc/96/20/01/528962001.db2.gz BOTHFEPBOATPRI-AWEZNQCLSA-N 0 3 285.416 3.516 20 30 CHEDHN CC[C@@H](NCC1(CC#N)CC1)c1cc(C)ccc1OC ZINC000430744064 1118765623 /nfs/dbraw/zinc/76/56/23/1118765623.db2.gz TYYZFUYBRRLKKY-OAHLLOKOSA-N 0 3 272.392 3.738 20 30 CHEDHN CCc1nc(C)c([C@@H](C)NCC(C)(C)CC#N)s1 ZINC000414174093 1119926244 /nfs/dbraw/zinc/92/62/44/1119926244.db2.gz XTIFFTPXQXDBPL-SNVBAGLBSA-N 0 3 265.426 3.604 20 30 CHEDHN C[C@H](CCc1ccc(Cl)s1)NCC(C)(C)C#N ZINC000613540429 1120017851 /nfs/dbraw/zinc/01/78/51/1120017851.db2.gz YKTWSFSOXCQHNQ-SNVBAGLBSA-N 0 3 270.829 3.862 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1csc(COC)n1 ZINC000657529387 1120489782 /nfs/dbraw/zinc/48/97/82/1120489782.db2.gz VFXRFPHVCVMKED-OCCSQVGLSA-N 0 3 280.437 3.514 20 30 CHEDHN C=C(C)CCN(C)Cc1cc(Br)ccc1OC ZINC000509032876 1120603227 /nfs/dbraw/zinc/60/32/27/1120603227.db2.gz OIMDDHAFJMJCGC-UHFFFAOYSA-N 0 3 298.224 3.856 20 30 CHEDHN CCCCCCC[C@@H](C)C(=O)N[C@]1(C)CCCN(C)C1 ZINC001181133689 1122038203 /nfs/dbraw/zinc/03/82/03/1122038203.db2.gz XULMPDPVJCCJQK-NVXWUHKLSA-N 0 3 282.472 3.584 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N1CC#Cc1cccc(Cl)c1 ZINC001191316724 1122592965 /nfs/dbraw/zinc/59/29/65/1122592965.db2.gz KDEKOBYPNQGVMS-OKILXGFUSA-N 0 3 261.796 3.954 20 30 CHEDHN CCCCCCCOC(=O)Nc1cnccc1N(C)C ZINC001193994503 1122741948 /nfs/dbraw/zinc/74/19/48/1122741948.db2.gz VRKFQKQBKBDWNM-UHFFFAOYSA-N 0 3 279.384 3.667 20 30 CHEDHN C#CCCN(C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001195728919 1122882462 /nfs/dbraw/zinc/88/24/62/1122882462.db2.gz KRXGPOXNZFMTSL-AWEZNQCLSA-N 0 3 277.795 3.681 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC001195946986 1122900423 /nfs/dbraw/zinc/90/04/23/1122900423.db2.gz PJPNKBZPSHNDFA-LBPRGKRZSA-N 0 3 251.320 3.753 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cc(OC)ccc2Cl)C1 ZINC001196441745 1122920479 /nfs/dbraw/zinc/92/04/79/1122920479.db2.gz MGPRUEOXPDEMQZ-LBPRGKRZSA-N 0 3 265.784 3.747 20 30 CHEDHN CC[C@H](F)CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000440703623 1123031663 /nfs/dbraw/zinc/03/16/63/1123031663.db2.gz RYRLORZYXHXAEH-INIZCTEOSA-N 0 3 262.372 3.764 20 30 CHEDHN C[C@H]1CCCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140600498 1131820292 /nfs/dbraw/zinc/82/02/92/1131820292.db2.gz LWWGPARHRRKVSP-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN C=CCN(Cc1ccc(Cl)cc1C)[C@@H](C)COC ZINC001171917576 1132109981 /nfs/dbraw/zinc/10/99/81/1132109981.db2.gz ZZNZZKDEGXYYKO-ZDUSSCGKSA-N 0 3 267.800 3.671 20 30 CHEDHN CCCCCC[C@@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172389387 1132214668 /nfs/dbraw/zinc/21/46/68/1132214668.db2.gz XENLUKPZIYQEMQ-CABCVRRESA-N 0 3 286.460 3.635 20 30 CHEDHN C[C@@H](CCCC#N)NCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001172488129 1132245940 /nfs/dbraw/zinc/24/59/40/1132245940.db2.gz JGYRRLQAEXCRFG-JTQLQIEISA-N 0 3 299.201 3.848 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)c(Cl)c1 ZINC001232109955 1132424094 /nfs/dbraw/zinc/42/40/94/1132424094.db2.gz IMKWUIXHSNXBML-TXEJJXNPSA-N 0 3 262.784 3.975 20 30 CHEDHN Cc1ccc(CN(C)[C@H]2CC[C@H](C)CC2)c(C#N)c1 ZINC001232968643 1132552481 /nfs/dbraw/zinc/55/24/81/1132552481.db2.gz KIKVAEFJMNUILV-WJYNOGRTSA-N 0 3 256.393 3.877 20 30 CHEDHN CCCCCCCN(CC)Cc1cc(C)nn1C ZINC001205903987 1133628432 /nfs/dbraw/zinc/62/84/32/1133628432.db2.gz COQJBRBNGKWPET-UHFFFAOYSA-N 0 3 251.418 3.521 20 30 CHEDHN C#C[C@H]1CCCN(CCc2ccccc2C(F)(F)F)C1 ZINC001209284529 1134002137 /nfs/dbraw/zinc/00/21/37/1134002137.db2.gz UZXGKJJZZFGXMC-ZDUSSCGKSA-N 0 3 281.321 3.593 20 30 CHEDHN COc1c(Cl)cccc1CN[C@@H](C)CC(C)(C)C#N ZINC000897480259 1125508689 /nfs/dbraw/zinc/50/86/89/1125508689.db2.gz UWFOUUBRIBCSCF-NSHDSACASA-N 0 3 280.799 3.767 20 30 CHEDHN CSc1cc(C)cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001238679266 1131230727 /nfs/dbraw/zinc/23/07/27/1131230727.db2.gz ABGDDSGXZGYJJO-MKZZRHPPSA-N 0 3 286.444 3.984 20 30 CHEDHN N#CCCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000194272972 1125552897 /nfs/dbraw/zinc/55/28/97/1125552897.db2.gz NFHFQMGSBXAVHK-UHFFFAOYSA-N 0 3 283.350 3.700 20 30 CHEDHN C=CCC1(O)CCN(c2ccnc3ccc(CC)cc32)CC1 ZINC000884724703 1125589944 /nfs/dbraw/zinc/58/99/44/1125589944.db2.gz BHYZLVORMGDCNM-UHFFFAOYSA-N 0 3 296.414 3.705 20 30 CHEDHN C[C@H](N(C)Cc1cn2ccccc2c1C#N)C(C)(C)C ZINC000532929078 1125589105 /nfs/dbraw/zinc/58/91/05/1125589105.db2.gz YSELKUBKVRYJAQ-ZDUSSCGKSA-N 0 3 269.392 3.677 20 30 CHEDHN Cc1cccc(OC[C@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000533448923 1125607989 /nfs/dbraw/zinc/60/79/89/1125607989.db2.gz WMFGNBYQCCOEKF-AWEZNQCLSA-N 0 3 298.361 3.563 20 30 CHEDHN C#C[C@H](CCCCC)Oc1ccccc1CN(C)C ZINC001229699133 1125655247 /nfs/dbraw/zinc/65/52/47/1125655247.db2.gz JPJYYYJWYWPOKI-MRXNPFEDSA-N 0 3 259.393 3.709 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2ccncc2)C1 ZINC000248884366 1125676454 /nfs/dbraw/zinc/67/64/54/1125676454.db2.gz LPPVFFRTRUXSAG-AYOQOUSVSA-N 0 3 291.398 3.843 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000076734563 1125684432 /nfs/dbraw/zinc/68/44/32/1125684432.db2.gz MDGSAQXWHJQYEA-ZDUSSCGKSA-N 0 3 292.448 3.634 20 30 CHEDHN N#Cc1ccc(CNCCc2ccc(C(F)(F)F)cc2)o1 ZINC000237839112 1125705167 /nfs/dbraw/zinc/70/51/67/1125705167.db2.gz RSWZFWQUDMQOQO-UHFFFAOYSA-N 0 3 294.276 3.502 20 30 CHEDHN C=CCC1(O)CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000886761261 1125715172 /nfs/dbraw/zinc/71/51/72/1125715172.db2.gz AFCFDKNHPGMDEH-CYBMUJFWSA-N 0 3 279.811 3.804 20 30 CHEDHN C=CCC[C@@H](N[C@H](C)c1cnn(C)c1)c1ccccc1 ZINC000090580671 1125744274 /nfs/dbraw/zinc/74/42/74/1125744274.db2.gz JMNKDFGYDNHDRI-RHSMWYFYSA-N 0 3 269.392 3.778 20 30 CHEDHN C[C@H](C#N)OCCNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000801931321 1129961219 /nfs/dbraw/zinc/96/12/19/1129961219.db2.gz XOEHQHPIBUBEHL-SNVBAGLBSA-N 0 3 299.201 3.501 20 30 CHEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCC(C)(C)C#N ZINC000903100325 1130111982 /nfs/dbraw/zinc/11/19/82/1130111982.db2.gz NTTDXGAQYQTTQV-OAHLLOKOSA-N 0 3 262.372 3.532 20 30 CHEDHN C=CCC[C@@H](NCC(=O)Nc1ccccc1)c1ccccc1 ZINC000159943175 1126759061 /nfs/dbraw/zinc/75/90/61/1126759061.db2.gz GSWAGNYCOFHOMG-GOSISDBHSA-N 0 3 294.398 3.922 20 30 CHEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1C ZINC000173988740 1126765046 /nfs/dbraw/zinc/76/50/46/1126765046.db2.gz MYUBEQSIVIWLGB-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128801710 1126773825 /nfs/dbraw/zinc/77/38/25/1126773825.db2.gz OUESDPYMUJJFEL-DOMZBBRYSA-N 0 3 294.354 3.533 20 30 CHEDHN C[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000429573278 1126776685 /nfs/dbraw/zinc/77/66/85/1126776685.db2.gz YTSAYGHJTQMUBD-SMDDNHRTSA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@@H](Cc1ccccc1Cl)N1CCC[C@@H](CC#N)C1 ZINC001170283386 1130479863 /nfs/dbraw/zinc/47/98/63/1130479863.db2.gz KSBIXRLFABJZCD-KBPBESRZSA-N 0 3 276.811 3.897 20 30 CHEDHN CC(C)(S)CNc1ccc(F)c(CN2CCCC2)c1 ZINC001170308918 1130482802 /nfs/dbraw/zinc/48/28/02/1130482802.db2.gz IJFHAGNTARMFKA-UHFFFAOYSA-N 0 3 282.428 3.542 20 30 CHEDHN C[C@H](NCC#Cc1ccccc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000483694043 1126797386 /nfs/dbraw/zinc/79/73/86/1126797386.db2.gz QNOOJADXJXWSCL-TWOQFEAHSA-N 0 3 291.394 3.581 20 30 CHEDHN Cc1cc([C@H](C)NCc2ccc(C#N)c(F)c2)ccc1F ZINC000484080021 1126809283 /nfs/dbraw/zinc/80/92/83/1126809283.db2.gz MDMWZMHYYRVVMA-LBPRGKRZSA-N 0 3 286.325 3.996 20 30 CHEDHN C[C@@H]1CCN(CC#Cc2ccccc2)CC12CCC2 ZINC000484080203 1126809365 /nfs/dbraw/zinc/80/93/65/1126809365.db2.gz BRUHMDFKVNZMPX-MRXNPFEDSA-N 0 3 253.389 3.550 20 30 CHEDHN CC(C)(C)[C@@H](NCCCC#N)c1ccc(F)cc1F ZINC000181629948 1126858655 /nfs/dbraw/zinc/85/86/55/1126858655.db2.gz KGXOMPKJZODMKY-AWEZNQCLSA-N 0 3 266.335 3.945 20 30 CHEDHN C=CCCCN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184895460 1126897297 /nfs/dbraw/zinc/89/72/97/1126897297.db2.gz MINFCGOXWKPCRT-CYBMUJFWSA-N 0 3 256.349 3.958 20 30 CHEDHN C[C@@H]1CC[C@@H](NCc2cc(C#N)n(C)c2)c2ccccc21 ZINC000191472901 1126952015 /nfs/dbraw/zinc/95/20/15/1126952015.db2.gz ULSZBZHRWZWRGN-FZKQIMNGSA-N 0 3 279.387 3.625 20 30 CHEDHN N#CC1(c2ccccc2)CCC(NCc2nccs2)CC1 ZINC000271058246 1127067536 /nfs/dbraw/zinc/06/75/36/1127067536.db2.gz FCYLNGCDFSLAPN-UHFFFAOYSA-N 0 3 297.427 3.637 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000271170537 1127071048 /nfs/dbraw/zinc/07/10/48/1127071048.db2.gz QFGIPOQLTGHJAD-CYBMUJFWSA-N 0 3 286.375 3.748 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000348892143 1127133158 /nfs/dbraw/zinc/13/31/58/1127133158.db2.gz HYVPYSLWBUWEEU-IBGZPJMESA-N 0 3 294.398 3.984 20 30 CHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000192986296 1127166232 /nfs/dbraw/zinc/16/62/32/1127166232.db2.gz GUKVZWQAJKRFBH-STQMWFEESA-N 0 3 294.354 3.699 20 30 CHEDHN C=CCN(Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000350269153 1127176373 /nfs/dbraw/zinc/17/63/73/1127176373.db2.gz QXCSEVYAUYJVEX-UHFFFAOYSA-N 0 3 270.376 3.520 20 30 CHEDHN C=CCN(Cc1ccc(OC(C)C)c(OC)c1)C1CC1 ZINC000350268575 1127176005 /nfs/dbraw/zinc/17/60/05/1127176005.db2.gz QBNMQUHWGLJUGB-UHFFFAOYSA-N 0 3 275.392 3.633 20 30 CHEDHN CC(C)N(Cc1ccc(Br)cc1C#N)C(C)C ZINC000588204491 1127181994 /nfs/dbraw/zinc/18/19/94/1127181994.db2.gz HADPFTKMIBKONV-UHFFFAOYSA-N 0 3 295.224 3.940 20 30 CHEDHN CCN(Cc1cc(C#N)cs1)Cc1ccc(N(C)C)cc1 ZINC000156849253 1127193157 /nfs/dbraw/zinc/19/31/57/1127193157.db2.gz LYCWLTLPINWMTG-UHFFFAOYSA-N 0 3 299.443 3.708 20 30 CHEDHN COCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000351568073 1127194289 /nfs/dbraw/zinc/19/42/89/1127194289.db2.gz KWSRDDOOZZMCPO-INIZCTEOSA-N 0 3 294.398 3.768 20 30 CHEDHN C[C@@H](CCC#N)N(C)Cc1ccc(Br)cc1 ZINC000351611320 1127198148 /nfs/dbraw/zinc/19/81/48/1127198148.db2.gz ZLSDIHOONZEVJW-NSHDSACASA-N 0 3 281.197 3.573 20 30 CHEDHN C=C(C)CCN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000352005417 1127215460 /nfs/dbraw/zinc/21/54/60/1127215460.db2.gz RAEYHRWHVXUEGP-QGZVFWFLSA-N 0 3 287.382 3.547 20 30 CHEDHN N#CCC1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000589510375 1127226382 /nfs/dbraw/zinc/22/63/82/1127226382.db2.gz CLSALHSWWMRQGT-UHFFFAOYSA-N 0 3 280.774 3.647 20 30 CHEDHN CC(C)CCN(Cc1cccc(C#N)c1F)C1CC1 ZINC000223521877 1127228163 /nfs/dbraw/zinc/22/81/63/1127228163.db2.gz HFGGYGIYQUTIRF-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCC[C@H](CC)N[C@@H](C)c1c(F)cncc1F ZINC000285726942 1127241619 /nfs/dbraw/zinc/24/16/19/1127241619.db2.gz QPGVCSXOJJGMLA-QWRGUYRKSA-N 0 3 254.324 3.755 20 30 CHEDHN CC(C)N(Cc1ccnc(C#N)c1)[C@H](C)c1ccccc1 ZINC000589999774 1127242425 /nfs/dbraw/zinc/24/24/25/1127242425.db2.gz BKUAXWBKINUYHR-OAHLLOKOSA-N 0 3 279.387 3.925 20 30 CHEDHN Cc1sccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000590186849 1127250636 /nfs/dbraw/zinc/25/06/36/1127250636.db2.gz LQAIRHVQPMWUBT-LLVKDONJSA-N 0 3 256.374 3.779 20 30 CHEDHN Cc1sccc1CNCc1ccc(C#N)c(Cl)c1 ZINC000590190544 1127251207 /nfs/dbraw/zinc/25/12/07/1127251207.db2.gz NJMKYRRZDGHSDN-UHFFFAOYSA-N 0 3 276.792 3.871 20 30 CHEDHN C=C[C@H](COC)N[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC001116811411 1131164245 /nfs/dbraw/zinc/16/42/45/1131164245.db2.gz RGKGVMXFFWFBCW-COXVUDFISA-N 0 3 259.393 3.662 20 30 CHEDHN CC(C)(CC#N)CNCc1cc2cc(Cl)cnc2o1 ZINC000590970445 1127280014 /nfs/dbraw/zinc/28/00/14/1127280014.db2.gz DSNPOODDZYNTLR-UHFFFAOYSA-N 0 3 277.755 3.511 20 30 CHEDHN CO[C@@H](CN[C@@H](CCC#N)c1ccccc1)CC(C)C ZINC000591375702 1127299525 /nfs/dbraw/zinc/29/95/25/1127299525.db2.gz UBLJTCDXTGYMFS-SJORKVTESA-N 0 3 274.408 3.682 20 30 CHEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C1(CC)CC ZINC000355138089 1127320330 /nfs/dbraw/zinc/32/03/30/1127320330.db2.gz SBLHLKQFUMAROR-HZPDHXFCSA-N 0 3 290.407 3.567 20 30 CHEDHN C=CCN(CC1=CCCC1)Cc1cccc(C#N)c1 ZINC000592064352 1127332814 /nfs/dbraw/zinc/33/28/14/1127332814.db2.gz CMROGQUAGGZIIZ-UHFFFAOYSA-N 0 3 252.361 3.657 20 30 CHEDHN Cc1ccc(CN(Cc2cccc(C#N)c2)CC2CC2)cn1 ZINC000592144396 1127338877 /nfs/dbraw/zinc/33/88/77/1127338877.db2.gz BMLXHRAIFIQSSJ-UHFFFAOYSA-N 0 3 291.398 3.674 20 30 CHEDHN C=CCC[C@H](N[C@@H]1C[C@@H](OCC)[C@H]1SC)c1ccco1 ZINC000592395110 1127345074 /nfs/dbraw/zinc/34/50/74/1127345074.db2.gz OYPGGRNWXHCYPE-XNISGKROSA-N 0 3 295.448 3.786 20 30 CHEDHN CC(C)C[C@H](NCc1cccc(C#N)c1)c1ccncc1 ZINC000592386126 1127345863 /nfs/dbraw/zinc/34/58/63/1127345863.db2.gz OEHQAONDNZRASK-SFHVURJKSA-N 0 3 279.387 3.830 20 30 CHEDHN N#CC1(CNC2CC(c3ccccc3F)C2)CCCC1 ZINC000593653438 1127393537 /nfs/dbraw/zinc/39/35/37/1127393537.db2.gz KUSCCMPBIGZOBR-UHFFFAOYSA-N 0 3 272.367 3.745 20 30 CHEDHN CC[C@@H](CC#N)NCCCc1ccc(C(F)(F)F)cc1 ZINC000594009025 1127407410 /nfs/dbraw/zinc/40/74/10/1127407410.db2.gz YWFCSGFPZWLDDB-AWEZNQCLSA-N 0 3 284.325 3.920 20 30 CHEDHN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000594519695 1127421543 /nfs/dbraw/zinc/42/15/43/1127421543.db2.gz SSCIBOZNRVBICK-UBHSHLNASA-N 0 3 290.382 3.694 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](C)C(=O)OC(C)(C)C)c1ccco1 ZINC000594508378 1127419891 /nfs/dbraw/zinc/41/98/91/1127419891.db2.gz BNMKSYMNXAICAG-ZIAGYGMSSA-N 0 3 293.407 3.854 20 30 CHEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1cccnc1 ZINC000594516745 1127421131 /nfs/dbraw/zinc/42/11/31/1127421131.db2.gz FEWRAJHCKYPDIO-AWEZNQCLSA-N 0 3 277.371 3.683 20 30 CHEDHN C=CCCSCCNCc1ccccc1OC(F)F ZINC000594960857 1127440785 /nfs/dbraw/zinc/44/07/85/1127440785.db2.gz XXNZHHVDFBJRCR-UHFFFAOYSA-N 0 3 287.375 3.687 20 30 CHEDHN C[C@H](CSCCF)N[C@@H](CCC#N)c1ccccc1 ZINC000595021983 1127442520 /nfs/dbraw/zinc/44/25/20/1127442520.db2.gz IQFDTTKUUJRZPK-HIFRSBDPSA-N 0 3 280.412 3.712 20 30 CHEDHN C[C@H](Cc1ccc(F)cc1)NCC1(C#N)CCCCC1 ZINC000594981467 1127443257 /nfs/dbraw/zinc/44/32/57/1127443257.db2.gz QRSRNTCXSSUPCL-CQSZACIVSA-N 0 3 274.383 3.820 20 30 CHEDHN COc1cccc(C2(NCc3cc(C#N)cs3)CCC2)c1 ZINC000594998283 1127445297 /nfs/dbraw/zinc/44/52/97/1127445297.db2.gz VMDTWTQUBUYXCD-UHFFFAOYSA-N 0 3 298.411 3.797 20 30 CHEDHN C=CCCSCCN[C@H](C)c1ccc(CC)o1 ZINC000595061066 1127447389 /nfs/dbraw/zinc/44/73/89/1127447389.db2.gz XYDRAKPVUXQHAV-GFCCVEGCSA-N 0 3 253.411 3.802 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(OC3CC3)c2F)C1 ZINC000595069675 1127448136 /nfs/dbraw/zinc/44/81/36/1127448136.db2.gz QFPXODAFTYGUIM-OCCSQVGLSA-N 0 3 288.366 3.539 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2cccc(OC3CC3)c2F)C1 ZINC000595069674 1127448214 /nfs/dbraw/zinc/44/82/14/1127448214.db2.gz QFPXODAFTYGUIM-JSGCOSHPSA-N 0 3 288.366 3.539 20 30 CHEDHN N#CCCC[C@@H](N[C@H]1CCCn2nccc21)c1ccccc1 ZINC000595038868 1127450078 /nfs/dbraw/zinc/45/00/78/1127450078.db2.gz PJQMNZIWXRRKNI-SJORKVTESA-N 0 3 294.402 3.743 20 30 CHEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000595093640 1127454948 /nfs/dbraw/zinc/45/49/48/1127454948.db2.gz DQLUQEJYEQYLRD-YVEFUNNKSA-N 0 3 290.382 3.553 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2cc(F)ccc2OC(F)F)C1 ZINC000595094002 1127455273 /nfs/dbraw/zinc/45/52/73/1127455273.db2.gz RUDWJGCMAJJPSO-GXFFZTMASA-N 0 3 298.308 3.599 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2cc(F)ccc2OC(F)F)C1 ZINC000595094004 1127455554 /nfs/dbraw/zinc/45/55/54/1127455554.db2.gz RUDWJGCMAJJPSO-ZWNOBZJWSA-N 0 3 298.308 3.599 20 30 CHEDHN CC[C@H](CC(F)F)CN(CCC#N)CC(C)(C)C ZINC000595327867 1127458226 /nfs/dbraw/zinc/45/82/26/1127458226.db2.gz DLOQVEJIJSDMND-GFCCVEGCSA-N 0 3 260.372 3.930 20 30 CHEDHN CO[C@H](CN[C@@H](CCC#N)c1ccccc1)C1CCCC1 ZINC000595422425 1127462306 /nfs/dbraw/zinc/46/23/06/1127462306.db2.gz XSTRZCUIWKDWSB-ZWKOTPCHSA-N 0 3 286.419 3.826 20 30 CHEDHN C#CCOCCN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000761112761 1127465794 /nfs/dbraw/zinc/46/57/94/1127465794.db2.gz BKFXMMVXMMSUNB-NSHDSACASA-N 0 3 286.202 3.636 20 30 CHEDHN CC[C@H](OCCN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595622880 1127468823 /nfs/dbraw/zinc/46/88/23/1127468823.db2.gz FHXZHAREMSKOGT-AEFFLSMTSA-N 0 3 286.419 3.780 20 30 CHEDHN CCCOc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000595623526 1127469068 /nfs/dbraw/zinc/46/90/68/1127469068.db2.gz SGJXAFNGWXTUSN-OAHLLOKOSA-N 0 3 272.392 3.601 20 30 CHEDHN Cc1cccc(C)c1[C@H]1CCCN1Cc1ccc(C#N)cn1 ZINC000595600957 1127469711 /nfs/dbraw/zinc/46/97/11/1127469711.db2.gz LRHBTBANRDEIBZ-GOSISDBHSA-N 0 3 291.398 3.907 20 30 CHEDHN N#Cc1cnccc1CN[C@@H]1CCCC12CCCCC2 ZINC000595602678 1127470034 /nfs/dbraw/zinc/47/00/34/1127470034.db2.gz DAJXISLHEFABAP-MRXNPFEDSA-N 0 3 269.392 3.546 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1Cl ZINC000595845562 1127478143 /nfs/dbraw/zinc/47/81/43/1127478143.db2.gz QPISDWISCLGSMF-GASCZTMLSA-N 0 3 272.779 3.895 20 30 CHEDHN C#CC[C@@H](NCc1ccsc1C)c1ccccc1 ZINC000293392310 1127501268 /nfs/dbraw/zinc/50/12/68/1127501268.db2.gz XEAMWZRPUNYTCR-MRXNPFEDSA-N 0 3 255.386 3.911 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccc3c(c2)CCCC3)C1 ZINC000597177457 1127532574 /nfs/dbraw/zinc/53/25/74/1127532574.db2.gz MMVPNWJYPGKFGA-OAHLLOKOSA-N 0 3 268.404 3.691 20 30 CHEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)cc2cccnc12 ZINC000597177458 1127532679 /nfs/dbraw/zinc/53/26/79/1127532679.db2.gz MMXCRJGJTGNFRG-HNNXBMFYSA-N 0 3 279.387 3.669 20 30 CHEDHN C[C@H](CN1CC(CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000597203111 1127535181 /nfs/dbraw/zinc/53/51/81/1127535181.db2.gz FKANOAKCCACCES-LLVKDONJSA-N 0 3 282.309 3.654 20 30 CHEDHN CC(C)[C@H]1C[C@H](NCC2(C#N)CCCCC2)CS1 ZINC000597226708 1127536804 /nfs/dbraw/zinc/53/68/04/1127536804.db2.gz WQBFGTFAJBRDOA-UONOGXRCSA-N 0 3 266.454 3.580 20 30 CHEDHN C[C@@H](CCc1ccc(O)cc1)NCC1(C#N)CCCCC1 ZINC000597225653 1127536294 /nfs/dbraw/zinc/53/62/94/1127536294.db2.gz RYMQBPOEVZMQQX-HNNXBMFYSA-N 0 3 286.419 3.777 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361190381 1127546208 /nfs/dbraw/zinc/54/62/08/1127546208.db2.gz PAQHJOJBNJFMIM-COPLHBTASA-N 0 3 281.346 3.979 20 30 CHEDHN C=CCC[C@@H](C)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361188508 1127546405 /nfs/dbraw/zinc/54/64/05/1127546405.db2.gz SSNYCOPOVLUHRJ-MFKMUULPSA-N 0 3 267.319 3.733 20 30 CHEDHN CC(C)(CNCc1cccc(F)c1C#N)CC(F)(F)F ZINC000602027999 1127557389 /nfs/dbraw/zinc/55/73/89/1127557389.db2.gz LIYUCMTVVOFJHD-UHFFFAOYSA-N 0 3 288.288 3.766 20 30 CHEDHN CC(C)CN(CCC#N)CCCCc1ccccc1 ZINC000228444180 1127558067 /nfs/dbraw/zinc/55/80/67/1127558067.db2.gz VSCSQAPEBYMCLO-UHFFFAOYSA-N 0 3 258.409 3.881 20 30 CHEDHN Cn1cc(CN2CCC[C@@H]2/C=C\c2ccccc2)cc1C#N ZINC000361605181 1127576343 /nfs/dbraw/zinc/57/63/43/1127576343.db2.gz XIZHKPPIAAYKTL-HJCTWCACSA-N 0 3 291.398 3.575 20 30 CHEDHN Cc1ccccc1[C@@H]1CCCN1Cc1cccc(C#N)n1 ZINC000602440522 1127580140 /nfs/dbraw/zinc/58/01/40/1127580140.db2.gz QFNOLOKRDDQGAO-SFHVURJKSA-N 0 3 277.371 3.599 20 30 CHEDHN CC(C)[C@H](c1ccccc1)N(C)Cc1cccc(C#N)n1 ZINC000602476053 1127582015 /nfs/dbraw/zinc/58/20/15/1127582015.db2.gz VLNJPDCAKYWTNN-GOSISDBHSA-N 0 3 279.387 3.782 20 30 CHEDHN Cc1cc(C)cc([C@H]2CCN(Cc3cccc(C#N)n3)C2)c1 ZINC000602606115 1127598347 /nfs/dbraw/zinc/59/83/47/1127598347.db2.gz AEWFDMGRNYUIBI-INIZCTEOSA-N 0 3 291.398 3.560 20 30 CHEDHN Cc1cccc([C@H](NCc2cccc(C#N)n2)C(C)C)c1 ZINC000602727543 1127610301 /nfs/dbraw/zinc/61/03/01/1127610301.db2.gz WEHQETMWNIBADN-GOSISDBHSA-N 0 3 279.387 3.749 20 30 CHEDHN N#Cc1cccc(CN2CCC3(CCSCC3)CC2)c1 ZINC000602736615 1127610799 /nfs/dbraw/zinc/61/07/99/1127610799.db2.gz ONRFNLPAWXNBNC-UHFFFAOYSA-N 0 3 286.444 3.667 20 30 CHEDHN C[C@@H]1CCN(CC2(CC#N)CC2)[C@@H](c2ccco2)C1 ZINC000602784103 1127613545 /nfs/dbraw/zinc/61/35/45/1127613545.db2.gz PRLJXJJNIJNCMG-ZIAGYGMSSA-N 0 3 258.365 3.746 20 30 CHEDHN C[C@H]1SCCN(CC2(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000602778576 1127613762 /nfs/dbraw/zinc/61/37/62/1127613762.db2.gz GYOLFRUVWYZLAQ-ZBFHGGJFSA-N 0 3 286.444 3.859 20 30 CHEDHN CN(CCCCC#N)Cc1ccc(Br)cc1F ZINC000602924041 1127622381 /nfs/dbraw/zinc/62/23/81/1127622381.db2.gz AIJPVWCKFDNBJR-UHFFFAOYSA-N 0 3 299.187 3.714 20 30 CHEDHN CC(C)(CCC#N)CN1CC(C)(c2ccccc2)C1 ZINC000598678598 1127631011 /nfs/dbraw/zinc/63/10/11/1127631011.db2.gz ZUFCMWQKTDTFQE-UHFFFAOYSA-N 0 3 256.393 3.590 20 30 CHEDHN CCC[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)OCC ZINC000599059691 1127653523 /nfs/dbraw/zinc/65/35/23/1127653523.db2.gz JXWPGYPESXTTNE-OCCSQVGLSA-N 0 3 278.371 3.553 20 30 CHEDHN CCc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000593687705 1127658551 /nfs/dbraw/zinc/65/85/51/1127658551.db2.gz MVUUFFIUIVHFQT-UHFFFAOYSA-N 0 3 264.372 3.719 20 30 CHEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C)c(C#N)c1 ZINC000599337530 1127669024 /nfs/dbraw/zinc/66/90/24/1127669024.db2.gz BDTWLRRDVZGQDI-SFHVURJKSA-N 0 3 279.387 3.845 20 30 CHEDHN Cc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)cc1C#N ZINC000599364545 1127669708 /nfs/dbraw/zinc/66/97/08/1127669708.db2.gz LQUKWBVJSOZHLB-LIRRHRJNSA-N 0 3 291.398 3.845 20 30 CHEDHN Cc1ccc(CN(C)Cc2ccccc2N(C)C)cc1C#N ZINC000599419896 1127670858 /nfs/dbraw/zinc/67/08/58/1127670858.db2.gz AKQKLKGGNJVKLR-UHFFFAOYSA-N 0 3 293.414 3.565 20 30 CHEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599515314 1127676711 /nfs/dbraw/zinc/67/67/11/1127676711.db2.gz RJKAUMHUVYACLM-BETUJISGSA-N 0 3 278.346 3.590 20 30 CHEDHN C[C@@H](CN(C)C[C@H](C#N)CCC#N)C1CCCCC1 ZINC000599632751 1127683993 /nfs/dbraw/zinc/68/39/93/1127683993.db2.gz CJQLCVCHROCXEB-GJZGRUSLSA-N 0 3 261.413 3.578 20 30 CHEDHN C/C=C\C[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000599692795 1127687215 /nfs/dbraw/zinc/68/72/15/1127687215.db2.gz XRALEJJHXAYSMU-XQJDBVBESA-N 0 3 260.406 3.798 20 30 CHEDHN N#CCC1(CN[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000369708086 1127760163 /nfs/dbraw/zinc/76/01/63/1127760163.db2.gz ZBEVILZDMRJABX-OAHLLOKOSA-N 0 3 282.387 3.716 20 30 CHEDHN CC#CCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000607728011 1127826682 /nfs/dbraw/zinc/82/66/82/1127826682.db2.gz RDSUVAXICAVRCK-NSHDSACASA-N 0 3 255.283 3.722 20 30 CHEDHN CO[C@](C)([C@H](C)NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000411968424 1127883767 /nfs/dbraw/zinc/88/37/67/1127883767.db2.gz JPPIMEQMQFCFFD-MEDUHNTESA-N 0 3 292.810 3.505 20 30 CHEDHN Cc1ccccc1[C@H](C(C)C)N(C)CC1(C#N)CC1 ZINC000539451900 1127923618 /nfs/dbraw/zinc/92/36/18/1127923618.db2.gz CRYMTWLLKJZFPD-INIZCTEOSA-N 0 3 256.393 3.928 20 30 CHEDHN CCOc1ccc(CNCc2cccc(C#N)c2)c(C)c1 ZINC000594916008 1127935161 /nfs/dbraw/zinc/93/51/61/1127935161.db2.gz ZYGZWUUGUCZSQE-UHFFFAOYSA-N 0 3 280.371 3.555 20 30 CHEDHN CC[C@H](CSC)N(C)CC#Cc1ccc(Cl)cc1 ZINC000540198603 1127967927 /nfs/dbraw/zinc/96/79/27/1127967927.db2.gz IFRSHKRWIOHXHO-OAHLLOKOSA-N 0 3 281.852 3.765 20 30 CHEDHN C=CCCC[C@H](C)N[C@H](COC)c1ccc(CC)o1 ZINC000541628614 1128032230 /nfs/dbraw/zinc/03/22/30/1128032230.db2.gz HQCPMLROHRVZGW-DZGCQCFKSA-N 0 3 265.397 3.864 20 30 CHEDHN C=CCN(CC=C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470175036 1128065179 /nfs/dbraw/zinc/06/51/79/1128065179.db2.gz OMKFXBWSTYSFDJ-SDNWHVSQSA-N 0 3 272.348 3.672 20 30 CHEDHN C[C@H](NC1(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000272054495 1128105050 /nfs/dbraw/zinc/10/50/50/1128105050.db2.gz YLKLZFOIJJIGQH-AWEZNQCLSA-N 0 3 262.356 3.898 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CSCc2ccccc21 ZINC000924847614 1128114674 /nfs/dbraw/zinc/11/46/74/1128114674.db2.gz HGAIYNUTKQZUGX-WFASDCNBSA-N 0 3 274.433 3.892 20 30 CHEDHN C=CCOc1ccccc1CNCCOC(C)(C)CC ZINC000308740118 1128120490 /nfs/dbraw/zinc/12/04/90/1128120490.db2.gz ODFSJRODXXPQTD-UHFFFAOYSA-N 0 3 277.408 3.546 20 30 CHEDHN C#CC[C@@H](N[C@@H](C)C1(Br)CC1)c1ccccc1 ZINC000925634010 1128135197 /nfs/dbraw/zinc/13/51/97/1128135197.db2.gz HRDUIKMAJQZTFW-GXTWGEPZSA-N 0 3 292.220 3.657 20 30 CHEDHN COCC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(C)o1 ZINC000926110024 1128155336 /nfs/dbraw/zinc/15/53/36/1128155336.db2.gz PBTGERGBIFNLNW-GXTWGEPZSA-N 0 3 278.396 3.584 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCCOc2c(F)cccc21 ZINC000926112153 1128155453 /nfs/dbraw/zinc/15/54/53/1128155453.db2.gz NASMPSSENMXYNB-IUODEOHRSA-N 0 3 290.382 3.957 20 30 CHEDHN C=CCOCCN[C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926115426 1128156115 /nfs/dbraw/zinc/15/61/15/1128156115.db2.gz JZGZCVIOVQVZHX-VIFPVBQESA-N 0 3 279.327 3.620 20 30 CHEDHN C=CC(C)(C)CCCN[C@@H]1CCCc2oc(C)nc21 ZINC000926824787 1128197011 /nfs/dbraw/zinc/19/70/11/1128197011.db2.gz ZAMGAUNPRCJSMU-CYBMUJFWSA-N 0 3 262.397 3.942 20 30 CHEDHN CSc1ccc(CN[C@@H](C)C2(Cl)CC2)cc1C#N ZINC000926867256 1128199177 /nfs/dbraw/zinc/19/91/77/1128199177.db2.gz BUOUQXMRHFTMIA-JTQLQIEISA-N 0 3 280.824 3.530 20 30 CHEDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)c([O-])c1 ZINC000926967867 1128206552 /nfs/dbraw/zinc/20/65/52/1128206552.db2.gz XPJWEXTWYDFOBS-AWEZNQCLSA-N 0 3 280.371 3.732 20 30 CHEDHN C=CCN(C/C=C\c1ccncc1)Cc1ccccc1 ZINC000495077028 1128228915 /nfs/dbraw/zinc/22/89/15/1128228915.db2.gz CBLBHIPSPZCNLI-TWGQIWQCSA-N 0 3 264.372 3.783 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1cc(F)cc(F)c1 ZINC000495126830 1128235163 /nfs/dbraw/zinc/23/51/63/1128235163.db2.gz JBVMDQTXXFQWTE-UHFFFAOYSA-N 0 3 277.314 3.789 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]1c1ccccn1 ZINC000929811051 1128288348 /nfs/dbraw/zinc/28/83/48/1128288348.db2.gz GIIYIRLSVYDAHD-LJQANCHMSA-N 0 3 291.398 3.907 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]1c1cccnc1 ZINC000930116469 1128301332 /nfs/dbraw/zinc/30/13/32/1128301332.db2.gz WYHGUEIZRRFMNC-LJQANCHMSA-N 0 3 291.398 3.907 20 30 CHEDHN N#Cc1cccc(C2(N[C@@H]3CCc4cc(F)ccc43)CC2)c1 ZINC000272297493 1128325852 /nfs/dbraw/zinc/32/58/52/1128325852.db2.gz QTRUSYMSSJNMGW-GOSISDBHSA-N 0 3 292.357 3.964 20 30 CHEDHN N#CC[C@H]1CCCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000930923349 1128340153 /nfs/dbraw/zinc/34/01/53/1128340153.db2.gz OEJBZWNCTIGTAW-KBMXLJTQSA-N 0 3 290.357 3.661 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000930925950 1128340168 /nfs/dbraw/zinc/34/01/68/1128340168.db2.gz XLBJVJSLAVSBQR-IRXDYDNUSA-N 0 3 290.451 3.884 20 30 CHEDHN N#CC1CCC(CN[C@@H](CF)c2ccc(F)cc2)CC1 ZINC000931558773 1128368460 /nfs/dbraw/zinc/36/84/60/1128368460.db2.gz UIFZQCNSQAVKCU-ZUEPYMLJSA-N 0 3 278.346 3.756 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccsc2)c([O-])c1 ZINC000915980678 1128399810 /nfs/dbraw/zinc/39/98/10/1128399810.db2.gz YRGNGJAIVWXEDH-GZTJUZNOSA-N 0 3 288.416 3.919 20 30 CHEDHN C[C@H](CCC#N)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932214894 1128400357 /nfs/dbraw/zinc/40/03/57/1128400357.db2.gz SCFYLLSGLNBQCQ-HIFRSBDPSA-N 0 3 270.376 3.715 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933272701 1128432624 /nfs/dbraw/zinc/43/26/24/1128432624.db2.gz OUFJZUHNHKCWBZ-QWRGUYRKSA-N 0 3 278.783 3.618 20 30 CHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2C(C)C)CCC1 ZINC000933302843 1128433324 /nfs/dbraw/zinc/43/33/24/1128433324.db2.gz JAMUJIPLLVPIGY-HNNXBMFYSA-N 0 3 298.430 3.673 20 30 CHEDHN CCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000916955487 1128465083 /nfs/dbraw/zinc/46/50/83/1128465083.db2.gz RBYVRSNQZANZNU-WFASDCNBSA-N 0 3 286.375 3.648 20 30 CHEDHN C#CCN(Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000917119753 1128484117 /nfs/dbraw/zinc/48/41/17/1128484117.db2.gz WAKNYFNRSLCVRO-IBGZPJMESA-N 0 3 261.368 3.809 20 30 CHEDHN N#CCCC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000570332906 1128621548 /nfs/dbraw/zinc/62/15/48/1128621548.db2.gz YDCFSVFOXONGPC-UHFFFAOYSA-N 0 3 298.430 3.991 20 30 CHEDHN C=CC1CCN(Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000600683428 1128677568 /nfs/dbraw/zinc/67/75/68/1128677568.db2.gz YDQLQEPXHNGDKH-UHFFFAOYSA-N 0 3 298.386 3.748 20 30 CHEDHN C=CCCCCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000779020242 1128683014 /nfs/dbraw/zinc/68/30/14/1128683014.db2.gz KWQHPFHVOJSIQO-UHFFFAOYSA-N 0 3 251.345 3.710 20 30 CHEDHN C=CCCCCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000779020242 1128683016 /nfs/dbraw/zinc/68/30/16/1128683016.db2.gz KWQHPFHVOJSIQO-UHFFFAOYSA-N 0 3 251.345 3.710 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000577805566 1128690439 /nfs/dbraw/zinc/69/04/39/1128690439.db2.gz YSVLVPKHAYLFIL-UHFFFAOYSA-N 0 3 282.309 3.975 20 30 CHEDHN C[C@@H](NCC1(C#N)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000578708064 1128727083 /nfs/dbraw/zinc/72/70/83/1128727083.db2.gz UTONOAHLWHFTLT-OUAUKWLOSA-N 0 3 280.824 3.787 20 30 CHEDHN C=CC[C@@H](C)NCc1csc(-c2cccs2)n1 ZINC000116927239 1117767026 /nfs/dbraw/zinc/76/70/26/1117767026.db2.gz DDBZZAGQLCHJAP-SNVBAGLBSA-N 0 3 264.419 3.926 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2cccc(C3CC3)c2)n1 ZINC000654968828 1117825161 /nfs/dbraw/zinc/82/51/61/1117825161.db2.gz NALOWVNNVGFHIN-AWEZNQCLSA-N 0 3 282.368 3.819 20 30 CHEDHN C=CC(C)(C)CCNCc1ncc(Br)s1 ZINC000623592906 1117876415 /nfs/dbraw/zinc/87/64/15/1117876415.db2.gz IFLWFMJTHNOIDJ-UHFFFAOYSA-N 0 3 289.242 3.598 20 30 CHEDHN CCCN(Cc1ccccc1O)Cc1ccc(C#N)cc1F ZINC000075829160 1128741876 /nfs/dbraw/zinc/74/18/76/1128741876.db2.gz HQKASYZLLRDSTD-UHFFFAOYSA-N 0 3 298.361 3.815 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000122885715 1117924942 /nfs/dbraw/zinc/92/49/42/1117924942.db2.gz VGAKMDROCLBTMB-CQSZACIVSA-N 0 3 275.355 3.623 20 30 CHEDHN C=CCCCCCN[C@@H]1CCCc2scnc21 ZINC000624009336 1117969580 /nfs/dbraw/zinc/96/95/80/1117969580.db2.gz UYDHZFHZERLGTC-GFCCVEGCSA-N 0 3 250.411 3.857 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCOCC2(CCCC2)C1 ZINC000615446184 1128749088 /nfs/dbraw/zinc/74/90/88/1128749088.db2.gz DXOXWWAAHGRZNS-OAHLLOKOSA-N 0 3 284.403 3.512 20 30 CHEDHN C=CCCCCCN1CCc2nc(Cl)ccc2C1 ZINC001209427351 1118050225 /nfs/dbraw/zinc/05/02/25/1118050225.db2.gz OLMVREBENFDWHV-UHFFFAOYSA-N 0 3 264.800 3.840 20 30 CHEDHN Cc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237701517 1128752567 /nfs/dbraw/zinc/75/25/67/1128752567.db2.gz COVAKPKUVWKDPO-HNNXBMFYSA-N 0 3 280.371 3.576 20 30 CHEDHN C=CCCCCCCN1CCC(O)(C(F)(F)F)CC1 ZINC001209431008 1118051940 /nfs/dbraw/zinc/05/19/40/1118051940.db2.gz GRDBKDOTFLPDCI-UHFFFAOYSA-N 0 3 279.346 3.512 20 30 CHEDHN C[C@@H](NCCCCC#N)c1nc(C(C)(C)C)cs1 ZINC000184466047 1118054465 /nfs/dbraw/zinc/05/44/65/1118054465.db2.gz IAVXZYKGGNUTGQ-LLVKDONJSA-N 0 3 265.426 3.785 20 30 CHEDHN C=CCCCCCCCCN1C[C@H](F)C[C@@H](CO)C1 ZINC001209443184 1118061189 /nfs/dbraw/zinc/06/11/89/1118061189.db2.gz NZCKSJJSNUXWDZ-HZPDHXFCSA-N 0 3 271.420 3.555 20 30 CHEDHN C[C@H](C#N)CN[C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000185573817 1118062606 /nfs/dbraw/zinc/06/26/06/1118062606.db2.gz STGCXALGOUCPQZ-NEPJUHHUSA-N 0 3 284.325 3.776 20 30 CHEDHN C[C@H](CCc1cccc(C(F)(F)F)c1)NC[C@H](C)C#N ZINC000185573831 1118062714 /nfs/dbraw/zinc/06/27/14/1118062714.db2.gz STGCXALGOUCPQZ-VXGBXAGGSA-N 0 3 284.325 3.776 20 30 CHEDHN C=CCC[C@@H](C)NCc1nccn1CCCc1ccccc1 ZINC000185662290 1118063946 /nfs/dbraw/zinc/06/39/46/1118063946.db2.gz AQQZWAYQMYBRNC-QGZVFWFLSA-N 0 3 297.446 3.960 20 30 CHEDHN C=CCCCCCCCCN1CCOC2(CC2)C1 ZINC001209446425 1118064590 /nfs/dbraw/zinc/06/45/90/1118064590.db2.gz YQJDBCVIYVKMLE-UHFFFAOYSA-N 0 3 251.414 3.768 20 30 CHEDHN CC[C@@]1(C)CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000340193676 1118108171 /nfs/dbraw/zinc/10/81/71/1118108171.db2.gz CNIIHLXUQBEOKF-KRWDZBQOSA-N 0 3 272.392 3.579 20 30 CHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1 ZINC000131471334 1118290867 /nfs/dbraw/zinc/29/08/67/1118290867.db2.gz FUDJGNHABZCZRF-LRDDRELGSA-N 0 3 298.386 3.648 20 30 CHEDHN C=CCC1(NCc2c(F)cncc2F)CCCCC1 ZINC001654518095 1118301544 /nfs/dbraw/zinc/30/15/44/1118301544.db2.gz FQXUTLUVIYBWLX-UHFFFAOYSA-N 0 3 266.335 3.728 20 30 CHEDHN CCn1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000616129683 1128776758 /nfs/dbraw/zinc/77/67/58/1128776758.db2.gz RFFSSAJTJSDMKR-AWEZNQCLSA-N 0 3 267.376 3.573 20 30 CHEDHN Cc1cc(CN2CCC(CC#N)CC2)cc(C)c1F ZINC001143381461 1118516046 /nfs/dbraw/zinc/51/60/46/1118516046.db2.gz BKTNJKVMFAFGRP-UHFFFAOYSA-N 0 3 260.356 3.568 20 30 CHEDHN CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1OC(F)F ZINC000537855026 1118528794 /nfs/dbraw/zinc/52/87/94/1118528794.db2.gz RIELNDASIAXVNS-FZMZJTMJSA-N 0 3 294.345 3.923 20 30 CHEDHN N#Cc1csc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000334194131 1118546355 /nfs/dbraw/zinc/54/63/55/1118546355.db2.gz ITYWMHCGACONKM-OAHLLOKOSA-N 0 3 272.348 3.536 20 30 CHEDHN CN1CCC[C@H](NCc2cc(C#N)cs2)c2ccccc21 ZINC000334579694 1118556274 /nfs/dbraw/zinc/55/62/74/1118556274.db2.gz MRHDCIZWTKFDPI-INIZCTEOSA-N 0 3 297.427 3.681 20 30 CHEDHN N#Cc1ccc(CNCc2ccc(-c3cccnc3)cc2)cc1 ZINC000080536878 1128785798 /nfs/dbraw/zinc/78/57/98/1128785798.db2.gz QSFYWQDIQLHFJP-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(F)cc2)c1 ZINC000073012662 1118609626 /nfs/dbraw/zinc/60/96/26/1118609626.db2.gz DVKDFNFLCISCBE-QGZVFWFLSA-N 0 3 298.361 3.796 20 30 CHEDHN C#CCOc1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000160965862 1118630811 /nfs/dbraw/zinc/63/08/11/1118630811.db2.gz QLQBWBAEBRSKAH-KRWDZBQOSA-N 0 3 297.423 3.927 20 30 CHEDHN C[C@@H]1[C@@H](C)CCCN1CC#Cc1ccc(Cl)cc1 ZINC001167478351 1118669435 /nfs/dbraw/zinc/66/94/35/1118669435.db2.gz OUIDYTOHNIOYRV-UONOGXRCSA-N 0 3 261.796 3.812 20 30 CHEDHN C[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC001167478350 1118669686 /nfs/dbraw/zinc/66/96/86/1118669686.db2.gz OUIDYTOHNIOYRV-KGLIPLIRSA-N 0 3 261.796 3.812 20 30 CHEDHN C=CC[C@H](CO)NCc1c(Cl)cccc1SC(C)C ZINC000684395956 1118677993 /nfs/dbraw/zinc/67/79/93/1118677993.db2.gz LHHBQENQGIAIPH-GFCCVEGCSA-N 0 3 299.867 3.867 20 30 CHEDHN C[C@H]1CC[C@H](C)N(CC#Cc2cccc(Cl)c2)C1 ZINC001167483200 1118697007 /nfs/dbraw/zinc/69/70/07/1118697007.db2.gz VHSVABWROUAAES-KBPBESRZSA-N 0 3 261.796 3.812 20 30 CHEDHN N#Cc1ccc(CN2CCC23CCCCC3)cc1F ZINC000707268718 1118699079 /nfs/dbraw/zinc/69/90/79/1118699079.db2.gz WDBGICYRVKEBFC-UHFFFAOYSA-N 0 3 258.340 3.606 20 30 CHEDHN N#Cc1cc(CN2CCC23CCCCC3)ccc1F ZINC000707346471 1118715362 /nfs/dbraw/zinc/71/53/62/1118715362.db2.gz JXVFZKCWYPOFAO-UHFFFAOYSA-N 0 3 258.340 3.606 20 30 CHEDHN CC1(C)C[C@@H](NCC2(CC#N)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000430726888 1118765112 /nfs/dbraw/zinc/76/51/12/1118765112.db2.gz WLTSNBUYIRQHJG-OAHLLOKOSA-N 0 3 299.374 3.601 20 30 CHEDHN CC#CCCNCc1cc(Cl)ccc1OCC1CC1 ZINC000430777450 1118770006 /nfs/dbraw/zinc/77/00/06/1118770006.db2.gz WJEBGUZBFYMWLY-UHFFFAOYSA-N 0 3 277.795 3.632 20 30 CHEDHN N#Cc1ccc(CN2C3CCCC2CCC3)cc1F ZINC000616757179 1128799923 /nfs/dbraw/zinc/79/99/23/1128799923.db2.gz PXCVETMJZFSUFU-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN CN(CC[C@@H]1CCCC1(F)F)Cc1cc(C#N)cs1 ZINC000933769650 1118792642 /nfs/dbraw/zinc/79/26/42/1118792642.db2.gz BJKNISGOYAZARN-LBPRGKRZSA-N 0 3 284.375 3.877 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CC2)c(OC(F)F)c1 ZINC000610613810 1118798063 /nfs/dbraw/zinc/79/80/63/1118798063.db2.gz VLXDINRIZKLFFB-CQSZACIVSA-N 0 3 292.329 3.534 20 30 CHEDHN N#CC1(F)CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000510917299 1118850627 /nfs/dbraw/zinc/85/06/27/1118850627.db2.gz OHMJFTBHIOGGIT-UHFFFAOYSA-N 0 3 280.774 3.600 20 30 CHEDHN CN(Cc1ccc(C#N)o1)[C@H]1CCCc2ccccc21 ZINC000535781700 1118884705 /nfs/dbraw/zinc/88/47/05/1118884705.db2.gz GPDGXHHSIFCCRW-KRWDZBQOSA-N 0 3 266.344 3.661 20 30 CHEDHN Cc1ccccc1[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610991437 1118916465 /nfs/dbraw/zinc/91/64/65/1118916465.db2.gz JKVQHSZUXZDUEF-GOSISDBHSA-N 0 3 277.371 3.599 20 30 CHEDHN CCCc1csc(CNCC(C)(C)CCC#N)n1 ZINC000342294473 1118968922 /nfs/dbraw/zinc/96/89/22/1118968922.db2.gz HIQUIRCIOARYPT-UHFFFAOYSA-N 0 3 265.426 3.515 20 30 CHEDHN CC1(c2ccccc2)CCN(Cc2ccc(C#N)nc2)CC1 ZINC001140546675 1118996462 /nfs/dbraw/zinc/99/64/62/1118996462.db2.gz QBJDDIJSTMKILX-UHFFFAOYSA-N 0 3 291.398 3.507 20 30 CHEDHN CC(C)(C#N)CCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000119662273 1118996952 /nfs/dbraw/zinc/99/69/52/1118996952.db2.gz BVSMMHOLBQQAPB-UHFFFAOYSA-N 0 3 290.382 3.609 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@@H]1C ZINC000162935639 1119021141 /nfs/dbraw/zinc/02/11/41/1119021141.db2.gz LBLFGPQQAPTWCJ-RYUDHWBXSA-N 0 3 262.784 3.690 20 30 CHEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000342765568 1119158202 /nfs/dbraw/zinc/15/82/02/1119158202.db2.gz PMXUBTAHGVKESY-WBVHZDCISA-N 0 3 288.435 3.540 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2cccs2)cc1 ZINC000237509190 1119207350 /nfs/dbraw/zinc/20/73/50/1119207350.db2.gz PXFLXYUZOCWWEY-CYBMUJFWSA-N 0 3 271.385 3.611 20 30 CHEDHN C[C@H]1CCCN(Cc2cc(C#N)ccc2Cl)[C@H]1C ZINC001140601124 1119240418 /nfs/dbraw/zinc/24/04/18/1119240418.db2.gz HGVVSSMLJHFCQA-RYUDHWBXSA-N 0 3 262.784 3.832 20 30 CHEDHN C=CCOc1cccc(CN[C@H]2CCc3ccc(O)cc32)c1 ZINC000657690830 1119248775 /nfs/dbraw/zinc/24/87/75/1119248775.db2.gz BEFGWOYXNVWQCY-IBGZPJMESA-N 0 3 295.382 3.734 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000052038856 1119270704 /nfs/dbraw/zinc/27/07/04/1119270704.db2.gz FEXUOMGJNOAOFD-UHFFFAOYSA-N 0 3 280.371 3.589 20 30 CHEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000185764626 1119279401 /nfs/dbraw/zinc/27/94/01/1119279401.db2.gz GDCCPFGAONQANF-MDZLAQPJSA-N 0 3 264.319 3.698 20 30 CHEDHN C=CCCN(C)Cc1cccc(F)c1OCC(F)(F)F ZINC000628247293 1128835051 /nfs/dbraw/zinc/83/50/51/1128835051.db2.gz VHBRCTNMUVUZQS-UHFFFAOYSA-N 0 3 291.288 3.775 20 30 CHEDHN CC(C)c1csc(CNCC(C)(C)CCC#N)n1 ZINC000125581332 1119334853 /nfs/dbraw/zinc/33/48/53/1119334853.db2.gz LVLWHQZJETVWCV-UHFFFAOYSA-N 0 3 265.426 3.686 20 30 CHEDHN N#CCCCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157094415 1119381233 /nfs/dbraw/zinc/38/12/33/1119381233.db2.gz XZCRJIFILBWFHX-CQSZACIVSA-N 0 3 292.810 3.735 20 30 CHEDHN CCCN(CC1(C#N)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000343321972 1119386097 /nfs/dbraw/zinc/38/60/97/1119386097.db2.gz PGTJSFCTYMTVRZ-CVEARBPZSA-N 0 3 290.451 3.740 20 30 CHEDHN COc1ccc(C[C@H](C)CN(CCC#N)C(C)C)cc1F ZINC000569634056 1119402855 /nfs/dbraw/zinc/40/28/55/1119402855.db2.gz LPQUUVRGNVOUIM-AWEZNQCLSA-N 0 3 292.398 3.637 20 30 CHEDHN C=CCC(CC=C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000343623645 1119472851 /nfs/dbraw/zinc/47/28/51/1119472851.db2.gz PFGDHUFGFBXYTH-UHFFFAOYSA-N 0 3 286.419 3.764 20 30 CHEDHN N#CCOc1ccc(CNCc2coc3ccccc23)cc1 ZINC000179082134 1119508038 /nfs/dbraw/zinc/50/80/38/1119508038.db2.gz YVMNPBDHEFRGPF-UHFFFAOYSA-N 0 3 292.338 3.625 20 30 CHEDHN C=C(CNCc1c(C)nn(CCC)c1C)c1ccccc1 ZINC000343761446 1119510593 /nfs/dbraw/zinc/51/05/93/1119510593.db2.gz HKLAUYVQVHJNBN-UHFFFAOYSA-N 0 3 283.419 3.713 20 30 CHEDHN CCS[C@H]1CCCC[C@@H]1NCc1ccccc1C#N ZINC000179095209 1119548064 /nfs/dbraw/zinc/54/80/64/1119548064.db2.gz HCKRUBZJZXKFAI-HOTGVXAUSA-N 0 3 274.433 3.712 20 30 CHEDHN C[C@@H](NCc1ccc2c(c1)CCC2)c1ccc(C#N)cc1 ZINC000070498529 1119591084 /nfs/dbraw/zinc/59/10/84/1119591084.db2.gz BEYSIMSLNHNJFZ-CQSZACIVSA-N 0 3 276.383 3.898 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ncccc2C)c([O-])c1 ZINC000255599182 1119596888 /nfs/dbraw/zinc/59/68/88/1119596888.db2.gz NUQBBQFWAYRRSY-UNOMPAQXSA-N 0 3 297.402 3.561 20 30 CHEDHN CC[C@@H](C)N(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000721598681 1119599422 /nfs/dbraw/zinc/59/94/22/1119599422.db2.gz UFBDYTJHJYRGAX-OAHLLOKOSA-N 0 3 279.387 3.754 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cccc(OC)c2OC(F)F)C1 ZINC000628405156 1128856830 /nfs/dbraw/zinc/85/68/30/1128856830.db2.gz FFFGVXBCKDFXFT-LBPRGKRZSA-N 0 3 297.345 3.695 20 30 CHEDHN Cc1cc([C@H](C)NCc2cccc(C#N)c2)cs1 ZINC000294286907 1119628410 /nfs/dbraw/zinc/62/84/10/1119628410.db2.gz TWCNUSHSJUYJOQ-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN N#CC(C(=O)c1ccccc1)c1nc(C2CC2)cs1 ZINC000647371738 1119699519 /nfs/dbraw/zinc/69/95/19/1119699519.db2.gz XUGMGMKIAIJNLO-LBPRGKRZSA-N 0 3 268.341 3.511 20 30 CHEDHN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)c1ccc2ccccc2n1 ZINC000892427468 1119707469 /nfs/dbraw/zinc/70/74/69/1119707469.db2.gz NKXFKNFBDTVXCP-JYJNAYRXSA-N 0 3 290.366 3.847 20 30 CHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000658332712 1119729106 /nfs/dbraw/zinc/72/91/06/1119729106.db2.gz GFYUKHQKAFVFAO-GXTWGEPZSA-N 0 3 273.401 3.613 20 30 CHEDHN CC[C@@H](NCC(C)(C)CC#N)c1cc(F)ccc1F ZINC000414162757 1119922035 /nfs/dbraw/zinc/92/20/35/1119922035.db2.gz HQVRKXOEYSKDNI-CQSZACIVSA-N 0 3 266.335 3.945 20 30 CHEDHN C[C@H]1CCCN(Cc2cccc(C#N)c2Cl)CC1 ZINC001140808020 1119957364 /nfs/dbraw/zinc/95/73/64/1119957364.db2.gz JRWWGSNBKMTALP-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN C=C(Br)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000167346608 1120079676 /nfs/dbraw/zinc/07/96/76/1120079676.db2.gz NRMOKMXNLNUJKK-GFCCVEGCSA-N 0 3 282.225 3.851 20 30 CHEDHN C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(F)ccc1[O-] ZINC000273350649 1120108085 /nfs/dbraw/zinc/10/80/85/1120108085.db2.gz BPZNSKKUABGUGE-GFCCVEGCSA-N 0 3 296.345 3.743 20 30 CHEDHN COc1ccc(C2CC2)cc1CN[C@H](C)CC(C)(C)C#N ZINC000926842278 1120136234 /nfs/dbraw/zinc/13/62/34/1120136234.db2.gz DMZDLUDILYMDLU-CYBMUJFWSA-N 0 3 286.419 3.991 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCCCC23CCCC3)n1 ZINC000361235470 1120185611 /nfs/dbraw/zinc/18/56/11/1120185611.db2.gz BPJWIZNSOPDHBR-ZDUSSCGKSA-N 0 3 275.421 3.607 20 30 CHEDHN N#Cc1ccccc1CN1CCC2(C1)CCCCC2 ZINC000303944382 1120189693 /nfs/dbraw/zinc/18/96/93/1120189693.db2.gz UHDMPMUQLUMGPQ-UHFFFAOYSA-N 0 3 254.377 3.714 20 30 CHEDHN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1cccc(C#N)c1 ZINC000305756606 1120223848 /nfs/dbraw/zinc/22/38/48/1120223848.db2.gz ALWDMRNGPUASCT-BEFAXECRSA-N 0 3 294.398 3.723 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CCCC3)CC2)s1 ZINC000131748103 1120225458 /nfs/dbraw/zinc/22/54/58/1120225458.db2.gz ZHHUUHIRMOWCKM-UHFFFAOYSA-N 0 3 260.406 3.776 20 30 CHEDHN C=C(C)CCNCc1cscc1Br ZINC000395662476 1120235438 /nfs/dbraw/zinc/23/54/38/1120235438.db2.gz ZKWYQQKOKLCAJU-UHFFFAOYSA-N 0 3 260.200 3.566 20 30 CHEDHN C=CCC[C@H](NCc1c2c(nn1C)CCC2)c1ccccc1 ZINC000921917531 1120280274 /nfs/dbraw/zinc/28/02/74/1120280274.db2.gz MIFOIPACPOLPBY-KRWDZBQOSA-N 0 3 295.430 3.706 20 30 CHEDHN C[C@@H]1CN(Cc2cccc(C#N)c2F)CC(C)(C)C1 ZINC000543182825 1120455084 /nfs/dbraw/zinc/45/50/84/1120455084.db2.gz ZSSFPGKSPSVBGT-LBPRGKRZSA-N 0 3 260.356 3.565 20 30 CHEDHN CCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccn1 ZINC000618567914 1128919877 /nfs/dbraw/zinc/91/98/77/1128919877.db2.gz IRGZPHLUNGJXDH-FMKPAKJESA-N 0 3 257.381 3.595 20 30 CHEDHN CCC(CC)N(Cc1cccc(F)c1C#N)C1CC1 ZINC000584506129 1120492586 /nfs/dbraw/zinc/49/25/86/1120492586.db2.gz BHIWTSMXENLCMB-UHFFFAOYSA-N 0 3 260.356 3.850 20 30 CHEDHN N#Cc1csc(CN2CCC[C@H]2c2ccccc2)c1 ZINC000123674092 1120542368 /nfs/dbraw/zinc/54/23/68/1120542368.db2.gz GGNXRODRTLFXSC-INIZCTEOSA-N 0 3 268.385 3.957 20 30 CHEDHN N#Cc1cccc(CNCc2ccc(C3CC3)cc2)c1 ZINC000094519105 1120580822 /nfs/dbraw/zinc/58/08/22/1120580822.db2.gz SPZDHEPHGVDHNE-UHFFFAOYSA-N 0 3 262.356 3.725 20 30 CHEDHN CCOc1cccc(CNCc2ccc(C)c(C#N)c2)c1 ZINC000922758487 1120593268 /nfs/dbraw/zinc/59/32/68/1120593268.db2.gz CVFCOLNVVQWCHJ-UHFFFAOYSA-N 0 3 280.371 3.555 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@H](OCC)C1CC1 ZINC000625057738 1120626691 /nfs/dbraw/zinc/62/66/91/1120626691.db2.gz ZBWGSUNTDBABJY-HNNXBMFYSA-N 0 3 265.422 3.551 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000186704412 1120645410 /nfs/dbraw/zinc/64/54/10/1120645410.db2.gz GEPFJAAQEQQRTK-ONGXEEELSA-N 0 3 274.191 3.581 20 30 CHEDHN C=C(C)[C@@H](NC[C@@H](OCC)C1CC1)c1ccc(F)c(F)c1 ZINC000625339252 1120669727 /nfs/dbraw/zinc/66/97/27/1120669727.db2.gz ISBLXOXNBOYCKB-IAGOWNOFSA-N 0 3 295.373 3.987 20 30 CHEDHN N#Cc1cc(F)ccc1CN(C1CCC1)C1CCC1 ZINC000429140542 1120676213 /nfs/dbraw/zinc/67/62/13/1120676213.db2.gz HQHMBKKQXWEZQV-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1C ZINC000618741676 1128935225 /nfs/dbraw/zinc/93/52/25/1128935225.db2.gz KHHOQEUSIISNMF-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000661379362 1120760175 /nfs/dbraw/zinc/76/01/75/1120760175.db2.gz XHBCPIQZVRISOZ-JKSUJKDBSA-N 0 3 286.419 3.610 20 30 CHEDHN CCC[C@H](C)N(C)Cc1ccc(Br)cc1C#N ZINC000383327845 1120785053 /nfs/dbraw/zinc/78/50/53/1120785053.db2.gz FRCUPQFAZAMXQF-NSHDSACASA-N 0 3 295.224 3.941 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(C)n1 ZINC000618807323 1128940711 /nfs/dbraw/zinc/94/07/11/1128940711.db2.gz XUQHNPNKULTMRP-KUHUBIRLSA-N 0 3 291.398 3.908 20 30 CHEDHN C=CCN(Cc1cnc(OC)c(Cl)c1)C(C)(C)C ZINC000661760471 1120811730 /nfs/dbraw/zinc/81/17/30/1120811730.db2.gz VCYBDNPGXANBNJ-UHFFFAOYSA-N 0 3 268.788 3.530 20 30 CHEDHN C=CCC1(NCc2nc3ccccc3o2)CCCC1 ZINC000661851976 1120824923 /nfs/dbraw/zinc/82/49/23/1120824923.db2.gz ZYIFCXQWNNOQOP-UHFFFAOYSA-N 0 3 256.349 3.806 20 30 CHEDHN CCN(CC)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000078495877 1128943001 /nfs/dbraw/zinc/94/30/01/1128943001.db2.gz JAYSAMHFJRYGGW-UHFFFAOYSA-N 0 3 293.414 3.694 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc2ccccc2o1 ZINC000662080682 1120871971 /nfs/dbraw/zinc/87/19/71/1120871971.db2.gz LQNYTPHITPIAKQ-BETUJISGSA-N 0 3 254.333 3.511 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1cccc(C#N)c1 ZINC000585726111 1121022272 /nfs/dbraw/zinc/02/22/72/1121022272.db2.gz UNJCRILAGXJUQR-YJYMSZOUSA-N 0 3 292.382 3.992 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1c[nH]nc1C(C)(C)C ZINC000512046620 1121036670 /nfs/dbraw/zinc/03/66/70/1121036670.db2.gz VLMFTGAQGCZGHX-UHFFFAOYSA-N 0 3 297.446 3.938 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001174890486 1121058007 /nfs/dbraw/zinc/05/80/07/1121058007.db2.gz HIJWPSYVLXBSEX-GFCCVEGCSA-N 0 3 260.768 3.610 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000625704428 1121063729 /nfs/dbraw/zinc/06/37/29/1121063729.db2.gz SJBKMQXWLHYJMS-CYBMUJFWSA-N 0 3 286.350 3.879 20 30 CHEDHN C=CCCCCCN(C)Cc1cnc2nc(C)cc(C)n12 ZINC000093498020 1128960909 /nfs/dbraw/zinc/96/09/09/1128960909.db2.gz YFSCNZXJOBDAID-UHFFFAOYSA-N 0 3 286.423 3.524 20 30 CHEDHN Cc1cc(CNCc2cccc(C#N)c2)cc2cccnc12 ZINC000344129885 1121097495 /nfs/dbraw/zinc/09/74/95/1121097495.db2.gz VETBYUSOBPYGHZ-UHFFFAOYSA-N 0 3 287.366 3.705 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2ccncc2CC)cc1 ZINC000773430462 1121102066 /nfs/dbraw/zinc/10/20/66/1121102066.db2.gz ZNWOTUZYKVIFID-OAHLLOKOSA-N 0 3 294.398 3.507 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)Cc2ccc(F)cc2)c1[O-] ZINC001138624957 1128974443 /nfs/dbraw/zinc/97/44/43/1128974443.db2.gz VUUQFNLDFZRUOX-UHFFFAOYSA-N 0 3 285.362 3.892 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccc(F)cc2)c1[O-] ZINC001138624957 1128974449 /nfs/dbraw/zinc/97/44/49/1128974449.db2.gz VUUQFNLDFZRUOX-UHFFFAOYSA-N 0 3 285.362 3.892 20 30 CHEDHN C=C(C)CNCc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000512390099 1121303565 /nfs/dbraw/zinc/30/35/65/1121303565.db2.gz YRFXPMLPBAUMKT-UHFFFAOYSA-N 0 3 297.446 3.895 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428739945 1121497706 /nfs/dbraw/zinc/49/77/06/1121497706.db2.gz SNMAGLFWUKNHKH-DFBGVHRSSA-N 0 3 276.330 3.596 20 30 CHEDHN C#CCC1(NCc2nc3ccccc3o2)CCCCC1 ZINC000922981074 1121505503 /nfs/dbraw/zinc/50/55/03/1121505503.db2.gz GYWMPBKROLNZIQ-UHFFFAOYSA-N 0 3 268.360 3.644 20 30 CHEDHN CC(C)(C#N)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000614182240 1121511577 /nfs/dbraw/zinc/51/15/77/1121511577.db2.gz JLBVCKISRDEBEG-UHFFFAOYSA-N 0 3 281.403 3.613 20 30 CHEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC001175983214 1121512075 /nfs/dbraw/zinc/51/20/75/1121512075.db2.gz NGRVJNVJDPPJAJ-LBPRGKRZSA-N 0 3 289.379 3.580 20 30 CHEDHN COc1cncc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433017183 1121518746 /nfs/dbraw/zinc/51/87/46/1121518746.db2.gz BBUFUVMOJQJGJJ-SFHVURJKSA-N 0 3 295.386 3.615 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001176037125 1121527907 /nfs/dbraw/zinc/52/79/07/1121527907.db2.gz QYIOCLMZYYRRCL-ZDUSSCGKSA-N 0 3 295.342 3.512 20 30 CHEDHN C=C(C)CCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000509380043 1121560718 /nfs/dbraw/zinc/56/07/18/1121560718.db2.gz RAPVHNNXEIIVEZ-GOSISDBHSA-N 0 3 266.388 3.859 20 30 CHEDHN CC[C@@H](NCc1ccnc(C#N)c1)c1ccc(C)cc1 ZINC000611376547 1121641827 /nfs/dbraw/zinc/64/18/27/1121641827.db2.gz IHALMJXWTPPWDV-QGZVFWFLSA-N 0 3 265.360 3.503 20 30 CHEDHN C[C@H](NCc1ccnc(C#N)c1)c1cccc2ccccc21 ZINC000611376665 1121642227 /nfs/dbraw/zinc/64/22/27/1121642227.db2.gz UAGOBUWCMYVKKI-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN Cc1cccc2c1OCC[C@@H]2N[C@@H](C)CC(C)(C)C#N ZINC000924884359 1121662801 /nfs/dbraw/zinc/66/28/01/1121662801.db2.gz CAYIUVAZTGDEKF-ZFWWWQNUSA-N 0 3 272.392 3.737 20 30 CHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1 ZINC000619673637 1129003153 /nfs/dbraw/zinc/00/31/53/1129003153.db2.gz NZCPQMMRVLNXJP-KPZWWZAWSA-N 0 3 278.355 3.602 20 30 CHEDHN C#C[C@@H](NC[C@@H](C)CCC#N)c1ccc(Cl)cc1 ZINC000877540949 1121704505 /nfs/dbraw/zinc/70/45/05/1121704505.db2.gz IXJDWXJEZWHYLE-SWLSCSKDSA-N 0 3 260.768 3.544 20 30 CHEDHN COc1ccc(C#N)cc1CN1CC=CC12CCCCC2 ZINC001176995525 1121705484 /nfs/dbraw/zinc/70/54/84/1121705484.db2.gz MDYMPKPMXPTFOY-UHFFFAOYSA-N 0 3 282.387 3.642 20 30 CHEDHN N#CCC1(CNCc2ccc(C(F)F)c(F)c2)CC1 ZINC000894198334 1121731944 /nfs/dbraw/zinc/73/19/44/1121731944.db2.gz ZSZGMTRIIXAMSD-UHFFFAOYSA-N 0 3 268.282 3.547 20 30 CHEDHN C=CCCn1cc(CNCC2(CC(C)C)CCCC2)nn1 ZINC001178004346 1121760386 /nfs/dbraw/zinc/76/03/86/1121760386.db2.gz DRMZENOSXMRALZ-UHFFFAOYSA-N 0 3 290.455 3.550 20 30 CHEDHN C=CCCOCCNCc1cc2cc(C)c(C)cc2o1 ZINC001178412152 1121785741 /nfs/dbraw/zinc/78/57/41/1121785741.db2.gz DFTPWSGFDYVBHL-UHFFFAOYSA-N 0 3 273.376 3.732 20 30 CHEDHN N#CCC1(CNCc2cnc(-c3cccs3)s2)CC1 ZINC000430021249 1121826144 /nfs/dbraw/zinc/82/61/44/1121826144.db2.gz RBTAMLBVGYQVNO-UHFFFAOYSA-N 0 3 289.429 3.655 20 30 CHEDHN N#Cc1ccc(CNCc2cccc3[nH]ccc32)cc1Cl ZINC000619749060 1129012102 /nfs/dbraw/zinc/01/21/02/1129012102.db2.gz ZBZYIKFODJLOPI-UHFFFAOYSA-N 0 3 295.773 3.983 20 30 CHEDHN C=CCOc1ccc(CN[C@@H]2CCCc3ncccc32)cc1 ZINC000631629646 1121978737 /nfs/dbraw/zinc/97/87/37/1121978737.db2.gz QRLJQBLDBDVXIE-LJQANCHMSA-N 0 3 294.398 3.814 20 30 CHEDHN N#CC1(CN2CCC[C@H]2CCCc2ccccc2)CC1 ZINC000501530130 1121984057 /nfs/dbraw/zinc/98/40/57/1121984057.db2.gz GGXBBELHHJWPNU-QGZVFWFLSA-N 0 3 268.404 3.777 20 30 CHEDHN N#CC1(CN2CCC[C@@H]2CCCc2ccccc2)CC1 ZINC000501530128 1121984484 /nfs/dbraw/zinc/98/44/84/1121984484.db2.gz GGXBBELHHJWPNU-KRWDZBQOSA-N 0 3 268.404 3.777 20 30 CHEDHN C=CCN(C)Cc1ccnc2c(Br)cccc12 ZINC001181057149 1122030782 /nfs/dbraw/zinc/03/07/82/1122030782.db2.gz YHUDFIHCWWWQIN-UHFFFAOYSA-N 0 3 291.192 3.615 20 30 CHEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)CCCCCCC ZINC001181133151 1122038115 /nfs/dbraw/zinc/03/81/15/1122038115.db2.gz OIFDKXMRWDQCJC-SJORKVTESA-N 0 3 294.483 3.750 20 30 CHEDHN C=CCNCc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421379788 1122105289 /nfs/dbraw/zinc/10/52/89/1122105289.db2.gz HFVJEPUBSMJANG-UHFFFAOYSA-N 0 3 281.403 3.941 20 30 CHEDHN Cc1cc(C)cc([C@H]2CCN(Cc3ccc(C#N)o3)C2)c1 ZINC000183214186 1129034867 /nfs/dbraw/zinc/03/48/67/1129034867.db2.gz SPLNEAOWTQCGRJ-HNNXBMFYSA-N 0 3 280.371 3.758 20 30 CHEDHN CCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000035053460 1122158938 /nfs/dbraw/zinc/15/89/38/1122158938.db2.gz UIZODYUGVXKPON-CQSZACIVSA-N 0 3 280.371 3.808 20 30 CHEDHN CCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000035053461 1122159299 /nfs/dbraw/zinc/15/92/99/1122159299.db2.gz UIZODYUGVXKPON-AWEZNQCLSA-N 0 3 280.371 3.808 20 30 CHEDHN C=CC[C@@H](NCc1cccc2c1NCCC2)c1ccncc1 ZINC000894272502 1122257567 /nfs/dbraw/zinc/25/75/67/1122257567.db2.gz CKHASFWIGQSOKC-GOSISDBHSA-N 0 3 293.414 3.847 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(F)cc2C)cc1 ZINC001203602523 1122303669 /nfs/dbraw/zinc/30/36/69/1122303669.db2.gz BQGGTOCFANQZSY-OAHLLOKOSA-N 0 3 297.373 3.997 20 30 CHEDHN C=CCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076154180 1129047498 /nfs/dbraw/zinc/04/74/98/1129047498.db2.gz HGITVTYIEHAZFZ-IRXDYDNUSA-N 0 3 254.377 3.724 20 30 CHEDHN CCC[N@H+](Cc1ccc(C#N)c(C)c1)Cc1ccccc1[O-] ZINC000774869516 1122337482 /nfs/dbraw/zinc/33/74/82/1122337482.db2.gz LTJIRQLHVNHURB-UHFFFAOYSA-N 0 3 294.398 3.985 20 30 CHEDHN CCC[N@@H+](Cc1ccc(C#N)c(C)c1)Cc1ccccc1[O-] ZINC000774869516 1122337487 /nfs/dbraw/zinc/33/74/87/1122337487.db2.gz LTJIRQLHVNHURB-UHFFFAOYSA-N 0 3 294.398 3.985 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000505264130 1122353278 /nfs/dbraw/zinc/35/32/78/1122353278.db2.gz ALABKICUUUHCPE-FUHWJXTLSA-N 0 3 294.373 3.933 20 30 CHEDHN C=CCC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203627760 1122363130 /nfs/dbraw/zinc/36/31/30/1122363130.db2.gz NMWDXFCKAAHKLN-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203627760 1122363134 /nfs/dbraw/zinc/36/31/34/1122363134.db2.gz NMWDXFCKAAHKLN-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C=CCOc1ccc(CN(C)Cc2ccccc2)cc1OC ZINC000435242406 1122448151 /nfs/dbraw/zinc/44/81/51/1122448151.db2.gz ZECYKNJNKDQOGN-UHFFFAOYSA-N 0 3 297.398 3.892 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(C)cc(C)n1 ZINC001190349047 1122534817 /nfs/dbraw/zinc/53/48/17/1122534817.db2.gz QFXQLPPYMWKBFC-UHFFFAOYSA-N 0 3 293.414 3.982 20 30 CHEDHN CC[C@](C)(NCc1cc(C#N)ccc1OC)c1ccccc1 ZINC000775389730 1122539495 /nfs/dbraw/zinc/53/94/95/1122539495.db2.gz XYKFQSISHIDVAE-IBGZPJMESA-N 0 3 294.398 3.982 20 30 CHEDHN Cc1ccc(CNCC(C)(C)CC#N)c(Cl)c1 ZINC000515854410 1122545293 /nfs/dbraw/zinc/54/52/93/1122545293.db2.gz UESLOXAXJYDFGE-UHFFFAOYSA-N 0 3 250.773 3.678 20 30 CHEDHN Cc1ccc(CN2CCc3cc(C#N)ccc3C2)c(C)c1 ZINC001203729118 1122559878 /nfs/dbraw/zinc/55/98/78/1122559878.db2.gz JTGXWLALVLPTSR-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN CCOC(=O)CC(C)(C)CCN(CCC#N)CC(C)(C)C ZINC001191132290 1122580162 /nfs/dbraw/zinc/58/01/62/1122580162.db2.gz JSCZBZQFVRCDOX-UHFFFAOYSA-N 0 3 296.455 3.618 20 30 CHEDHN C#CCN(CC)Cc1ccc(OCc2ccccc2F)cc1 ZINC001191390769 1122595365 /nfs/dbraw/zinc/59/53/65/1122595365.db2.gz PAOXTINTLJKRMB-UHFFFAOYSA-N 0 3 297.373 3.860 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)COC2 ZINC000516569401 1122612218 /nfs/dbraw/zinc/61/22/18/1122612218.db2.gz KRJZRQZMZGCOFZ-AWEZNQCLSA-N 0 3 292.382 3.634 20 30 CHEDHN C=CCOc1ccccc1CN1CCC[C@H]1c1cccn1C ZINC000506022019 1122626854 /nfs/dbraw/zinc/62/68/54/1122626854.db2.gz OJMQJQUYTSMSSX-SFHVURJKSA-N 0 3 296.414 3.927 20 30 CHEDHN CCS[C@@H]1CC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000437579539 1122642454 /nfs/dbraw/zinc/64/24/54/1122642454.db2.gz PUGPBYHCBJKLTQ-DLBZAZTESA-N 0 3 291.435 3.783 20 30 CHEDHN CCN(C[C@H](C)C#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437581384 1122643741 /nfs/dbraw/zinc/64/37/41/1122643741.db2.gz PIHJQNGFLABWMO-BPQIPLTHSA-N 0 3 270.420 3.978 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(C3CC3)cc2F)C1 ZINC000425941711 1122671017 /nfs/dbraw/zinc/67/10/17/1122671017.db2.gz CPVMYHWECYHIDP-LRDDRELGSA-N 0 3 272.367 3.875 20 30 CHEDHN C[C@H](NCc1ccccc1CF)c1ccc(C#N)cc1 ZINC001194292052 1122766177 /nfs/dbraw/zinc/76/61/77/1122766177.db2.gz UBOKCSXQTBPGDN-ZDUSSCGKSA-N 0 3 268.335 3.879 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)cc1Cl ZINC001194497342 1122781400 /nfs/dbraw/zinc/78/14/00/1122781400.db2.gz JHVVSAFFULFKQF-KGLIPLIRSA-N 0 3 286.202 3.817 20 30 CHEDHN C=C(C)CN(C)Cc1ccc2ccc(Cl)cc2n1 ZINC001196293792 1122916162 /nfs/dbraw/zinc/91/61/62/1122916162.db2.gz POWAQEYEQXRYTP-UHFFFAOYSA-N 0 3 260.768 3.896 20 30 CHEDHN C#CCN(C[C@H]1CCC(C)(C)O1)[C@H]1CCCc2ccccc21 ZINC001198105351 1122981845 /nfs/dbraw/zinc/98/18/45/1122981845.db2.gz WXFVQIATIUEWNL-MJGOQNOKSA-N 0 3 297.442 3.957 20 30 CHEDHN CCCCCCCCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC001198239495 1122984482 /nfs/dbraw/zinc/98/44/82/1122984482.db2.gz DLOHKKOUXKORRH-IAGOWNOFSA-N 0 3 283.456 3.617 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NC1(c3ccc(F)cc3)CC1)CC2 ZINC000519618588 1123002427 /nfs/dbraw/zinc/00/24/27/1123002427.db2.gz VQCJVBMBSXSTIX-SFHVURJKSA-N 0 3 292.357 3.964 20 30 CHEDHN CCN(CCNCc1csc(C#N)c1)c1ccccc1C ZINC001199353056 1123028155 /nfs/dbraw/zinc/02/81/55/1123028155.db2.gz DXEDEMYTRBPCIQ-UHFFFAOYSA-N 0 3 299.443 3.544 20 30 CHEDHN CSc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000049091579 1123096668 /nfs/dbraw/zinc/09/66/68/1123096668.db2.gz WZVCJAAIJJXBGW-UHFFFAOYSA-N 0 3 282.412 3.912 20 30 CHEDHN CCCCCCCN1CCc2ccc(C#N)cc2C1 ZINC001201761540 1123147744 /nfs/dbraw/zinc/14/77/44/1123147744.db2.gz IPNVLTVVQLKMPZ-UHFFFAOYSA-N 0 3 256.393 3.887 20 30 CHEDHN CCCCCCCCCCN1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001201853036 1123151857 /nfs/dbraw/zinc/15/18/57/1123151857.db2.gz YTRKJVHDCVNENW-KZNAEPCWSA-N 0 3 297.483 3.599 20 30 CHEDHN C[C@H](COc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000781420946 1123213867 /nfs/dbraw/zinc/21/38/67/1123213867.db2.gz NEOZGLFDZIKOSU-KGLIPLIRSA-N 0 3 298.361 3.815 20 30 CHEDHN C[C@H](NCc1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000346052186 1123232982 /nfs/dbraw/zinc/23/29/82/1123232982.db2.gz UPBLKMYKJFJMHE-NSHDSACASA-N 0 3 272.298 3.687 20 30 CHEDHN C=CCC1([NH2+]Cc2ccc(OCC)cc2[O-])CCCC1 ZINC000850388506 1123261908 /nfs/dbraw/zinc/26/19/08/1123261908.db2.gz NGHIIHOTFXWRQN-UHFFFAOYSA-N 0 3 275.392 3.769 20 30 CHEDHN C=C1CCN(C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000428214817 1123281520 /nfs/dbraw/zinc/28/15/20/1123281520.db2.gz GFKHENYWEKGRTB-QGZVFWFLSA-N 0 3 259.393 3.805 20 30 CHEDHN CC[C@H](C)Oc1cc(C)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442787265 1123339041 /nfs/dbraw/zinc/33/90/41/1123339041.db2.gz VKISLUYEFRRASD-ZMSDIMECSA-N 0 3 286.419 3.954 20 30 CHEDHN C=CCN(Cc1cc(C)nc(Cl)c1)C(C)(C)C ZINC000852554878 1123407761 /nfs/dbraw/zinc/40/77/61/1123407761.db2.gz XZZPCKBAMVUWAM-UHFFFAOYSA-N 0 3 252.789 3.830 20 30 CHEDHN C=CCC1(NCc2csc(Cl)n2)CCCC1 ZINC000852588052 1123410097 /nfs/dbraw/zinc/41/00/97/1123410097.db2.gz NGDBOKWOTIWQCD-UHFFFAOYSA-N 0 3 256.802 3.775 20 30 CHEDHN Cc1cc2ccccc2nc1N=NC1C[C@H](C)N(C2CC2)C1 ZINC000776783433 1123505861 /nfs/dbraw/zinc/50/58/61/1123505861.db2.gz AXFKALNEJORNAS-ZDUSSCGKSA-N 0 3 294.402 3.568 20 30 CHEDHN C#CCCOc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000113310963 1123518344 /nfs/dbraw/zinc/51/83/44/1123518344.db2.gz CLRUPQLIDCKQIC-UHFFFAOYSA-N 0 3 283.346 3.518 20 30 CHEDHN C#CCCOc1ccc(CNCc2cccc(C)c2)cc1 ZINC000113317228 1123518668 /nfs/dbraw/zinc/51/86/68/1123518668.db2.gz RMTJFLABJRHAFU-UHFFFAOYSA-N 0 3 279.383 3.687 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2csc(Br)c2)C1 ZINC000274213823 1129130357 /nfs/dbraw/zinc/13/03/57/1129130357.db2.gz ODOZEFAREVMLRI-MWLCHTKSSA-N 0 3 299.237 3.683 20 30 CHEDHN CN(Cc1cc(Br)ccc1C#N)C1CCCC1 ZINC001141903051 1123602761 /nfs/dbraw/zinc/60/27/61/1123602761.db2.gz OLCQXYHDYFTDQF-UHFFFAOYSA-N 0 3 293.208 3.695 20 30 CHEDHN CCC[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000194583330 1129136334 /nfs/dbraw/zinc/13/63/34/1129136334.db2.gz SZDUONFDKOXOJC-RYUDHWBXSA-N 0 3 270.332 3.830 20 30 CHEDHN CCc1ccc([C@H]2C[C@@H](C)CCN2CCOCCC#N)o1 ZINC000339012655 1123669769 /nfs/dbraw/zinc/66/97/69/1123669769.db2.gz UIHRDFLFDHCIRD-GOEBONIOSA-N 0 3 290.407 3.545 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)cc1C#N ZINC000859228825 1123692033 /nfs/dbraw/zinc/69/20/33/1123692033.db2.gz CLJHJHMATGZKNR-CQSZACIVSA-N 0 3 292.382 3.652 20 30 CHEDHN CC(C)c1cccc2c1OCCC[C@H]2NCCCC#N ZINC000346821931 1123716941 /nfs/dbraw/zinc/71/69/41/1123716941.db2.gz GSYVVMRFQSBGGC-MRXNPFEDSA-N 0 3 272.392 3.917 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000862442303 1123809773 /nfs/dbraw/zinc/80/97/73/1123809773.db2.gz BKRROJIAFFLPFV-GFCCVEGCSA-N 0 3 267.294 3.551 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)Cc1cccc(O)c1 ZINC000475275826 1123831378 /nfs/dbraw/zinc/83/13/78/1123831378.db2.gz GXZJMIRSFNSPDQ-UHFFFAOYSA-N 0 3 267.372 3.971 20 30 CHEDHN C#CCN(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000195732879 1129148989 /nfs/dbraw/zinc/14/89/89/1129148989.db2.gz SQLUODWASIRWNH-NSHDSACASA-N 0 3 255.283 3.722 20 30 CHEDHN CCOc1cc(C)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000192952403 1123868363 /nfs/dbraw/zinc/86/83/63/1123868363.db2.gz YMFACWYPEUBGNP-ZBFHGGJFSA-N 0 3 272.392 3.566 20 30 CHEDHN Cc1cccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)c1C#N ZINC000863690285 1123890617 /nfs/dbraw/zinc/89/06/17/1123890617.db2.gz OPVRZCOKQYKMMQ-IFXJQAMLSA-N 0 3 292.382 3.583 20 30 CHEDHN Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1ccc([O-])cc1C#N ZINC000863722664 1123893217 /nfs/dbraw/zinc/89/32/17/1123893217.db2.gz IRLXMQUIESYLFU-SFHVURJKSA-N 0 3 278.355 3.664 20 30 CHEDHN CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(C)cc1[O-] ZINC000794799253 1123950948 /nfs/dbraw/zinc/95/09/48/1123950948.db2.gz ZYGMFTXRRBFAAW-KRWDZBQOSA-N 0 3 280.371 3.813 20 30 CHEDHN C=C(C)COCCNc1ccnc2ccc(C)cc21 ZINC000302204014 1123961046 /nfs/dbraw/zinc/96/10/46/1123961046.db2.gz CGHVREZTACPLPT-UHFFFAOYSA-N 0 3 256.349 3.548 20 30 CHEDHN C=CCCC[C@@H](C)NCc1cccnc1Br ZINC000865521926 1123992142 /nfs/dbraw/zinc/99/21/42/1123992142.db2.gz GYFDTMOZSKGLEM-LLVKDONJSA-N 0 3 283.213 3.679 20 30 CHEDHN C=CC(C)(C)CCNCc1cccnc1Br ZINC000865639113 1124002027 /nfs/dbraw/zinc/00/20/27/1124002027.db2.gz NXACDMGGLPMLFJ-UHFFFAOYSA-N 0 3 283.213 3.536 20 30 CHEDHN Clc1ccc([C@H]2CCCCCC2=Nn2cnnc2)cc1 ZINC000794857734 1124004512 /nfs/dbraw/zinc/00/45/12/1124004512.db2.gz WYXRGJBOUXVXJC-CQSZACIVSA-N 0 3 288.782 3.884 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866351627 1124056504 /nfs/dbraw/zinc/05/65/04/1124056504.db2.gz QRTNMQZHQZSFNE-SNVBAGLBSA-N 0 3 289.766 3.826 20 30 CHEDHN C=CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000428376350 1124059683 /nfs/dbraw/zinc/05/96/83/1124059683.db2.gz FISLXBHFDLZJJK-UHFFFAOYSA-N 0 3 288.372 3.941 20 30 CHEDHN CC(C)[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000444773906 1124062808 /nfs/dbraw/zinc/06/28/08/1124062808.db2.gz TZWWDVYXYSDKOW-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN Cc1cc(Cl)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000357789123 1124108769 /nfs/dbraw/zinc/10/87/69/1124108769.db2.gz ADJISDDFOQWTHH-AWEZNQCLSA-N 0 3 299.761 3.545 20 30 CHEDHN C=CCN(CC=C)Cc1c(C)cc(OC)c(C)c1C ZINC001138725104 1129166704 /nfs/dbraw/zinc/16/67/04/1129166704.db2.gz PQKVMQGUKANXAO-UHFFFAOYSA-N 0 3 259.393 3.794 20 30 CHEDHN CC[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000446732987 1124119264 /nfs/dbraw/zinc/11/92/64/1124119264.db2.gz YNOIEVYVOKOAQO-CYBMUJFWSA-N 0 3 281.321 3.789 20 30 CHEDHN CC1(C#N)CCN([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170935948 1131259246 /nfs/dbraw/zinc/25/92/46/1131259246.db2.gz VVGNJRRFLASNPU-CQSZACIVSA-N 0 3 288.822 3.823 20 30 CHEDHN CC[C@H](NCc1ccc2c(c1)COC2)c1ccc(C#N)cc1 ZINC000447589686 1124494189 /nfs/dbraw/zinc/49/41/89/1124494189.db2.gz YPRMTGFWCLXMLD-IBGZPJMESA-N 0 3 292.382 3.829 20 30 CHEDHN C[C@H](C#N)CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000526986003 1124538993 /nfs/dbraw/zinc/53/89/93/1124538993.db2.gz RSFHGYIUYYMZDE-VPOLOUISSA-N 0 3 268.813 3.643 20 30 CHEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872131469 1124691376 /nfs/dbraw/zinc/69/13/76/1124691376.db2.gz UXHNZDQNJBNJQN-LOWVWBTDSA-N 0 3 297.324 3.833 20 30 CHEDHN CN(Cc1ccc(/C=C/c2ccc(C#N)cc2)nc1)C1CC1 ZINC001239284456 1131310694 /nfs/dbraw/zinc/31/06/94/1131310694.db2.gz NCKITSKNQQLBPB-SOFGYWHQSA-N 0 3 289.382 3.718 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCCC12CC2)c1ccc2ccccc2n1 ZINC000528915606 1124841620 /nfs/dbraw/zinc/84/16/20/1124841620.db2.gz UDMDIPPCTHQGAT-CABCVRRESA-N 0 3 290.366 3.991 20 30 CHEDHN CC(C)(c1ccc(F)cc1)C1(NCc2ccc(C#N)o2)CC1 ZINC000449697353 1124842963 /nfs/dbraw/zinc/84/29/63/1124842963.db2.gz LVSCTLXWQWUTCL-UHFFFAOYSA-N 0 3 298.361 3.890 20 30 CHEDHN C=C(CC)CNCc1cnc(-c2ccsc2)s1 ZINC000449733742 1124852689 /nfs/dbraw/zinc/85/26/89/1124852689.db2.gz QBFPGVREUPPLFH-UHFFFAOYSA-N 0 3 264.419 3.927 20 30 CHEDHN C=C(CC)CNCc1cccc(Br)c1OC ZINC000449733420 1124853313 /nfs/dbraw/zinc/85/33/13/1124853313.db2.gz HWKHKJCVKJBROO-UHFFFAOYSA-N 0 3 284.197 3.514 20 30 CHEDHN C[C@H](CCNCc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876997813 1124996746 /nfs/dbraw/zinc/99/67/46/1124996746.db2.gz IEDRRSLXTJZZPQ-CYBMUJFWSA-N 0 3 299.805 3.890 20 30 CHEDHN CCC(CC)(CNCc1cc(C#N)cnc1Cl)SC ZINC000877072185 1125005186 /nfs/dbraw/zinc/00/51/86/1125005186.db2.gz IEJLFAHAARJIFR-UHFFFAOYSA-N 0 3 297.855 3.618 20 30 CHEDHN N#Cc1cnc(Cl)c(CN[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000877495308 1125034545 /nfs/dbraw/zinc/03/45/45/1125034545.db2.gz BLKNSRPVGPKILT-KOMQPUFPSA-N 0 3 297.789 3.642 20 30 CHEDHN C=CCCC(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877674573 1125062991 /nfs/dbraw/zinc/06/29/91/1125062991.db2.gz RZHSEEMZOASONT-UHFFFAOYSA-N 0 3 277.799 3.689 20 30 CHEDHN C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1[O-] ZINC000877756550 1125072074 /nfs/dbraw/zinc/07/20/74/1125072074.db2.gz QXJMYXKETRJYAE-UONOGXRCSA-N 0 3 296.370 3.534 20 30 CHEDHN C[C@H](NC[C@H]1CCCC1(F)F)c1ccc(C#N)cc1F ZINC000450718504 1125088158 /nfs/dbraw/zinc/08/81/58/1125088158.db2.gz NXWOTJPVQZGAPO-CMPLNLGQSA-N 0 3 282.309 3.783 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@H]2c2ccc(F)cc2)CCC1 ZINC000450737797 1125096055 /nfs/dbraw/zinc/09/60/55/1125096055.db2.gz KTVGNRWIZXELOI-JKSUJKDBSA-N 0 3 272.367 3.745 20 30 CHEDHN CC[C@@H]1CCCCN1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877934066 1125104526 /nfs/dbraw/zinc/10/45/26/1125104526.db2.gz AMLSUHQNQBPRPR-RTBURBONSA-N 0 3 298.430 3.692 20 30 CHEDHN CCC1CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000877976202 1125109301 /nfs/dbraw/zinc/10/93/01/1125109301.db2.gz UCQRZOXLWCCWEL-LJQANCHMSA-N 0 3 298.430 3.549 20 30 CHEDHN N#CC1CCN(C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878016449 1125113900 /nfs/dbraw/zinc/11/39/00/1125113900.db2.gz MQBMRDKUZVRZKO-QZTJIDSGSA-N 0 3 284.403 3.532 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127482341 1125195352 /nfs/dbraw/zinc/19/53/52/1125195352.db2.gz ZDJOZFDCSPNHRK-KBXCAEBGSA-N 0 3 295.386 3.643 20 30 CHEDHN Cc1cncc([C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)c1 ZINC000879752325 1125231252 /nfs/dbraw/zinc/23/12/52/1125231252.db2.gz RPPBYCVNYKGQIX-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN C=CCCC[C@H](NCc1cnn(C)c1C)c1ccccc1 ZINC000880390314 1125272304 /nfs/dbraw/zinc/27/23/04/1125272304.db2.gz XYKZPTAJSKKNQJ-SFHVURJKSA-N 0 3 283.419 3.916 20 30 CHEDHN C=CCCN[C@H](C)c1ccc(F)cc1Br ZINC000235186309 1125280188 /nfs/dbraw/zinc/28/01/88/1125280188.db2.gz CBUPYBXCHVQNSQ-SECBINFHSA-N 0 3 272.161 3.815 20 30 CHEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1F ZINC000050545285 1125313830 /nfs/dbraw/zinc/31/38/30/1125313830.db2.gz SWLDHHDFQVFPSF-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN Cn1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)cc1C#N ZINC000191264604 1125353492 /nfs/dbraw/zinc/35/34/92/1125353492.db2.gz ZXDDIIFOWIMKJN-LJQANCHMSA-N 0 3 291.398 3.549 20 30 CHEDHN CC(C)(C#N)CN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000168931144 1125355513 /nfs/dbraw/zinc/35/55/13/1125355513.db2.gz NENMSPDKJXZCTA-HZPDHXFCSA-N 0 3 256.393 3.852 20 30 CHEDHN Cc1cc([C@H](C)NCc2cccc(C#N)c2)ccc1F ZINC000610583456 1125357132 /nfs/dbraw/zinc/35/71/32/1125357132.db2.gz NAQCRRTZQJLFGY-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN COc1ccc(C2CC2)cc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000883265895 1125388450 /nfs/dbraw/zinc/38/84/50/1125388450.db2.gz NMHYBZDDAHGBBM-CXAGYDPISA-N 0 3 284.403 3.745 20 30 CHEDHN CC(C)Oc1cc(Cl)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000883267688 1125389573 /nfs/dbraw/zinc/38/95/73/1125389573.db2.gz NELVJWSXPVJQJS-WFASDCNBSA-N 0 3 292.810 3.909 20 30 CHEDHN C=CCC[C@H](CCC)NC1(c2ncccn2)CCC1 ZINC000883314006 1125394623 /nfs/dbraw/zinc/39/46/23/1125394623.db2.gz SLNQXBLXEQQCDS-AWEZNQCLSA-N 0 3 259.397 3.580 20 30 CHEDHN C=CCCC[C@@H](NCc1ccncc1N)c1ccccc1 ZINC000883324946 1125397064 /nfs/dbraw/zinc/39/70/64/1125397064.db2.gz JRXDXRIBFXIWPG-GOSISDBHSA-N 0 3 281.403 3.851 20 30 CHEDHN N#Cc1ccc(CNCc2ccc(F)c(Cl)c2)cc1 ZINC000053155507 1125399295 /nfs/dbraw/zinc/39/92/95/1125399295.db2.gz RBACMZBWQHIWOK-UHFFFAOYSA-N 0 3 274.726 3.641 20 30 CHEDHN C=CCC(C)(C)C[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC001202554533 1125420680 /nfs/dbraw/zinc/42/06/80/1125420680.db2.gz IGWBRXJZRPFLDG-UHFFFAOYSA-N 0 3 253.773 3.738 20 30 CHEDHN C=CCCCCCC[C@H](O)CNCc1cncc(Cl)c1 ZINC001253255663 1125430248 /nfs/dbraw/zinc/43/02/48/1125430248.db2.gz KVSBXWWKVWBRHD-INIZCTEOSA-N 0 3 296.842 3.712 20 30 CHEDHN C=CC[C@H](CO)NCc1ccc(-c2ccccc2Cl)o1 ZINC000184263617 1129180399 /nfs/dbraw/zinc/18/03/99/1129180399.db2.gz MVXHNIUULPUMQL-GFCCVEGCSA-N 0 3 291.778 3.627 20 30 CHEDHN C=CCN(CCc1csc(C)n1)Cc1ccccc1 ZINC000163499834 1129202614 /nfs/dbraw/zinc/20/26/14/1129202614.db2.gz JDIJGJRPQQEUBW-UHFFFAOYSA-N 0 3 272.417 3.682 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)c1ccccc1C)c1ccco1 ZINC000796762403 1129274017 /nfs/dbraw/zinc/27/40/17/1129274017.db2.gz UXJYEZNNRJWSKO-SJORKVTESA-N 0 3 285.387 3.919 20 30 CHEDHN C=CC[C@@H](NCc1cccc2cc[nH]c21)c1ccncc1 ZINC000734508674 1129310862 /nfs/dbraw/zinc/31/08/62/1129310862.db2.gz BLLCLOXZORHAAV-QGZVFWFLSA-N 0 3 277.371 3.970 20 30 CHEDHN C=CC[C@H](NCC1=Cc2ccccc2OC1)c1ccncc1 ZINC000734510809 1129311756 /nfs/dbraw/zinc/31/17/56/1129311756.db2.gz ZPEVBULKOOKXPE-SFHVURJKSA-N 0 3 292.382 3.764 20 30 CHEDHN C=CCN(Cc1cc(Br)cs1)C(C)C ZINC000735079027 1129331236 /nfs/dbraw/zinc/33/12/36/1129331236.db2.gz ZHVRZKVHWUTDJT-UHFFFAOYSA-N 0 3 274.227 3.907 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CC=CCC2)c([O-])c1 ZINC000735978852 1129361363 /nfs/dbraw/zinc/36/13/63/1129361363.db2.gz MYKJPDBSDVGFAK-VUODPORTSA-N 0 3 272.392 3.766 20 30 CHEDHN CCN(Cc1ccoc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000092935919 1129412456 /nfs/dbraw/zinc/41/24/56/1129412456.db2.gz MFWOJSFBIJORHN-UHFFFAOYSA-N 0 3 297.402 3.652 20 30 CHEDHN CCCCCCCN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000766271628 1129444102 /nfs/dbraw/zinc/44/41/02/1129444102.db2.gz WBDBMOHFASENJS-AWEZNQCLSA-N 0 3 276.415 3.618 20 30 CHEDHN C#CCN(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000741805769 1129454914 /nfs/dbraw/zinc/45/49/14/1129454914.db2.gz UYIAPIGCJJOWHS-OAHLLOKOSA-N 0 3 279.383 3.988 20 30 CHEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N([C@@H](C)CC)C2 ZINC001276346381 1129541455 /nfs/dbraw/zinc/54/14/55/1129541455.db2.gz TXOZIOJVUNIOEI-WMZOPIPTSA-N 0 3 292.467 3.598 20 30 CHEDHN C=CC[C@H](C)NCc1ccsc1Br ZINC000388619401 1129655946 /nfs/dbraw/zinc/65/59/46/1129655946.db2.gz DYPJPVRWRVYCOA-QMMMGPOBSA-N 0 3 260.200 3.565 20 30 CHEDHN COCC#CCN1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168918154 1129683665 /nfs/dbraw/zinc/68/36/65/1129683665.db2.gz GJVZSSCYHZYBMZ-GOSISDBHSA-N 0 3 271.404 3.597 20 30 CHEDHN CC(C)[Si](C#Cn1ccc([C@H](C)N)n1)(C(C)C)C(C)C ZINC001169231746 1129710449 /nfs/dbraw/zinc/71/04/49/1129710449.db2.gz RKZZJHBXMLKORZ-HNNXBMFYSA-N 0 3 291.515 3.930 20 30 CHEDHN C=C(C)[C@@H](NCCc1ccccn1)c1ccc(F)c(F)c1 ZINC001169474649 1129729972 /nfs/dbraw/zinc/72/99/72/1129729972.db2.gz UOHIUPUXYGGPRW-QGZVFWFLSA-N 0 3 288.341 3.809 20 30 CHEDHN C=CCN(CC=C)Cc1sc2nc(C)nc(C)c2c1C ZINC000768138429 1129834529 /nfs/dbraw/zinc/83/45/29/1129834529.db2.gz UWPLRVPANBYLLC-UHFFFAOYSA-N 0 3 287.432 3.791 20 30 CHEDHN C#CCOc1ccc(CN(Cc2cccs2)C2CC2)cc1 ZINC000768252724 1129846235 /nfs/dbraw/zinc/84/62/35/1129846235.db2.gz NKXGAWRRRMNZOU-UHFFFAOYSA-N 0 3 297.423 3.925 20 30 CHEDHN C=C1CCC(CN[C@H](C)c2csc(C)n2)CC1 ZINC000724487721 1129852737 /nfs/dbraw/zinc/85/27/37/1129852737.db2.gz FSFIURHRPPTRAI-LLVKDONJSA-N 0 3 250.411 3.849 20 30 CHEDHN C=CCN(Cc1ccccc1OCC1CC1)C(C)C ZINC000768547949 1129864042 /nfs/dbraw/zinc/86/40/42/1129864042.db2.gz UOZXTDPZFKGJOY-UHFFFAOYSA-N 0 3 259.393 3.872 20 30 CHEDHN CCCCCCCCN[C@@H](C)c1cc(C)n(C)n1 ZINC000800480584 1129877797 /nfs/dbraw/zinc/87/77/97/1129877797.db2.gz VWGYYHVQVKLBQJ-AWEZNQCLSA-N 0 3 251.418 3.740 20 30 CHEDHN C=CCC[C@@H]1CCCN1Cc1ccc(C)c(Cl)n1 ZINC001460886189 1129885616 /nfs/dbraw/zinc/88/56/16/1129885616.db2.gz JUJOLRUSVUUJEM-CQSZACIVSA-N 0 3 264.800 3.974 20 30 CHEDHN CCc1ccc([C@@H]2C[C@H](C)CCN2CCO[C@@H](C)C#N)o1 ZINC000801925425 1129959888 /nfs/dbraw/zinc/95/98/88/1129959888.db2.gz LXYCPECQFVZJEB-YCPHGPKFSA-N 0 3 290.407 3.544 20 30 CHEDHN CC(C)[C@@H](NCCO[C@@H](C)C#N)c1ccc(Cl)cc1F ZINC000801939017 1129962296 /nfs/dbraw/zinc/96/22/96/1129962296.db2.gz OPICSSRNPYWILW-XHDPSFHLSA-N 0 3 298.789 3.694 20 30 CHEDHN C=CCN(Cc1cc(=O)oc2c(C)c(C)ccc12)C1CC1 ZINC000772382590 1130020751 /nfs/dbraw/zinc/02/07/51/1130020751.db2.gz SQVCNNXYGDMQCY-UHFFFAOYSA-N 0 3 283.371 3.560 20 30 CHEDHN Cc1cscc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000785521200 1130038522 /nfs/dbraw/zinc/03/85/22/1130038522.db2.gz HMZXVEJTQIVONU-UHFFFAOYSA-N 0 3 299.443 3.696 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)cc1)c1cccc(C#N)c1 ZINC000902720242 1130043428 /nfs/dbraw/zinc/04/34/28/1130043428.db2.gz CXEVVWLOUAYVJB-GOSISDBHSA-N 0 3 280.371 3.808 20 30 CHEDHN C=CCSCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902855409 1130070451 /nfs/dbraw/zinc/07/04/51/1130070451.db2.gz ZAPGGAVCAGJGAF-JTQLQIEISA-N 0 3 290.354 3.670 20 30 CHEDHN CC[C@@H](N[C@@H](COC)c1ccccc1)c1cccc(C#N)c1 ZINC000902867294 1130074624 /nfs/dbraw/zinc/07/46/24/1130074624.db2.gz ZHKQPZPWPLBDMO-MOPGFXCFSA-N 0 3 294.398 3.987 20 30 CHEDHN CC[C@@H](NCC1(C#N)CCCC1)c1ccc(C)cc1O ZINC000903108695 1130114450 /nfs/dbraw/zinc/11/44/50/1130114450.db2.gz FXLKELCOUAAYQW-OAHLLOKOSA-N 0 3 272.392 3.825 20 30 CHEDHN C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1[O-] ZINC000787034127 1130126579 /nfs/dbraw/zinc/12/65/79/1130126579.db2.gz RVUUBKWQHQAFKI-GTNSWQLSSA-N 0 3 296.345 3.741 20 30 CHEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cc(F)ccc1OC ZINC000903371434 1130168286 /nfs/dbraw/zinc/16/82/86/1130168286.db2.gz SMRZNWUFHVOKGC-BJJXKVORSA-N 0 3 290.382 3.957 20 30 CHEDHN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1 ZINC000903428223 1130176008 /nfs/dbraw/zinc/17/60/08/1130176008.db2.gz NNPXAJROWOKJBR-FZKQIMNGSA-N 0 3 277.371 3.755 20 30 CHEDHN C=CCC[C@@H](NCCOC1CCSCC1)c1ccco1 ZINC000903446146 1130177800 /nfs/dbraw/zinc/17/78/00/1130177800.db2.gz MQMYYFYQQSOXEU-OAHLLOKOSA-N 0 3 295.448 3.789 20 30 CHEDHN [O-]/N=C/c1ccc(F)c(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001240060912 1130206921 /nfs/dbraw/zinc/20/69/21/1130206921.db2.gz ZXLPJKBSTJDDGL-UDWIEESQSA-N 0 3 298.361 3.897 20 30 CHEDHN CC1(C)Nc2ccccc2[C@@H]1NCc1cccc(C#N)c1 ZINC000903947700 1130211143 /nfs/dbraw/zinc/21/11/43/1130211143.db2.gz FOEAZXHTBARMER-KRWDZBQOSA-N 0 3 277.371 3.593 20 30 CHEDHN CCC#C[C@H](C)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000677480512 1130313200 /nfs/dbraw/zinc/31/32/00/1130313200.db2.gz YOMGFXOELRGQKS-GJZGRUSLSA-N 0 3 282.387 3.809 20 30 CHEDHN N#CC(C(=O)CC1CCCC1)c1nccc2ccccc21 ZINC000792094095 1130431544 /nfs/dbraw/zinc/43/15/44/1130431544.db2.gz CKNHOKSSXOERHJ-INIZCTEOSA-N 0 3 278.355 3.991 20 30 CHEDHN C=CCN(Cc1cn(C)nc1CC)CC1CCCCC1 ZINC000678830423 1130462598 /nfs/dbraw/zinc/46/25/98/1130462598.db2.gz VMEGIQXGLZWCKX-UHFFFAOYSA-N 0 3 275.440 3.551 20 30 CHEDHN C[C@@H](Cc1ccccc1Cl)NCc1cc(C#N)co1 ZINC001170264377 1130469356 /nfs/dbraw/zinc/46/93/56/1130469356.db2.gz YJDVETIVCZIQLM-NSHDSACASA-N 0 3 274.751 3.525 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000679360284 1130522621 /nfs/dbraw/zinc/52/26/21/1130522621.db2.gz OPRHMVMZRDKQFY-CQSZACIVSA-N 0 3 277.408 3.880 20 30 CHEDHN CC[C@H](CC#N)N(CC)[C@H](C)Cc1ccc(OC)cc1 ZINC001255165203 1130532608 /nfs/dbraw/zinc/53/26/08/1130532608.db2.gz VUKCRMJRVZTRJM-GDBMZVCRSA-N 0 3 274.408 3.640 20 30 CHEDHN C#C[C@H](N[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(Cl)cc1 ZINC000811517216 1130615048 /nfs/dbraw/zinc/61/50/48/1130615048.db2.gz LIHBZIKKLJSOMZ-IXDOHACOSA-N 0 3 291.822 3.808 20 30 CHEDHN C#C[C@H](NCc1cscc1C(F)(F)F)C(C)C ZINC000811505948 1130617877 /nfs/dbraw/zinc/61/78/77/1130617877.db2.gz USFQPUBXYLRYJW-NSHDSACASA-N 0 3 261.312 3.514 20 30 CHEDHN C[NH+](C)CC1(C/N=C/c2cc(Cl)ccc2[O-])CCCC1 ZINC000758816058 1130626866 /nfs/dbraw/zinc/62/68/66/1130626866.db2.gz QLTLHVQYDAFCJS-VCHYOVAHSA-N 0 3 294.826 3.587 20 30 CHEDHN C=C(C)CN(CC)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759114186 1130637292 /nfs/dbraw/zinc/63/72/92/1130637292.db2.gz RVBBNTPKQXGCJF-CQSZACIVSA-N 0 3 288.218 3.925 20 30 CHEDHN C#C[C@H](N[C@@H](C)Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000812793180 1130717189 /nfs/dbraw/zinc/71/71/89/1130717189.db2.gz NSOOGZYIQJYRCZ-LIRRHRJNSA-N 0 3 297.373 3.729 20 30 CHEDHN C#C[C@@H](N[C@H](C)CCc1ccco1)c1ccc(F)cc1 ZINC000812793355 1130717737 /nfs/dbraw/zinc/71/77/37/1130717737.db2.gz UKABILRJXYKFDZ-CXAGYDPISA-N 0 3 271.335 3.704 20 30 CHEDHN CCCCCCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001170689948 1130723851 /nfs/dbraw/zinc/72/38/51/1130723851.db2.gz CYQRSUCUHKJACQ-MSOLQXFVSA-N 0 3 293.426 3.757 20 30 CHEDHN COc1ccccc1[C@@H](C)N(C)Cc1ccccc1CC#N ZINC001235528078 1130752232 /nfs/dbraw/zinc/75/22/32/1130752232.db2.gz MBJRDCHRPASESK-OAHLLOKOSA-N 0 3 294.398 3.954 20 30 CHEDHN CCCCCCCN(C)Cc1n[nH]c2cc(N)ccc21 ZINC001235663841 1130762085 /nfs/dbraw/zinc/76/20/85/1130762085.db2.gz WDWXJDCBZLDEKD-UHFFFAOYSA-N 0 3 274.412 3.547 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc(NC)cc1 ZINC001235963129 1130819585 /nfs/dbraw/zinc/81/95/85/1130819585.db2.gz UTPAJUHCQAFOQU-UHFFFAOYSA-N 0 3 266.388 3.917 20 30 CHEDHN C=C(C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000783504773 1130831098 /nfs/dbraw/zinc/83/10/98/1130831098.db2.gz KRRRSSSINVZXPM-AWEZNQCLSA-N 0 3 253.345 3.756 20 30 CHEDHN C#CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000783525191 1130834172 /nfs/dbraw/zinc/83/41/72/1130834172.db2.gz LOTQICUBKWIELG-RHSMWYFYSA-N 0 3 265.356 3.807 20 30 CHEDHN N#CCCC[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000814304560 1130863042 /nfs/dbraw/zinc/86/30/42/1130863042.db2.gz NVRYJDGGXDAXDP-KRWDZBQOSA-N 0 3 280.371 3.917 20 30 CHEDHN C=CCC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000796776075 1130930839 /nfs/dbraw/zinc/93/08/39/1130930839.db2.gz SXQHXBNTGIMFEY-NSHDSACASA-N 0 3 268.316 3.606 20 30 CHEDHN CC(C)(C)CCNN=C1CC[C@H]2CNc3cccc1c32 ZINC000814901274 1130932282 /nfs/dbraw/zinc/93/22/82/1130932282.db2.gz GTXPHVFRGZPURW-LBPRGKRZSA-N 0 3 271.408 3.719 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC000815080249 1130957594 /nfs/dbraw/zinc/95/75/94/1130957594.db2.gz MXRUKTQKJZESBW-IUODEOHRSA-N 0 3 287.794 3.516 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2ccc(F)cc2C)cc1C#N ZINC000815596926 1131005997 /nfs/dbraw/zinc/00/59/97/1131005997.db2.gz IGVRLTYATQPXJX-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN COc1cc(CN[C@H](C)c2ccc(F)cc2C)ccc1C#N ZINC000815628334 1131011557 /nfs/dbraw/zinc/01/15/57/1131011557.db2.gz XVYPKICKIIFMFY-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN COc1cc(CN[C@@H](C)c2ccc(F)cc2C)ccc1C#N ZINC000815628335 1131012266 /nfs/dbraw/zinc/01/22/66/1131012266.db2.gz XVYPKICKIIFMFY-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN N#CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834621 1131018716 /nfs/dbraw/zinc/01/87/16/1131018716.db2.gz AOMWOYODPIGWHZ-AWEZNQCLSA-N 0 3 280.371 3.671 20 30 CHEDHN N#CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834621 1131018722 /nfs/dbraw/zinc/01/87/22/1131018722.db2.gz AOMWOYODPIGWHZ-AWEZNQCLSA-N 0 3 280.371 3.671 20 30 CHEDHN C[C@H](NN=Cc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000748032859 1131026870 /nfs/dbraw/zinc/02/68/70/1131026870.db2.gz CPCWXKLUDPPKNX-HNNXBMFYSA-N 0 3 293.414 3.754 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC2CCC1CC2)c1nc2ccccc2[nH]1 ZINC000815897762 1131031281 /nfs/dbraw/zinc/03/12/81/1131031281.db2.gz GQKIZBOIIBZQGT-NWINJMCUSA-N 0 3 293.370 3.565 20 30 CHEDHN CCc1cccc(C)c1CN1CCc2cc(C#N)ccc2C1 ZINC001237323537 1131083287 /nfs/dbraw/zinc/08/32/87/1131083287.db2.gz IOLINNJIFNZAGX-UHFFFAOYSA-N 0 3 290.410 3.987 20 30 CHEDHN N#Cc1cc(CN2CCC[C@@H](c3ccccc3)CC2)ccn1 ZINC001237462275 1131100688 /nfs/dbraw/zinc/10/06/88/1131100688.db2.gz GAKGAJZGPXUSFP-GOSISDBHSA-N 0 3 291.398 3.723 20 30 CHEDHN C=CC[C@H](N[C@H](C)c1cccc(O)c1)c1ccncc1 ZINC000799718493 1131103373 /nfs/dbraw/zinc/10/33/73/1131103373.db2.gz CVJKNPQLDGKYIW-DYVFJYSZSA-N 0 3 268.360 3.755 20 30 CHEDHN C=CC[C@@H](N[C@H](C)c1cccc(O)c1)c1ccncc1 ZINC000799718492 1131103883 /nfs/dbraw/zinc/10/38/83/1131103883.db2.gz CVJKNPQLDGKYIW-CXAGYDPISA-N 0 3 268.360 3.755 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(F)c(C)n1 ZINC001237817365 1131144558 /nfs/dbraw/zinc/14/45/58/1131144558.db2.gz PGUCLZUPQMADQK-UHFFFAOYSA-N 0 3 252.377 3.931 20 30 CHEDHN CC(C)C1=NCCc2ccc(CN3CCCC[C@@H]3C#N)cc21 ZINC001237885094 1131148241 /nfs/dbraw/zinc/14/82/41/1131148241.db2.gz FOAUAELNEWAMPL-QGZVFWFLSA-N 0 3 295.430 3.566 20 30 CHEDHN C#C[C@H](C)NCc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000817409310 1131158992 /nfs/dbraw/zinc/15/89/92/1131158992.db2.gz IHHDOFCPWRFBGB-HNNXBMFYSA-N 0 3 293.414 3.777 20 30 CHEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001116642911 1131159207 /nfs/dbraw/zinc/15/92/07/1131159207.db2.gz DNDNDOVLAHYLJZ-ONGXEEELSA-N 0 3 274.191 3.845 20 30 CHEDHN CCCCCCCC[C@@H](C)CC(=O)N[C@@H]1CCCN(C)C1 ZINC001136709800 1131423817 /nfs/dbraw/zinc/42/38/17/1131423817.db2.gz YJJAWRUPXJBICH-IAGOWNOFSA-N 0 3 296.499 3.974 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(OC)c(Cl)c2)c1 ZINC001202812063 1131427603 /nfs/dbraw/zinc/42/76/03/1131427603.db2.gz JJUFJJCWGWJBSU-UHFFFAOYSA-N 0 3 285.774 3.620 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000829773265 1131432770 /nfs/dbraw/zinc/43/27/70/1131432770.db2.gz BOHNHNXECQXGBJ-CYBMUJFWSA-N 0 3 270.401 3.532 20 30 CHEDHN Cc1ncsc1-c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000824646033 1131477474 /nfs/dbraw/zinc/47/74/74/1131477474.db2.gz VJVCOBFQYUQFEW-UHFFFAOYSA-N 0 3 297.427 3.854 20 30 CHEDHN Cc1csc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000824751274 1131484268 /nfs/dbraw/zinc/48/42/68/1131484268.db2.gz SZOJJGCEWPSWPH-CYBMUJFWSA-N 0 3 286.400 3.637 20 30 CHEDHN C#CCOc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cc1 ZINC001138556438 1131521175 /nfs/dbraw/zinc/52/11/75/1131521175.db2.gz VTVMJIJJOADAMK-INIZCTEOSA-N 0 3 291.394 3.818 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1[O-] ZINC001138629122 1131529194 /nfs/dbraw/zinc/52/91/94/1131529194.db2.gz OWORPLKHAFFNRT-SFHVURJKSA-N 0 3 294.398 3.853 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1[O-] ZINC001138629122 1131529196 /nfs/dbraw/zinc/52/91/96/1131529196.db2.gz OWORPLKHAFFNRT-SFHVURJKSA-N 0 3 294.398 3.853 20 30 CHEDHN C=CCN(Cc1cnn(Cc2ccccc2)c1)C(C)(C)C ZINC001138766957 1131546855 /nfs/dbraw/zinc/54/68/55/1131546855.db2.gz DEJVGLVSKCHACU-UHFFFAOYSA-N 0 3 283.419 3.718 20 30 CHEDHN C=CCN(Cc1c2cc[nH]c2ncc1Cl)C(C)(C)C ZINC001138953413 1131564094 /nfs/dbraw/zinc/56/40/94/1131564094.db2.gz WALCCGVDNJWQOD-UHFFFAOYSA-N 0 3 277.799 3.954 20 30 CHEDHN Cc1cccc(OCCCNCc2ccc(C#N)cc2F)c1 ZINC000772905077 1131571739 /nfs/dbraw/zinc/57/17/39/1131571739.db2.gz UDWIEKJCFOSJQJ-UHFFFAOYSA-N 0 3 298.361 3.565 20 30 CHEDHN CCCCCCCCN(C)Cc1cncc(C#N)c1 ZINC001144079865 1131582004 /nfs/dbraw/zinc/58/20/04/1131582004.db2.gz MGLJFTZBXCSSHB-UHFFFAOYSA-N 0 3 259.397 3.746 20 30 CHEDHN Cc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cc1C#N ZINC001139722807 1131632320 /nfs/dbraw/zinc/63/23/20/1131632320.db2.gz HAUXSUIMHPCDDU-HNNXBMFYSA-N 0 3 276.383 3.986 20 30 CHEDHN CN(Cc1cc(F)cc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001139879003 1131645520 /nfs/dbraw/zinc/64/55/20/1131645520.db2.gz DOPDNUCRDVJXPJ-GOSISDBHSA-N 0 3 280.346 3.817 20 30 CHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cncc2ccccc21 ZINC001139894920 1131649293 /nfs/dbraw/zinc/64/92/93/1131649293.db2.gz KFRRTMJKXHOSRA-FFGGFLGDSA-N 0 3 277.371 3.501 20 30 CHEDHN C#Cc1ccc(CN2Cc3ccccc3C[C@H]2C)cc1 ZINC001144578960 1131660761 /nfs/dbraw/zinc/66/07/61/1131660761.db2.gz UIQNAMHFBBODNL-OAHLLOKOSA-N 0 3 261.368 3.615 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CC4(C3)CCCCC4)c2c1 ZINC001140115683 1131665335 /nfs/dbraw/zinc/66/53/35/1131665335.db2.gz IZGDQZCWMMRMJH-UHFFFAOYSA-N 0 3 279.387 3.806 20 30 CHEDHN C=CCN(Cc1ccc(O)cc1F)C1CCCCC1 ZINC001140129843 1131666676 /nfs/dbraw/zinc/66/66/76/1131666676.db2.gz PJFDBIBCCBRJDC-UHFFFAOYSA-N 0 3 263.356 3.852 20 30 CHEDHN C=CC[C@H]1CC[C@H](NCc2cc(F)cnc2Cl)C1 ZINC000845978282 1131674848 /nfs/dbraw/zinc/67/48/48/1131674848.db2.gz JRUIUJSLTLUBJY-GWCFXTLKSA-N 0 3 268.763 3.709 20 30 CHEDHN C=CC[C@@H](C)N[C@H](C)c1nc(Br)cs1 ZINC000834654606 1131690999 /nfs/dbraw/zinc/69/09/99/1131690999.db2.gz PZKXPKZEEFLJKO-HTQZYQBOSA-N 0 3 275.215 3.521 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2scnc2c1 ZINC001144736775 1131698311 /nfs/dbraw/zinc/69/83/11/1131698311.db2.gz AWLZNZCYBHQHEV-UHFFFAOYSA-N 0 3 293.395 3.800 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)N(CCC#N)C1CCCC1 ZINC001171221286 1131706222 /nfs/dbraw/zinc/70/62/22/1131706222.db2.gz KAJDFOKMYFAFCY-OAHLLOKOSA-N 0 3 281.403 3.648 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCOC2(CCCCC2)C1 ZINC001171228736 1131711391 /nfs/dbraw/zinc/71/13/91/1131711391.db2.gz ILTLYOTUNDCBED-INIZCTEOSA-N 0 3 298.430 3.524 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCCc3nc(C)sc32)c1 ZINC000834902437 1131725778 /nfs/dbraw/zinc/72/57/78/1131725778.db2.gz IBDPPRVKYCEPHS-HNNXBMFYSA-N 0 3 282.412 3.600 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCCOc3ccc(C)cc32)c1 ZINC000834903000 1131726648 /nfs/dbraw/zinc/72/66/48/1131726648.db2.gz NFYSOWDXCAKEOL-LJQANCHMSA-N 0 3 291.394 3.980 20 30 CHEDHN C#Cc1cccc(CN[C@@H](c2cccnc2)C2CCC2)c1 ZINC000834903744 1131726797 /nfs/dbraw/zinc/72/67/97/1131726797.db2.gz QQAAHCWPIUIZRP-LJQANCHMSA-N 0 3 276.383 3.694 20 30 CHEDHN C#Cc1cccc(CN[C@@H](CC)c2ccsc2)c1 ZINC000834904148 1131727177 /nfs/dbraw/zinc/72/71/77/1131727177.db2.gz VQDAPJWEURMPFL-INIZCTEOSA-N 0 3 255.386 3.970 20 30 CHEDHN C[C@@H]1CCC[C@]1(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000835076430 1131768532 /nfs/dbraw/zinc/76/85/32/1131768532.db2.gz IYHPMZIQJYVFKC-PEBVRCNWSA-N 0 3 282.343 3.830 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(Cl)c3cccnc23)C1 ZINC000847021863 1131772593 /nfs/dbraw/zinc/77/25/93/1131772593.db2.gz CADCNNFOHBLRPO-ZDUSSCGKSA-N 0 3 284.790 3.733 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000772959778 1131777231 /nfs/dbraw/zinc/77/72/31/1131777231.db2.gz NMFZOFDPHBKHHN-LSDHHAIUSA-N 0 3 295.386 3.704 20 30 CHEDHN C=C1CCN(Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000282778631 1131898074 /nfs/dbraw/zinc/89/80/74/1131898074.db2.gz KLHOWHFDYDHLSV-UHFFFAOYSA-N 0 3 281.403 3.548 20 30 CHEDHN N#Cc1cccc(CN2CC[C@H]3CCC[C@@H]3C2)c1Cl ZINC001140810684 1131933047 /nfs/dbraw/zinc/93/30/47/1131933047.db2.gz CEABWWXMAQJCRP-TZMCWYRMSA-N 0 3 274.795 3.834 20 30 CHEDHN C=CCN(C)Cc1ccc(OC(F)F)c(OCC2CC2)c1 ZINC001140905040 1131961221 /nfs/dbraw/zinc/96/12/21/1131961221.db2.gz SFERJZQJICXXCF-UHFFFAOYSA-N 0 3 297.345 3.695 20 30 CHEDHN C=C(C)C[C@@H](Oc1ccc2c(c1)CCN(C)C2)C(=C)C ZINC001228945289 1131983059 /nfs/dbraw/zinc/98/30/59/1131983059.db2.gz SXUKCWFFWNZHPQ-GOSISDBHSA-N 0 3 271.404 3.964 20 30 CHEDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(C#N)cc1 ZINC000036991930 1131986012 /nfs/dbraw/zinc/98/60/12/1131986012.db2.gz SQUYPRBQLXODON-CHWSQXEVSA-N 0 3 266.344 3.676 20 30 CHEDHN CCCCCCCCCCN(C)Cc1cn[nH]c1 ZINC001203100632 1132034626 /nfs/dbraw/zinc/03/46/26/1132034626.db2.gz ADJVXRLHKNJOIC-UHFFFAOYSA-N 0 3 251.418 3.982 20 30 CHEDHN C=CCN(CC=C)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542652 1132046031 /nfs/dbraw/zinc/04/60/31/1132046031.db2.gz VSBANRBBVBDLEP-LBPRGKRZSA-N 0 3 281.321 3.635 20 30 CHEDHN C[C@H]1CN(CC2(CC#N)CC2)CCc2ccc(Cl)cc21 ZINC001171718714 1132084596 /nfs/dbraw/zinc/08/45/96/1132084596.db2.gz JWBYGQICFHMGLA-ZDUSSCGKSA-N 0 3 288.822 3.995 20 30 CHEDHN Clc1ccc(C#CCN2CCC23CCCC3)cc1 ZINC001171765155 1132092133 /nfs/dbraw/zinc/09/21/33/1132092133.db2.gz PTJIEUNQBVOTCX-UHFFFAOYSA-N 0 3 259.780 3.710 20 30 CHEDHN CC[C@H](C)OCC[C@@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001172332891 1132172512 /nfs/dbraw/zinc/17/25/12/1132172512.db2.gz VFTAGTMIZFNZJM-CABCVRRESA-N 0 3 286.419 3.510 20 30 CHEDHN CC[C@@H](C)OCC[C@H](C)N1CCc2cc(C#N)ccc2C1 ZINC001172335479 1132173632 /nfs/dbraw/zinc/17/36/32/1132173632.db2.gz FDLCEWYKYBOBQK-LSDHHAIUSA-N 0 3 286.419 3.510 20 30 CHEDHN CCCCN(CCC#N)[C@H](C)CCO[C@@H](C)CC ZINC001172343773 1132179482 /nfs/dbraw/zinc/17/94/82/1132179482.db2.gz UYCSGALORHZQNY-CABCVRRESA-N 0 3 254.418 3.596 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CC(C3CCCCC3)C2)cc1 ZINC000839136424 1132183162 /nfs/dbraw/zinc/18/31/62/1132183162.db2.gz PLNGRPUMCBHVGD-HNNXBMFYSA-N 0 3 298.430 3.990 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CC(C3CCCCC3)C2)cc1 ZINC000839136426 1132183177 /nfs/dbraw/zinc/18/31/77/1132183177.db2.gz PLNGRPUMCBHVGD-OAHLLOKOSA-N 0 3 298.430 3.990 20 30 CHEDHN CCCCCCC[C@@H](CC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172359386 1132188003 /nfs/dbraw/zinc/18/80/03/1132188003.db2.gz WEEVNLAZTICXTL-ZNMIVQPWSA-N 0 3 286.460 3.635 20 30 CHEDHN CCCCCCC[C@@H](CC)N1CCc2c(cnn2C)C1 ZINC001172362355 1132189626 /nfs/dbraw/zinc/18/96/26/1132189626.db2.gz WPRQFESRGDUELK-MRXNPFEDSA-N 0 3 277.456 3.917 20 30 CHEDHN C[C@H](CCCC#N)NCc1cnc(Cl)cc1Cl ZINC001172488341 1132246086 /nfs/dbraw/zinc/24/60/86/1132246086.db2.gz KQTMVALIHNFVSD-SECBINFHSA-N 0 3 272.179 3.560 20 30 CHEDHN CCCCCCCC[C@@H](CC)N1CC2(C1)CS(=O)C2 ZINC001172504475 1132254011 /nfs/dbraw/zinc/25/40/11/1132254011.db2.gz FMPOWXAJVQTBPJ-OAHLLOKOSA-N 0 3 285.497 3.580 20 30 CHEDHN CCCCCCCC[C@H](CC)N1CC(N2CC(F)C2)C1 ZINC001172505736 1132254789 /nfs/dbraw/zinc/25/47/89/1132254789.db2.gz TXYOYXHKMHZOET-INIZCTEOSA-N 0 3 284.463 3.854 20 30 CHEDHN N=C(N[C@H]1CC[C@@H](c2ccccc2)C1)c1ccc(Cl)cn1 ZINC001172552031 1132263012 /nfs/dbraw/zinc/26/30/12/1132263012.db2.gz VLDUEDGUKWLWNU-HIFRSBDPSA-N 0 3 299.805 3.777 20 30 CHEDHN N#C[C@H]1CCCN([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172552419 1132263110 /nfs/dbraw/zinc/26/31/10/1132263110.db2.gz LIDZTBJUMRFHBY-KBAYOESNSA-N 0 3 268.404 3.948 20 30 CHEDHN C#CC[C@H](NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000840935706 1132309386 /nfs/dbraw/zinc/30/93/86/1132309386.db2.gz AWKOVEGTMIZAGL-FQEVSTJZSA-N 0 3 292.426 3.915 20 30 CHEDHN C=CCOc1cccc(CN2CCC[C@H](C(F)F)C2)c1 ZINC001231625647 1132329940 /nfs/dbraw/zinc/32/99/40/1132329940.db2.gz YTDBLTXHSCBARX-AWEZNQCLSA-N 0 3 281.346 3.729 20 30 CHEDHN C[C@@H](Cc1ccc(F)cc1Cl)NCc1cc(C#N)co1 ZINC001172865484 1132330385 /nfs/dbraw/zinc/33/03/85/1132330385.db2.gz NFDDVGMYMDWOHH-JTQLQIEISA-N 0 3 292.741 3.665 20 30 CHEDHN C#Cc1cccc(CN2CCC[C@@H]2c2ccc(C)nc2)c1 ZINC001231660549 1132340132 /nfs/dbraw/zinc/34/01/32/1132340132.db2.gz HVFTZTBNVIEESF-LJQANCHMSA-N 0 3 276.383 3.708 20 30 CHEDHN CC(C)(C)Oc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001231805751 1132368602 /nfs/dbraw/zinc/36/86/02/1132368602.db2.gz RZKLYHRVZUBURG-OAHLLOKOSA-N 0 3 286.419 3.990 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC001232115304 1132424352 /nfs/dbraw/zinc/42/43/52/1132424352.db2.gz KDTPXDASWWLPLO-NEPJUHHUSA-N 0 3 262.784 3.832 20 30 CHEDHN N#CCC1CCN(Cc2cccn2Cc2ccccc2)CC1 ZINC001232234123 1132441478 /nfs/dbraw/zinc/44/14/78/1132441478.db2.gz SFZSCMWSZPAYRG-UHFFFAOYSA-N 0 3 293.414 3.662 20 30 CHEDHN CCCCCCCC[C@H](CCC)N1CCN(C(N)=O)CC1 ZINC001173310124 1132450470 /nfs/dbraw/zinc/45/04/70/1132450470.db2.gz QINAXGXZMKKFRX-INIZCTEOSA-N 0 3 297.487 3.602 20 30 CHEDHN CCCCCCCC[C@@H](CCC)N1CC2(C1)CS(=O)C2 ZINC001173310479 1132450569 /nfs/dbraw/zinc/45/05/69/1132450569.db2.gz WAPHCOMEMFITER-MRXNPFEDSA-N 0 3 299.524 3.970 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cnc(OC)cc1C ZINC001232352659 1132459630 /nfs/dbraw/zinc/45/96/30/1132459630.db2.gz QJJMTZLGIUMLFZ-UHFFFAOYSA-N 0 3 296.414 3.977 20 30 CHEDHN CCCCCCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000842856420 1132470555 /nfs/dbraw/zinc/47/05/55/1132470555.db2.gz STNCINUGYDFIEV-CQSZACIVSA-N 0 3 263.429 3.840 20 30 CHEDHN C[C@]1(F)CCCCN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911814 1132476523 /nfs/dbraw/zinc/47/65/23/1132476523.db2.gz KSEUOWHWKHWVNM-KRWDZBQOSA-N 0 3 285.366 3.754 20 30 CHEDHN C=CCN(Cc1ccc(Br)[nH]1)C(C)(C)C ZINC001232689649 1132508491 /nfs/dbraw/zinc/50/84/91/1132508491.db2.gz IZMQZABWZMUODW-UHFFFAOYSA-N 0 3 271.202 3.564 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2ncsc2c1 ZINC001232741318 1132514020 /nfs/dbraw/zinc/51/40/20/1132514020.db2.gz OFPOLZAIRFLRAK-UHFFFAOYSA-N 0 3 293.395 3.800 20 30 CHEDHN COc1cccc([C@@H]2CCN(Cc3ccc(C#N)s3)C2)c1 ZINC001232845076 1132528825 /nfs/dbraw/zinc/52/88/25/1132528825.db2.gz MOKCMWMCZAPPIU-CQSZACIVSA-N 0 3 298.411 3.618 20 30 CHEDHN C#C[C@H](NC1CCC(F)(F)CC1)c1ccc(F)cc1 ZINC000843408625 1132529107 /nfs/dbraw/zinc/52/91/07/1132529107.db2.gz FLHATMRGKSGLJQ-AWEZNQCLSA-N 0 3 267.294 3.668 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000843424167 1132532943 /nfs/dbraw/zinc/53/29/43/1132532943.db2.gz PZENMZPDEJDWJA-GFCCVEGCSA-N 0 3 297.320 3.662 20 30 CHEDHN Cc1ccc(CN2CC[C@H](c3ccccc3)C2)c(C#N)c1 ZINC001232961883 1132550430 /nfs/dbraw/zinc/55/04/30/1132550430.db2.gz HZGHDEAFWGCFMS-SFHVURJKSA-N 0 3 276.383 3.856 20 30 CHEDHN C[C@H]1CCCCCN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100214 1132571475 /nfs/dbraw/zinc/57/14/75/1132571475.db2.gz BUALMTHVRVKKOV-ZDUSSCGKSA-N 0 3 289.398 3.528 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cc(F)c(C#N)c(F)c1 ZINC001173930336 1132642365 /nfs/dbraw/zinc/64/23/65/1132642365.db2.gz DAAZFGIHGMZVOL-UHFFFAOYSA-N 0 3 287.313 3.642 20 30 CHEDHN C#Cc1cc(Nc2ccccc2CN(C)C)ccc1F ZINC001173932349 1132646221 /nfs/dbraw/zinc/64/62/21/1132646221.db2.gz SOOOXGVWQGGDDV-UHFFFAOYSA-N 0 3 268.335 3.612 20 30 CHEDHN CC(C)P(CCNc1ncc(C#N)cc1F)C(C)C ZINC001162361910 1133072121 /nfs/dbraw/zinc/07/21/21/1133072121.db2.gz KXIWNRZUZKEXDZ-UHFFFAOYSA-N 0 3 281.315 3.803 20 30 CHEDHN C=CCOc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001204303980 1133432167 /nfs/dbraw/zinc/43/21/67/1133432167.db2.gz WZLLBCTVCYRGTI-OSYLJGHBSA-N 0 3 282.387 3.518 20 30 CHEDHN N#C[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001204415035 1133444190 /nfs/dbraw/zinc/44/41/90/1133444190.db2.gz IGZDWBQJSIZIGZ-LBPRGKRZSA-N 0 3 298.308 3.711 20 30 CHEDHN C=CCN(C/C=C/c1cc(C)c(C)cc1C)CCOC ZINC001205661009 1133600144 /nfs/dbraw/zinc/60/01/44/1133600144.db2.gz REZXTIDCAMKLNW-BQYQJAHWSA-N 0 3 273.420 3.759 20 30 CHEDHN CC(C)(CCNCc1cccc(F)c1C#N)C1CC1 ZINC001206024268 1133643481 /nfs/dbraw/zinc/64/34/81/1133643481.db2.gz ZDFSPTWCIXGEKO-UHFFFAOYSA-N 0 3 260.356 3.613 20 30 CHEDHN C=CCN(Cc1ccnn1C(C)C)C1CCCCC1 ZINC001207174831 1133774440 /nfs/dbraw/zinc/77/44/40/1133774440.db2.gz GSDASNKHXZWIAW-UHFFFAOYSA-N 0 3 261.413 3.785 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(CCCc1ccccc1F)C2 ZINC001207490005 1133808279 /nfs/dbraw/zinc/80/82/79/1133808279.db2.gz JVLDBFMYLIWANT-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN CC(C)c1ccc(C[C@H](C)CN2CC(CC#N)C2)cc1 ZINC001207933413 1133866661 /nfs/dbraw/zinc/86/66/61/1133866661.db2.gz ZLYZOROVVGMHOP-HNNXBMFYSA-N 0 3 270.420 3.834 20 30 CHEDHN C=CCN(CC=C)CCc1ccc(C(F)(F)F)cc1 ZINC001209125709 1133978416 /nfs/dbraw/zinc/97/84/16/1133978416.db2.gz GTZKCMUYAKVOAQ-UHFFFAOYSA-N 0 3 269.310 3.922 20 30 CHEDHN C=CCCCCCCCCN1CCc2cnn(C)c2C1 ZINC001209445112 1134023760 /nfs/dbraw/zinc/02/37/60/1134023760.db2.gz FOBRQTZJCSKGMM-UHFFFAOYSA-N 0 3 275.440 3.695 20 30 CHEDHN C=CCN(Cc1[nH]c(C)c(C(=O)OCC)c1C)C(C)(C)C ZINC001209609075 1134043364 /nfs/dbraw/zinc/04/33/64/1134043364.db2.gz PNBIGVNSAYVVOB-UHFFFAOYSA-N 0 3 292.423 3.595 20 30 CHEDHN COc1ccc2oc(CN3CCC[C@H](C#N)CC3)cc2c1 ZINC001209772188 1134062709 /nfs/dbraw/zinc/06/27/09/1134062709.db2.gz IZOATZAIPOIZBE-ZDUSSCGKSA-N 0 3 284.359 3.567 20 30 CHEDHN C=C(CN1CCCCC1)c1nc(-c2cc(C)cc(C)c2)no1 ZINC001211436339 1134416340 /nfs/dbraw/zinc/41/63/40/1134416340.db2.gz JDAHWZOYOAUPGF-UHFFFAOYSA-N 0 3 297.402 3.853 20 30 CHEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(C)c2C)no1 ZINC001211436102 1134416786 /nfs/dbraw/zinc/41/67/86/1134416786.db2.gz APYCUXAPCONFFR-UHFFFAOYSA-N 0 3 297.402 3.853 20 30 CHEDHN CC(C)(C)c1cc(Nc2ccc(C#N)c(C#N)c2)ccn1 ZINC001213166913 1134432960 /nfs/dbraw/zinc/43/29/60/1134432960.db2.gz ZXDIGUGLWKKHCW-UHFFFAOYSA-N 0 3 276.343 3.866 20 30 CHEDHN C=C[C@@H](O[C@H]1CNCc2ccccc21)c1ccccc1 ZINC001217940135 1135028164 /nfs/dbraw/zinc/02/81/64/1135028164.db2.gz AXJAZQSSGIJHIQ-MSOLQXFVSA-N 0 3 265.356 3.775 20 30 CHEDHN C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cccc3c2CNC3)C1 ZINC001218214264 1135070074 /nfs/dbraw/zinc/07/00/74/1135070074.db2.gz MXRPSIQFQVVUCK-RDTXWAMCSA-N 0 3 269.388 3.970 20 30 CHEDHN C=CC[C@H](Oc1cccc2c1CNC2)c1ccccc1 ZINC001218304500 1135082635 /nfs/dbraw/zinc/08/26/35/1135082635.db2.gz HEMIIUFHWMNWJV-KRWDZBQOSA-N 0 3 265.356 3.986 20 30 CHEDHN CCc1nc(C)c([C@@H](C)NCc2ccc(CC#N)cc2)s1 ZINC000573323440 334927865 /nfs/dbraw/zinc/92/78/65/334927865.db2.gz IIAINCKYVQAFNI-GFCCVEGCSA-N 0 3 299.443 3.931 20 30 CHEDHN Cc1ccc([C@@H](NCCCC#N)c2ccccc2)cc1 ZINC000096980244 185145775 /nfs/dbraw/zinc/14/57/75/185145775.db2.gz QXMJPWXRXMOANS-SFHVURJKSA-N 0 3 264.372 3.978 20 30 CHEDHN COc1cc(C)ccc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000574156747 334996544 /nfs/dbraw/zinc/99/65/44/334996544.db2.gz IDZQTWTZTWADJE-HNNXBMFYSA-N 0 3 294.398 3.921 20 30 CHEDHN CC(C)(CCNC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000574667719 335038369 /nfs/dbraw/zinc/03/83/69/335038369.db2.gz OVWIXFQXOLBOFO-MRXNPFEDSA-N 0 3 298.430 3.701 20 30 CHEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1C(F)(F)F ZINC000576685844 335234632 /nfs/dbraw/zinc/23/46/32/335234632.db2.gz BJWYOJCDAGVKJR-TUAOUCFPSA-N 0 3 274.330 3.589 20 30 CHEDHN C[C@H](CN1CCCCC1)Nc1cccc(C(F)F)c1C#N ZINC000574770599 335046575 /nfs/dbraw/zinc/04/65/75/335046575.db2.gz KARHJAKCSMAKMF-GFCCVEGCSA-N 0 3 293.361 3.782 20 30 CHEDHN N#CCC1(CNCc2cscc2C(F)(F)F)CC1 ZINC000352868802 227369076 /nfs/dbraw/zinc/36/90/76/227369076.db2.gz DXCISYJKQJHRRA-UHFFFAOYSA-N 0 3 274.311 3.550 20 30 CHEDHN CC(C)(C#N)CCCN1CCC[C@@H]1c1cccnc1 ZINC000336803688 262395529 /nfs/dbraw/zinc/39/55/29/262395529.db2.gz ZICXVJCJWJFEBF-OAHLLOKOSA-N 0 3 257.381 3.548 20 30 CHEDHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000335980664 533518799 /nfs/dbraw/zinc/51/87/99/533518799.db2.gz WPSYTEOYTKSUGY-ZYHUDNBSSA-N 0 3 282.309 3.926 20 30 CHEDHN N#Cc1ccccc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000035174412 172027675 /nfs/dbraw/zinc/02/76/75/172027675.db2.gz UYSNYJJDDTUHGI-YOEHRIQHSA-N 0 3 254.377 3.713 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000334937077 225369066 /nfs/dbraw/zinc/36/90/66/225369066.db2.gz SKQXLFURIWHBRG-KRWDZBQOSA-N 0 3 293.395 3.659 20 30 CHEDHN Cc1ccccc1Oc1ccccc1CNC(=O)C(C)C#N ZINC000347105265 226051841 /nfs/dbraw/zinc/05/18/41/226051841.db2.gz BJOZAGWFTBBSBS-AWEZNQCLSA-N 0 3 294.354 3.563 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(O)c1 ZINC000037319316 260087546 /nfs/dbraw/zinc/08/75/46/260087546.db2.gz BARYYDRUGUWIAE-QWHCGFSZSA-N 0 3 266.344 3.676 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2ccc3n[nH]cc3c2)ccc1C#N ZINC000353104661 228060273 /nfs/dbraw/zinc/06/02/73/228060273.db2.gz WVUFLYYCSGQHTN-ZDUSSCGKSA-N 0 3 290.370 3.594 20 30 CHEDHN Cc1ccccc1[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000353125407 228062073 /nfs/dbraw/zinc/06/20/73/228062073.db2.gz BBDOCEHHMSFCQY-OAHLLOKOSA-N 0 3 282.412 3.918 20 30 CHEDHN N#C[C@H]1CC[C@H](NC2(c3ccc(Cl)cc3)CC2)C1 ZINC000336170913 228203080 /nfs/dbraw/zinc/20/30/80/228203080.db2.gz LGJXSUBMXASZDJ-FZMZJTMJSA-N 0 3 260.768 3.611 20 30 CHEDHN Cc1cc(OCc2ccc(CC#N)cc2)c(C)c(C)n1 ZINC000521370379 260088583 /nfs/dbraw/zinc/08/85/83/260088583.db2.gz RNIRNVGYSFHLDF-UHFFFAOYSA-N 0 3 266.344 3.652 20 30 CHEDHN N#Cc1cccc(CNCc2ccccc2C(F)(F)F)c1 ZINC000037501712 260113539 /nfs/dbraw/zinc/11/35/39/260113539.db2.gz SQNMTABKEGADMQ-UHFFFAOYSA-N 0 3 290.288 3.867 20 30 CHEDHN COc1cccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000037508465 260114096 /nfs/dbraw/zinc/11/40/96/260114096.db2.gz YRAZXQKZQBSNBK-ZIAGYGMSSA-N 0 3 280.371 3.979 20 30 CHEDHN COCc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000037762844 260116686 /nfs/dbraw/zinc/11/66/86/260116686.db2.gz BRMWXKXLTDUFIJ-CQSZACIVSA-N 0 3 280.371 3.555 20 30 CHEDHN COCc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000037762646 260117121 /nfs/dbraw/zinc/11/71/21/260117121.db2.gz XGBLSEMAMOMDTF-CQSZACIVSA-N 0 3 280.371 3.555 20 30 CHEDHN N#CCCCCNCc1cc(Cl)sc1Cl ZINC000312767830 260198768 /nfs/dbraw/zinc/19/87/68/260198768.db2.gz HCEWZDLTXGTYPC-UHFFFAOYSA-N 0 3 263.193 3.838 20 30 CHEDHN N#CCCCCN(Cc1ccco1)Cc1ccccc1 ZINC000057590732 260225374 /nfs/dbraw/zinc/22/53/74/260225374.db2.gz NYGJEMUWMNOWHZ-UHFFFAOYSA-N 0 3 268.360 3.976 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000090451319 260359417 /nfs/dbraw/zinc/35/94/17/260359417.db2.gz KXQVUTQMUQFAPZ-GFCCVEGCSA-N 0 3 296.480 3.992 20 30 CHEDHN C=C(C)CN(C)[C@H]1CCCc2nc(CC)sc21 ZINC000152647598 260662220 /nfs/dbraw/zinc/66/22/20/260662220.db2.gz XVEQASNQJAKMFU-LBPRGKRZSA-N 0 3 250.411 3.591 20 30 CHEDHN C=CCC[C@@H](CC)N[C@@H](COC)c1ccc(C)o1 ZINC000156483671 260794802 /nfs/dbraw/zinc/79/48/02/260794802.db2.gz QPIVXZIYGGYWBZ-KGLIPLIRSA-N 0 3 251.370 3.610 20 30 CHEDHN C=CCC[C@H](CC)N[C@@H](COC)c1ccc(C)o1 ZINC000156483541 260795101 /nfs/dbraw/zinc/79/51/01/260795101.db2.gz QPIVXZIYGGYWBZ-KBPBESRZSA-N 0 3 251.370 3.610 20 30 CHEDHN CC[C@@H](NCCCCC#N)c1nc(C(F)(F)F)cs1 ZINC000185940381 262072447 /nfs/dbraw/zinc/07/24/47/262072447.db2.gz ZMQCWCOUQUSBGH-SECBINFHSA-N 0 3 291.342 3.896 20 30 CHEDHN C[C@H](NCCCCC#N)c1ccc(Br)cc1F ZINC000187950887 262146609 /nfs/dbraw/zinc/14/66/09/262146609.db2.gz BZRNFPDHXMGCOF-JTQLQIEISA-N 0 3 299.187 3.933 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccc(Br)cc1 ZINC000191497883 262192424 /nfs/dbraw/zinc/19/24/24/262192424.db2.gz BHNVKYFOKFUDQV-RISCZKNCSA-N 0 3 295.224 3.662 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000191497868 262192426 /nfs/dbraw/zinc/19/24/26/262192426.db2.gz BHNVKYFOKFUDQV-SMDDNHRTSA-N 0 3 295.224 3.662 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2N2CCCCC2)C1 ZINC000193272058 262219793 /nfs/dbraw/zinc/21/97/93/262219793.db2.gz OARKOXLYNCDRNP-SJLPKXTDSA-N 0 3 297.446 3.849 20 30 CHEDHN COC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000194255007 262235223 /nfs/dbraw/zinc/23/52/23/262235223.db2.gz MPYOABQGSQPGLO-APHBMKBZSA-N 0 3 292.810 3.699 20 30 CHEDHN Cc1oc2ccccc2c1CNCc1cccc(C#N)c1 ZINC000121271062 262336456 /nfs/dbraw/zinc/33/64/56/262336456.db2.gz FKYRFJSVNWLMDY-UHFFFAOYSA-N 0 3 276.339 3.903 20 30 CHEDHN CC(C)(C#N)CCCN1CCC[C@H]1c1cccnc1 ZINC000336803687 262395739 /nfs/dbraw/zinc/39/57/39/262395739.db2.gz ZICXVJCJWJFEBF-HNNXBMFYSA-N 0 3 257.381 3.548 20 30 CHEDHN CC(C)(C#N)CCCCN1CCC[C@@H]1c1cccnc1 ZINC000336828216 262398163 /nfs/dbraw/zinc/39/81/63/262398163.db2.gz XIQHNWOSHXWJJS-MRXNPFEDSA-N 0 3 271.408 3.939 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CC(C)(C)c2ccccc21 ZINC000414168431 262820819 /nfs/dbraw/zinc/82/08/19/262820819.db2.gz QQGXYWTYZZGOES-HNNXBMFYSA-N 0 3 256.393 3.938 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(OC(F)F)cc1 ZINC000272001087 263001053 /nfs/dbraw/zinc/00/10/53/263001053.db2.gz HONLCVNUMJJPFK-NSHDSACASA-N 0 3 282.334 3.878 20 30 CHEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(OC(F)F)cc1 ZINC000272001085 263001211 /nfs/dbraw/zinc/00/12/11/263001211.db2.gz HONLCVNUMJJPFK-LLVKDONJSA-N 0 3 282.334 3.878 20 30 CHEDHN N#CCCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272833727 263009105 /nfs/dbraw/zinc/00/91/05/263009105.db2.gz LPPLMNVDCPIMCW-KRWDZBQOSA-N 0 3 299.805 3.912 20 30 CHEDHN N#CCCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000273071132 263012193 /nfs/dbraw/zinc/01/21/93/263012193.db2.gz OMCHFACYJSMIGQ-UHFFFAOYSA-N 0 3 274.751 3.993 20 30 CHEDHN CCCOc1c(Cl)cc(CNCCCC#N)cc1OC ZINC000273103736 263012686 /nfs/dbraw/zinc/01/26/86/263012686.db2.gz WBLFJBYXOKPJKS-UHFFFAOYSA-N 0 3 296.798 3.531 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1OC(F)F ZINC000274628847 263028012 /nfs/dbraw/zinc/02/80/12/263028012.db2.gz OGXDWIIEYJWLEO-SRVKXCTJSA-N 0 3 280.318 3.631 20 30 CHEDHN Cc1ccc2[nH]c([C@H]3CCCN([C@H](C)CCC#N)C3)nc2c1 ZINC000276306117 263035900 /nfs/dbraw/zinc/03/59/00/263035900.db2.gz LDEPZMVMTUBMGQ-CABCVRRESA-N 0 3 296.418 3.743 20 30 CHEDHN Cc1ccc2nc([C@H]3CCCN([C@H](C)CCC#N)C3)[nH]c2c1 ZINC000276306117 263035901 /nfs/dbraw/zinc/03/59/01/263035901.db2.gz LDEPZMVMTUBMGQ-CABCVRRESA-N 0 3 296.418 3.743 20 30 CHEDHN N#CCCCN1CCC(c2cccc(Cl)c2)CC1 ZINC000280275752 263060077 /nfs/dbraw/zinc/06/00/77/263060077.db2.gz DCYLRRWNEWPFBH-UHFFFAOYSA-N 0 3 262.784 3.823 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281182163 263067019 /nfs/dbraw/zinc/06/70/19/263067019.db2.gz HTXPGDQFRLSYHY-BZUAXINKSA-N 0 3 271.408 3.698 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000282352814 263076059 /nfs/dbraw/zinc/07/60/59/263076059.db2.gz PKQMAUXZQOSQBI-JTNHKYCSSA-N 0 3 293.208 3.792 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000289494599 263110664 /nfs/dbraw/zinc/11/06/64/263110664.db2.gz SVWCPSOLILRQSK-CQSZACIVSA-N 0 3 281.359 3.828 20 30 CHEDHN COC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000290142672 263114937 /nfs/dbraw/zinc/11/49/37/263114937.db2.gz CGXZNQYQVPZRGS-KCXAZCMYSA-N 0 3 292.810 3.699 20 30 CHEDHN C[C@H](c1ccc(Cl)cc1)N(CCOCCC#N)C1CC1 ZINC000292917414 263136582 /nfs/dbraw/zinc/13/65/82/263136582.db2.gz XQAAVILMLLRVFX-CYBMUJFWSA-N 0 3 292.810 3.796 20 30 CHEDHN CN(Cc1cccc(Br)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000293374688 263139553 /nfs/dbraw/zinc/13/95/53/263139553.db2.gz FXZYBORXHNSNDF-SMDDNHRTSA-N 0 3 293.208 3.573 20 30 CHEDHN C=CCC[C@H](CC)N[C@@H](C)c1ncc(Br)cn1 ZINC000340432218 263143503 /nfs/dbraw/zinc/14/35/03/263143503.db2.gz LRMOMRBOSPQZJB-JQWIXIFHSA-N 0 3 298.228 3.635 20 30 CHEDHN C=CCC[C@H](CC)N[C@H](C)c1ncc(Br)cn1 ZINC000340432219 263143522 /nfs/dbraw/zinc/14/35/22/263143522.db2.gz LRMOMRBOSPQZJB-PWSUYJOCSA-N 0 3 298.228 3.635 20 30 CHEDHN C=C[C@H](CO)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000353570138 263175266 /nfs/dbraw/zinc/17/52/66/263175266.db2.gz DGNDZZXFTRHKMU-MFKMUULPSA-N 0 3 274.191 3.581 20 30 CHEDHN C[C@@H](CCC#N)N(C)CCc1cccc(Br)c1 ZINC000298069901 263214895 /nfs/dbraw/zinc/21/48/95/263214895.db2.gz GWHMIJKUXUABGE-LBPRGKRZSA-N 0 3 295.224 3.616 20 30 CHEDHN C[C@H](CCC#N)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000298513330 263220689 /nfs/dbraw/zinc/22/06/89/263220689.db2.gz KUELSXXOMHUUOI-AYOQOUSVSA-N 0 3 294.398 3.743 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000298513334 263220795 /nfs/dbraw/zinc/22/07/95/263220795.db2.gz KUELSXXOMHUUOI-ZYSHUDEJSA-N 0 3 294.398 3.743 20 30 CHEDHN C=C(C)COCCN[C@@H](CCC(C)C)c1ccoc1 ZINC000353625583 263276906 /nfs/dbraw/zinc/27/69/06/263276906.db2.gz VZCKWKXFILCNDF-INIZCTEOSA-N 0 3 265.397 3.939 20 30 CHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](CC)c1ccccc1 ZINC000341185708 263329148 /nfs/dbraw/zinc/32/91/48/263329148.db2.gz AYHAPXGTAZEJPQ-WBVHZDCISA-N 0 3 288.435 3.540 20 30 CHEDHN CC1CCC(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000334422242 263622215 /nfs/dbraw/zinc/62/22/15/263622215.db2.gz DLNIDXAZXGXAMD-YZUHTNEWSA-N 0 3 290.451 3.738 20 30 CHEDHN CS[C@H]1CC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000425353822 264124804 /nfs/dbraw/zinc/12/48/04/264124804.db2.gz NJGLOEQCOMEBSV-KBPBESRZSA-N 0 3 299.361 3.541 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccc(Cl)s1 ZINC000130488538 264352537 /nfs/dbraw/zinc/35/25/37/264352537.db2.gz JZUKXPSIFFJKGQ-JTQLQIEISA-N 0 3 259.802 3.645 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)c1ccccc1)c1ccco1 ZINC000285829857 264568762 /nfs/dbraw/zinc/56/87/62/264568762.db2.gz WVCJUKFERZYJMY-HZPDHXFCSA-N 0 3 271.360 3.610 20 30 CHEDHN N#Cc1csc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000093492224 265182144 /nfs/dbraw/zinc/18/21/44/265182144.db2.gz JWPAOGUOWJYHOH-INIZCTEOSA-N 0 3 268.385 3.861 20 30 CHEDHN C=CCSCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000353256968 266036425 /nfs/dbraw/zinc/03/64/25/266036425.db2.gz ATSSWQMXNACXFI-AWEZNQCLSA-N 0 3 285.840 3.536 20 30 CHEDHN C#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000368030957 267138676 /nfs/dbraw/zinc/13/86/76/267138676.db2.gz QSVWEFIDVYVBQL-WOJBJXKFSA-N 0 3 291.394 3.535 20 30 CHEDHN C=CCCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000369205003 267225704 /nfs/dbraw/zinc/22/57/04/267225704.db2.gz HRFSOTLSYAUXMM-UHFFFAOYSA-N 0 3 283.419 3.685 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1CCSC1 ZINC000369492848 267246922 /nfs/dbraw/zinc/24/69/22/267246922.db2.gz WYDSPQLGZYCDHO-DJIMGWMZSA-N 0 3 286.444 3.511 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC/C=C\c1ccncc1 ZINC000418138329 267360877 /nfs/dbraw/zinc/36/08/77/267360877.db2.gz CQNHUDXUJBEFLR-FFPCURRISA-N 0 3 289.382 3.634 20 30 CHEDHN Cc1ccc(CC[C@H](C)NCC2(C#N)CCC2)cc1 ZINC000418144045 267365294 /nfs/dbraw/zinc/36/52/94/267365294.db2.gz SCUBGDVVQJLDDU-HNNXBMFYSA-N 0 3 256.393 3.600 20 30 CHEDHN C[C@@]1(c2ccccc2)CC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418144730 267366547 /nfs/dbraw/zinc/36/65/47/267366547.db2.gz VBZKKDACLLCFLG-IAGOWNOFSA-N 0 3 268.404 3.780 20 30 CHEDHN Cc1ccc([C@H]2CCC[C@H]2NCC2(C#N)CCC2)cc1 ZINC000418137955 267372001 /nfs/dbraw/zinc/37/20/01/267372001.db2.gz FPFFYTUZYWODAQ-IAGOWNOFSA-N 0 3 268.404 3.915 20 30 CHEDHN N#CCC[C@@H](N[C@H]1CCC12CCOCC2)c1ccccc1 ZINC000377121707 268049772 /nfs/dbraw/zinc/04/97/72/268049772.db2.gz XKPUHPSURSFXNA-SJORKVTESA-N 0 3 284.403 3.580 20 30 CHEDHN N#CCCC1CCN(CCc2cccc(Cl)c2)CC1 ZINC000563157289 327932549 /nfs/dbraw/zinc/93/25/49/327932549.db2.gz ANCFEGKSAHPAQE-UHFFFAOYSA-N 0 3 276.811 3.898 20 30 CHEDHN N#Cc1ccc(CNCc2ccc(C3CC3)cc2)cc1 ZINC000094519103 327954798 /nfs/dbraw/zinc/95/47/98/327954798.db2.gz YCCYKUVAAFPUSN-UHFFFAOYSA-N 0 3 262.356 3.725 20 30 CHEDHN C=C(CNCc1ccc(OC)cc1OC)c1ccccc1 ZINC000110057663 328031256 /nfs/dbraw/zinc/03/12/56/328031256.db2.gz RIKUGHDHWUAXRF-UHFFFAOYSA-N 0 3 283.371 3.507 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCCOC1 ZINC000531765411 328031630 /nfs/dbraw/zinc/03/16/30/328031630.db2.gz VXHUOIUBHQSDDM-LBPRGKRZSA-N 0 3 285.840 3.816 20 30 CHEDHN CC[C@@H](NCCOC1CCCC1)c1ccc(C#N)cc1 ZINC000571251326 328094570 /nfs/dbraw/zinc/09/45/70/328094570.db2.gz SLAYDRXHAJJQSB-QGZVFWFLSA-N 0 3 272.392 3.558 20 30 CHEDHN C=CC(C)(C)CNCc1ccsc1Br ZINC000388737098 328105035 /nfs/dbraw/zinc/10/50/35/328105035.db2.gz HLIPKDJFSAVCLI-UHFFFAOYSA-N 0 3 274.227 3.812 20 30 CHEDHN C=C(C)COCCNCc1cccc(OC2CCCC2)c1 ZINC000531883846 328114567 /nfs/dbraw/zinc/11/45/67/328114567.db2.gz RSHTXMXJMAZFOA-UHFFFAOYSA-N 0 3 289.419 3.690 20 30 CHEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000534463266 328130568 /nfs/dbraw/zinc/13/05/68/328130568.db2.gz DUSJMASIBKUKJS-CYBMUJFWSA-N 0 3 286.419 3.538 20 30 CHEDHN Cc1cc(C)cc([C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000266483817 328169580 /nfs/dbraw/zinc/16/95/80/328169580.db2.gz UHJVUKBHJFTQJF-KXBFYZLASA-N 0 3 294.398 3.559 20 30 CHEDHN N#CCCN[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414450149 328177226 /nfs/dbraw/zinc/17/72/26/328177226.db2.gz WMJIDMJVMTVKRX-ZFWWWQNUSA-N 0 3 262.784 3.869 20 30 CHEDHN CC(C)Oc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000274636406 328212303 /nfs/dbraw/zinc/21/23/03/328212303.db2.gz QAQZRPXAHYXLDW-SQWLQELKSA-N 0 3 272.392 3.817 20 30 CHEDHN CC(F)(F)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000340426757 328276071 /nfs/dbraw/zinc/27/60/71/328276071.db2.gz NSGLNORQUNQELG-TZMCWYRMSA-N 0 3 264.319 3.580 20 30 CHEDHN CN(Cc1cc(Br)cs1)[C@@H]1CC[C@H](C#N)C1 ZINC000293601894 328276965 /nfs/dbraw/zinc/27/69/65/328276965.db2.gz VCLRVWMKNCVEFL-GXSJLCMTSA-N 0 3 299.237 3.635 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(Cl)cc2F)C1 ZINC000294991125 328284034 /nfs/dbraw/zinc/28/40/34/328284034.db2.gz HMSCVVCBXZEGFQ-GWCFXTLKSA-N 0 3 266.747 3.651 20 30 CHEDHN C[C@@H](NCCSCC(F)(F)F)c1cccc(C#N)c1 ZINC000344308434 328557424 /nfs/dbraw/zinc/55/74/24/328557424.db2.gz YNJHYJSQXQNYBZ-SNVBAGLBSA-N 0 3 288.338 3.504 20 30 CHEDHN CC(C)(C#N)CCCN1CCC(C(F)(F)F)CC1 ZINC000088420339 330376248 /nfs/dbraw/zinc/37/62/48/330376248.db2.gz GXICPWZOVFDFBY-UHFFFAOYSA-N 0 3 262.319 3.591 20 30 CHEDHN COc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000556604174 326954262 /nfs/dbraw/zinc/95/42/62/326954262.db2.gz ZPGDZUIRAVKZJC-CQSZACIVSA-N 0 3 292.382 3.907 20 30 CHEDHN CC1(C)CCC(C)(CNC[C@H](C#N)CCC#N)CC1 ZINC000557258477 326998975 /nfs/dbraw/zinc/99/89/75/326998975.db2.gz RNOIRCXUHNBJJO-AWEZNQCLSA-N 0 3 261.413 3.626 20 30 CHEDHN CC(C)CO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000557807226 327028393 /nfs/dbraw/zinc/02/83/93/327028393.db2.gz DXVPVZVCXMDCHV-LSDHHAIUSA-N 0 3 292.448 3.549 20 30 CHEDHN CC(C)(C#N)CCCN1Cc2ccccc2OC(C)(C)C1 ZINC000558176997 327076986 /nfs/dbraw/zinc/07/69/86/327076986.db2.gz VTFJZHSYDMTPOE-UHFFFAOYSA-N 0 3 286.419 3.990 20 30 CHEDHN C=CCOCCN[C@H](c1ccccc1F)C1CCCC1 ZINC000559147066 327143269 /nfs/dbraw/zinc/14/32/69/327143269.db2.gz LSMNSMLEYAYOOZ-KRWDZBQOSA-N 0 3 277.383 3.849 20 30 CHEDHN C=CCOCCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000559187216 327145323 /nfs/dbraw/zinc/14/53/23/327145323.db2.gz RHGWLQOAZCVNGV-UHFFFAOYSA-N 0 3 277.795 3.632 20 30 CHEDHN N#CC1(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000559334010 327161227 /nfs/dbraw/zinc/16/12/27/327161227.db2.gz BWZSNSRKAJJGLU-INIZCTEOSA-N 0 3 270.351 3.655 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccc(OC3CCCCC3)nc2)C1 ZINC000518473115 327166144 /nfs/dbraw/zinc/16/61/44/327166144.db2.gz NVWRYRORBLIYFD-HOCLYGCPSA-N 0 3 299.418 3.575 20 30 CHEDHN Cc1ccc(C(C)(C)CN(C)Cc2ccc(C#N)o2)cc1 ZINC000093668664 327199206 /nfs/dbraw/zinc/19/92/06/327199206.db2.gz ZWIUKTRGVNDDFN-UHFFFAOYSA-N 0 3 282.387 3.869 20 30 CHEDHN C=CCOc1ccc(CNC2(COC)CCC2)cc1Cl ZINC000560072447 327282552 /nfs/dbraw/zinc/28/25/52/327282552.db2.gz WLHSADRBGRLVDS-UHFFFAOYSA-N 0 3 295.810 3.564 20 30 CHEDHN C[C@H](NCC1(C(F)(F)F)CCC1)c1cccc(C#N)c1 ZINC000507236199 332799383 /nfs/dbraw/zinc/79/93/83/332799383.db2.gz XILTVWSBQZDMDU-NSHDSACASA-N 0 3 282.309 3.941 20 30 CHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000399129952 328665835 /nfs/dbraw/zinc/66/58/35/328665835.db2.gz MUHQSEOABBVNKL-CYBMUJFWSA-N 0 3 268.335 3.743 20 30 CHEDHN C=C(Cl)CNC1CC(c2cc(F)cc(F)c2)C1 ZINC000377547773 329018322 /nfs/dbraw/zinc/01/83/22/329018322.db2.gz DGPRXABOEBTKLW-UHFFFAOYSA-N 0 3 257.711 3.553 20 30 CHEDHN CC(C)(C#N)CCCCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377784834 329029376 /nfs/dbraw/zinc/02/93/76/329029376.db2.gz PXFASWWIHNJGCP-HZPDHXFCSA-N 0 3 290.451 3.740 20 30 CHEDHN C[C@@H](c1cccc(F)c1)N(C)Cc1ccc(C#N)cc1 ZINC000532899635 329171411 /nfs/dbraw/zinc/17/14/11/329171411.db2.gz ZFWIZEHNSFDDAA-ZDUSSCGKSA-N 0 3 268.335 3.890 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCc2ccc(F)cc21 ZINC000177683945 329188881 /nfs/dbraw/zinc/18/88/81/329188881.db2.gz KMQPWVJMNCFCAH-SFHVURJKSA-N 0 3 280.346 3.817 20 30 CHEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCc2ccc(F)cc21 ZINC000177683883 329188927 /nfs/dbraw/zinc/18/89/27/329188927.db2.gz JZCBWEYQZZEWOM-SFHVURJKSA-N 0 3 280.346 3.817 20 30 CHEDHN C#CCCCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000178061442 329191328 /nfs/dbraw/zinc/19/13/28/329191328.db2.gz SUPHCFBMSSUWLJ-ZDUSSCGKSA-N 0 3 270.401 3.874 20 30 CHEDHN C=CCN[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000179701924 329207330 /nfs/dbraw/zinc/20/73/30/329207330.db2.gz HNLBXVHZTJAKPO-CQSZACIVSA-N 0 3 298.386 3.506 20 30 CHEDHN C=CCSCCN[C@@H]1CSCCc2ccccc21 ZINC000180458926 329217435 /nfs/dbraw/zinc/21/74/35/329217435.db2.gz WBJALEBDYRVJOP-OAHLLOKOSA-N 0 3 279.474 3.526 20 30 CHEDHN CC(C)(C#N)CCCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183354255 329247252 /nfs/dbraw/zinc/24/72/52/329247252.db2.gz BTHIVZYEQSKSOV-INIZCTEOSA-N 0 3 290.382 3.609 20 30 CHEDHN CC(C)N(Cc1ccc(Cl)cc1C#N)C1CCOCC1 ZINC000187267432 329356100 /nfs/dbraw/zinc/35/61/00/329356100.db2.gz NGKZZLLRTXAWQL-UHFFFAOYSA-N 0 3 292.810 3.601 20 30 CHEDHN C=C(C)CCNC1(c2ccc(F)cc2F)CCC1 ZINC000509008336 332855635 /nfs/dbraw/zinc/85/56/35/332855635.db2.gz WKFMAJBVMWWYMO-UHFFFAOYSA-N 0 3 251.320 3.900 20 30 CHEDHN C=CCC[C@H](CO)NCc1c(Cl)oc2ccccc21 ZINC000321534055 329372377 /nfs/dbraw/zinc/37/23/77/329372377.db2.gz ZAYCFAQIUPDCRG-LLVKDONJSA-N 0 3 279.767 3.503 20 30 CHEDHN C=CCN(CC=C)Cc1ccc2nc(C)ccc2c1 ZINC000189528035 329382943 /nfs/dbraw/zinc/38/29/43/329382943.db2.gz XERXZUWNFZKTNH-UHFFFAOYSA-N 0 3 252.361 3.717 20 30 CHEDHN C=CC[C@H](CC)NCc1ccccc1Br ZINC000308949628 332860305 /nfs/dbraw/zinc/86/03/05/332860305.db2.gz ORUMTFXJLADSOW-LBPRGKRZSA-N 0 3 268.198 3.893 20 30 CHEDHN C=CCC(C)(C)CN[C@H](C)c1ccc(Cl)cn1 ZINC000521473082 329646268 /nfs/dbraw/zinc/64/62/68/329646268.db2.gz UPVIYYYDNXCEEI-LLVKDONJSA-N 0 3 252.789 3.988 20 30 CHEDHN C=C(C)CCN1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000509671606 332877879 /nfs/dbraw/zinc/87/78/79/332877879.db2.gz GANVKGGNUVMDMR-CQSZACIVSA-N 0 3 294.389 3.610 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1CCC(C)(C)O1)c1ccco1 ZINC000572298094 329970564 /nfs/dbraw/zinc/97/05/64/329970564.db2.gz KNBONZUXZQIZQS-KBPBESRZSA-N 0 3 263.381 3.834 20 30 CHEDHN C=C1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000264461459 330061126 /nfs/dbraw/zinc/06/11/26/330061126.db2.gz KQZUIPGUJOYHLY-UHFFFAOYSA-N 0 3 294.398 3.813 20 30 CHEDHN C=C(CN[C@@H](C)c1cnn(C(C)C)c1)c1ccccc1 ZINC000268876200 330066641 /nfs/dbraw/zinc/06/66/41/330066641.db2.gz YVQWWRQUIWHLRV-HNNXBMFYSA-N 0 3 269.392 3.828 20 30 CHEDHN C#CCCCN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000271061424 330077712 /nfs/dbraw/zinc/07/77/12/330077712.db2.gz SODNQEOGJUXYPS-CYBMUJFWSA-N 0 3 264.438 3.981 20 30 CHEDHN COc1cc(Cl)ccc1[C@H](C)NCC(C)(C)CC#N ZINC000421853394 330088319 /nfs/dbraw/zinc/08/83/19/330088319.db2.gz IZDURPZGUISLGL-NSHDSACASA-N 0 3 280.799 3.939 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1ccc(C#N)cc1 ZINC000421868583 330099484 /nfs/dbraw/zinc/09/94/84/330099484.db2.gz CXHHHBZJXOEZQU-MRXNPFEDSA-N 0 3 281.384 3.732 20 30 CHEDHN N#Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)s1 ZINC000421895035 330104777 /nfs/dbraw/zinc/10/47/77/330104777.db2.gz YIKSZGDYZIBTDT-MRXNPFEDSA-N 0 3 283.400 3.646 20 30 CHEDHN C=C(C)CCN[C@H](COCC(C)C)c1ccco1 ZINC000274864287 330108040 /nfs/dbraw/zinc/10/80/40/330108040.db2.gz VFWFFMRQCWRHEO-CQSZACIVSA-N 0 3 251.370 3.549 20 30 CHEDHN C#CCOc1ccccc1C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000274978048 330108603 /nfs/dbraw/zinc/10/86/03/330108603.db2.gz YXFBOOPMTPQXAN-KRWDZBQOSA-N 0 3 295.382 3.645 20 30 CHEDHN C=CCC[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccco1 ZINC000276387590 330113065 /nfs/dbraw/zinc/11/30/65/330113065.db2.gz AWTWTTYJMDEPHC-HOTGVXAUSA-N 0 3 297.402 3.550 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000276842202 330114558 /nfs/dbraw/zinc/11/45/58/330114558.db2.gz CDUUNFKZPZSEBR-CYDGBPFRSA-N 0 3 264.417 3.570 20 30 CHEDHN C[C@@H](NCc1ccc2c(c1)CCCN2)c1ccc(C#N)cc1 ZINC000423454767 330203382 /nfs/dbraw/zinc/20/33/82/330203382.db2.gz ZNUNPESMEOOFRJ-CQSZACIVSA-N 0 3 291.398 3.767 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCC2 ZINC000424126574 330258971 /nfs/dbraw/zinc/25/89/71/330258971.db2.gz OZLWVWVRZRNOEJ-GDZNZVCISA-N 0 3 254.377 3.518 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3ccc(Cl)cc32)C1 ZINC000424128083 330259541 /nfs/dbraw/zinc/25/95/41/330259541.db2.gz QUPOZLZEUSMEKY-ZBINZKHDSA-N 0 3 260.768 3.609 20 30 CHEDHN C=CC[C@H](C)N[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527870761 330286095 /nfs/dbraw/zinc/28/60/95/330286095.db2.gz RXTJWOHLYAHULH-UONOGXRCSA-N 0 3 269.392 3.702 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527905335 330289694 /nfs/dbraw/zinc/28/96/94/330289694.db2.gz NKVAQXUFSNYQMW-XHSDSOJGSA-N 0 3 295.785 3.790 20 30 CHEDHN C=C(C)CCN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527901998 330293542 /nfs/dbraw/zinc/29/35/42/330293542.db2.gz DPVLPLIZLKLOMB-CQSZACIVSA-N 0 3 269.392 3.704 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OC2CCCC2)C1 ZINC000424204920 330327594 /nfs/dbraw/zinc/32/75/94/330327594.db2.gz VTBDFPNQTHGYGY-ZBFHGGJFSA-N 0 3 284.403 3.790 20 30 CHEDHN CC(C)(C)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424206367 330327717 /nfs/dbraw/zinc/32/77/17/330327717.db2.gz WWLHEOONAFIWIZ-NWDGAFQWSA-N 0 3 262.422 3.827 20 30 CHEDHN CSc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000424321131 330340213 /nfs/dbraw/zinc/34/02/13/330340213.db2.gz GSSBFWNYZZHOHO-GMXVVIOVSA-N 0 3 278.396 3.890 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OC(F)F ZINC000424328732 330341821 /nfs/dbraw/zinc/34/18/21/330341821.db2.gz OGXDWIIEYJWLEO-GRYCIOLGSA-N 0 3 280.318 3.631 20 30 CHEDHN C=C1CCN(Cc2ccc(CN3CCC(=C)CC3)cc2)CC1 ZINC000533283312 330356504 /nfs/dbraw/zinc/35/65/04/330356504.db2.gz YXXIAFRGLQXKHT-UHFFFAOYSA-N 0 3 296.458 3.991 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC000533309343 330356993 /nfs/dbraw/zinc/35/69/93/330356993.db2.gz LENSEEYCOHWFCZ-IIAWOOMASA-N 0 3 272.367 3.756 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CCCc3ccccc32)c(F)c1 ZINC000533311720 330357147 /nfs/dbraw/zinc/35/71/47/330357147.db2.gz GRXASPWGQFBIHR-MRXNPFEDSA-N 0 3 294.373 3.907 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000119309519 330372529 /nfs/dbraw/zinc/37/25/29/330372529.db2.gz SHPLKLOSZRPFGQ-UWVGGRQHSA-N 0 3 284.197 3.683 20 30 CHEDHN C=C(C)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000119627487 330377969 /nfs/dbraw/zinc/37/79/69/330377969.db2.gz WDYKDFVYEUGMMF-UHFFFAOYSA-N 0 3 292.382 3.803 20 30 CHEDHN C=C(C)CNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000119652321 330378246 /nfs/dbraw/zinc/37/82/46/330378246.db2.gz CBLIGOCENZPQFM-HNNXBMFYSA-N 0 3 295.810 3.564 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000090883806 330396675 /nfs/dbraw/zinc/39/66/75/330396675.db2.gz QAXBAOYHRQDACN-INIZCTEOSA-N 0 3 296.414 3.992 20 30 CHEDHN N#Cc1ccccc1-c1ccc(CNCc2cccnc2)cc1 ZINC000091068207 330398381 /nfs/dbraw/zinc/39/83/81/330398381.db2.gz CEILLSXBUDMDFP-UHFFFAOYSA-N 0 3 299.377 3.910 20 30 CHEDHN CC[C@H](CC#N)NCCc1ccc(C(C)(C)C)cc1 ZINC000572475336 330476073 /nfs/dbraw/zinc/47/60/73/330476073.db2.gz HJNCPLZGSWQVEH-MRXNPFEDSA-N 0 3 258.409 3.808 20 30 CHEDHN Cc1cc(CNCC2(CC#N)CC2)c(OC(F)F)cc1C ZINC000430020813 330557361 /nfs/dbraw/zinc/55/73/61/330557361.db2.gz PNUOKCTTZSVSEY-UHFFFAOYSA-N 0 3 294.345 3.688 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)CCC2 ZINC000430751260 330573062 /nfs/dbraw/zinc/57/30/62/330573062.db2.gz UKYITMNBWQTNOX-CYBMUJFWSA-N 0 3 254.377 3.520 20 30 CHEDHN C=CCC[C@H](NCc1cccnc1OCCC)C1CC1 ZINC000439066907 330733328 /nfs/dbraw/zinc/73/33/28/330733328.db2.gz DZWGPDYDXHALKH-INIZCTEOSA-N 0 3 274.408 3.705 20 30 CHEDHN Cc1cccc([C@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000157237409 330771767 /nfs/dbraw/zinc/77/17/67/330771767.db2.gz MSSYNMKNXOEJCU-HNNXBMFYSA-N 0 3 280.371 3.748 20 30 CHEDHN CCCCOc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442713099 330780252 /nfs/dbraw/zinc/78/02/52/330780252.db2.gz HQXQXOZSSFAAPU-HOCLYGCPSA-N 0 3 272.392 3.647 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCCOc2cccc3ccccc32)C1 ZINC000442787550 330783438 /nfs/dbraw/zinc/78/34/38/330783438.db2.gz WYOJNRBOBNESBT-GOEBONIOSA-N 0 3 280.371 3.500 20 30 CHEDHN Cc1[nH]c2c(cc(C)cc2CN[C@H]2CC[C@H](C#N)C2)c1C ZINC000442788354 330783557 /nfs/dbraw/zinc/78/35/57/330783557.db2.gz ZUFICBARCMSUAE-HOCLYGCPSA-N 0 3 281.403 3.875 20 30 CHEDHN Cc1[nH]c2c(cc(C)cc2CN[C@H]2CC[C@@H](C#N)C2)c1C ZINC000442788356 330783569 /nfs/dbraw/zinc/78/35/69/330783569.db2.gz ZUFICBARCMSUAE-ZBFHGGJFSA-N 0 3 281.403 3.875 20 30 CHEDHN N#Cc1ccc(CNC2CCC(C(F)F)CC2)c(F)c1 ZINC000442797024 330784483 /nfs/dbraw/zinc/78/44/83/330784483.db2.gz WNNFRRLUCLHDDU-UHFFFAOYSA-N 0 3 282.309 3.611 20 30 CHEDHN Cc1cc(C(F)(F)F)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442870435 330788969 /nfs/dbraw/zinc/78/89/69/330788969.db2.gz CVQRMDXHNZWPJQ-FZMZJTMJSA-N 0 3 282.309 3.796 20 30 CHEDHN CO[C@H](c1ccccc1Cl)[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000442870930 330789116 /nfs/dbraw/zinc/78/91/16/330789116.db2.gz LBHQVYLKOICXIB-QCQGSNGOSA-N 0 3 292.810 3.698 20 30 CHEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000446821531 330855219 /nfs/dbraw/zinc/85/52/19/330855219.db2.gz PUNYSIILSCKXKJ-LOUJCGABSA-N 0 3 290.382 3.574 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CSc3ccccc32)C1 ZINC000447539540 330868983 /nfs/dbraw/zinc/86/89/83/330868983.db2.gz HBDURTINCVIAHA-DYEKYZERSA-N 0 3 258.390 3.505 20 30 CHEDHN C=C(C)[C@H](N[C@@H]1CSC[C@H]1C)c1ccc(F)c(F)c1 ZINC000449252186 330910050 /nfs/dbraw/zinc/91/00/50/330910050.db2.gz UGDBCTFQQHFVLJ-KMUNFCNLSA-N 0 3 283.387 3.923 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2cc(C3CC3)ccc2F)C1 ZINC000449373518 330920138 /nfs/dbraw/zinc/92/01/38/330920138.db2.gz RMYHFYCWXFWUHK-WBMJQRKESA-N 0 3 272.367 3.875 20 30 CHEDHN CCc1ccc2nccc(N[C@H]3CC[C@@H](CC#N)C3)c2c1 ZINC000450669894 330992331 /nfs/dbraw/zinc/99/23/31/330992331.db2.gz CUWVLTCYZAGGHM-GJZGRUSLSA-N 0 3 279.387 3.713 20 30 CHEDHN C=CCCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451015340 331011824 /nfs/dbraw/zinc/01/18/24/331011824.db2.gz JMYSNRLBOSONTM-CQSZACIVSA-N 0 3 275.783 3.929 20 30 CHEDHN Cc1cccc(CN[C@H](CCCC#N)c2ccccc2)n1 ZINC000451066455 331014552 /nfs/dbraw/zinc/01/45/52/331014552.db2.gz UTAGQHGZYIRSCY-GOSISDBHSA-N 0 3 279.387 3.915 20 30 CHEDHN C=CCCC[C@H](C)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451289771 331023267 /nfs/dbraw/zinc/02/32/67/331023267.db2.gz YKPYFGSXLMXDFP-CGTJXYLNSA-N 0 3 291.410 3.531 20 30 CHEDHN N#CCCCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451354941 331025506 /nfs/dbraw/zinc/02/55/06/331025506.db2.gz OTQQMHFVVZQMAI-CQSZACIVSA-N 0 3 266.747 3.824 20 30 CHEDHN N#CCCCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451972256 331049035 /nfs/dbraw/zinc/04/90/35/331049035.db2.gz MQEIQCCDFADLCK-HNNXBMFYSA-N 0 3 264.319 3.796 20 30 CHEDHN C=CCCOCCN[C@H](C)c1ccccc1SC ZINC000194938571 331080142 /nfs/dbraw/zinc/08/01/42/331080142.db2.gz SMIUAJVIFSAXGN-CYBMUJFWSA-N 0 3 265.422 3.652 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453132686 331092529 /nfs/dbraw/zinc/09/25/29/331092529.db2.gz ACFGGWRRSQNKOJ-KGLIPLIRSA-N 0 3 269.392 3.702 20 30 CHEDHN C[C@@H]1CC[C@H](NCC2(CC#N)CC2)c2sccc21 ZINC000453210007 331101674 /nfs/dbraw/zinc/10/16/74/331101674.db2.gz JBILPVWYHFVMSZ-YPMHNXCESA-N 0 3 260.406 3.970 20 30 CHEDHN C[C@H](NCC1=CCCCC1)c1ccc(C#N)c(F)c1 ZINC000453247645 331107048 /nfs/dbraw/zinc/10/70/48/331107048.db2.gz KHGAZKWVAGOHGF-LBPRGKRZSA-N 0 3 258.340 3.848 20 30 CHEDHN C[C@@H](NCC1=CCCCC1)c1ccc(C#N)c(F)c1 ZINC000453247642 331107099 /nfs/dbraw/zinc/10/70/99/331107099.db2.gz KHGAZKWVAGOHGF-GFCCVEGCSA-N 0 3 258.340 3.848 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccsc1 ZINC000453263807 331109034 /nfs/dbraw/zinc/10/90/34/331109034.db2.gz ZMMDOEPTAKUIDY-OAHLLOKOSA-N 0 3 286.400 3.869 20 30 CHEDHN C=CCC[C@@H](NCC1(CF)CCOCC1)c1ccco1 ZINC000453303987 331113761 /nfs/dbraw/zinc/11/37/61/331113761.db2.gz FCGSQPSXBKUWII-CQSZACIVSA-N 0 3 281.371 3.643 20 30 CHEDHN Cc1cccnc1CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000453306450 331113985 /nfs/dbraw/zinc/11/39/85/331113985.db2.gz JNQIEYNESOFKNG-CQSZACIVSA-N 0 3 297.377 3.684 20 30 CHEDHN C=C(C)CCN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000453321531 331116454 /nfs/dbraw/zinc/11/64/54/331116454.db2.gz PXWFLMDRJNNQAJ-LLVKDONJSA-N 0 3 283.799 3.974 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000453341804 331119185 /nfs/dbraw/zinc/11/91/85/331119185.db2.gz CYTUJNNQCFYKJT-BMFZPTHFSA-N 0 3 283.371 3.941 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CCC)c1ccsc1 ZINC000453345995 331119905 /nfs/dbraw/zinc/11/99/05/331119905.db2.gz GLJWSZRSNVAZJG-MCIONIFRSA-N 0 3 251.395 3.522 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1OCC ZINC000453352027 331120868 /nfs/dbraw/zinc/12/08/68/331120868.db2.gz KORUPTFSLYECIE-GXTWGEPZSA-N 0 3 297.826 3.716 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccccc1OC(F)F ZINC000453354316 331121318 /nfs/dbraw/zinc/12/13/18/331121318.db2.gz KVLLJICFDZGMOV-MJBXVCDLSA-N 0 3 297.345 3.672 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1csc(Cl)c1 ZINC000453379355 331125557 /nfs/dbraw/zinc/12/55/57/331125557.db2.gz ZBLKHIADEGZPAI-WCQGTBRESA-N 0 3 271.813 3.786 20 30 CHEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000457126870 331212726 /nfs/dbraw/zinc/21/27/26/331212726.db2.gz PYHIIIFCBHRWLV-OSAQELSMSA-N 0 3 290.794 3.642 20 30 CHEDHN CC[C@]1(C(C)C)C[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000457283112 331218070 /nfs/dbraw/zinc/21/80/70/331218070.db2.gz NLUCCAVUIGKFEL-JENIJYKNSA-N 0 3 298.430 3.700 20 30 CHEDHN C=CCCCCCN(C)Cc1cnc(C2CC2)nc1 ZINC000459351828 331277576 /nfs/dbraw/zinc/27/75/76/331277576.db2.gz UJFZSBXVSZNDCR-UHFFFAOYSA-N 0 3 259.397 3.532 20 30 CHEDHN CC[C@@H]1CCCC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459407414 331280222 /nfs/dbraw/zinc/28/02/22/331280222.db2.gz MBIBDSUTGDQBNG-IUODEOHRSA-N 0 3 287.363 3.525 20 30 CHEDHN N#CCCCOc1cccc(CN2CC(C3CCCC3)C2)c1 ZINC000459618756 331290705 /nfs/dbraw/zinc/29/07/05/331290705.db2.gz SQULWAJQJZISIR-UHFFFAOYSA-N 0 3 298.430 3.991 20 30 CHEDHN N#C[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000459665240 331293033 /nfs/dbraw/zinc/29/30/33/331293033.db2.gz KFAQZGWWFCNTAH-KZWBYHQPSA-N 0 3 278.758 3.617 20 30 CHEDHN CC(C)(CC#N)CNCc1cc(Br)cs1 ZINC000459686539 331294468 /nfs/dbraw/zinc/29/44/68/331294468.db2.gz FTXQEOTUFNGHNX-UHFFFAOYSA-N 0 3 287.226 3.540 20 30 CHEDHN COc1ccc2cc(CNCC(C)(C)CC#N)ccc2c1 ZINC000459699721 331295033 /nfs/dbraw/zinc/29/50/33/331295033.db2.gz RNUZRFONDPSDNU-UHFFFAOYSA-N 0 3 282.387 3.878 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459717341 331295474 /nfs/dbraw/zinc/29/54/74/331295474.db2.gz WWIIZHLAFQHUJV-YODMDTAWSA-N 0 3 295.448 3.511 20 30 CHEDHN CC(C)(CC#N)CNCc1cccc(-c2ccccn2)c1 ZINC000459733640 331296782 /nfs/dbraw/zinc/29/67/82/331296782.db2.gz QWQRWRALFLSLJV-UHFFFAOYSA-N 0 3 279.387 3.778 20 30 CHEDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccc(C#N)s1 ZINC000459746227 331297978 /nfs/dbraw/zinc/29/79/78/331297978.db2.gz IRBRCWSBWHQCJO-LBPRGKRZSA-N 0 3 288.391 3.822 20 30 CHEDHN CC#CCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446177 331451653 /nfs/dbraw/zinc/45/16/53/331451653.db2.gz LNSOLRMNNXKGBL-UHFFFAOYSA-N 0 3 275.342 3.857 20 30 CHEDHN C=C(C)[C@H](NC[C@H]1CCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000479428138 331728895 /nfs/dbraw/zinc/72/88/95/331728895.db2.gz UAGXXAYPZSBCJW-DCGLDWPTSA-N 0 3 295.373 3.987 20 30 CHEDHN Cn1cc(CNC2(c3ccccc3)CCCCC2)cc1C#N ZINC000480376982 331770544 /nfs/dbraw/zinc/77/05/44/331770544.db2.gz MNLTYVJBQMWZPU-UHFFFAOYSA-N 0 3 293.414 3.846 20 30 CHEDHN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000480665633 331782454 /nfs/dbraw/zinc/78/24/54/331782454.db2.gz OSDDCLOUCPBLOG-DTWKUNHWSA-N 0 3 274.261 3.546 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cccc(OC(F)F)c1 ZINC000489435306 332052311 /nfs/dbraw/zinc/05/23/11/332052311.db2.gz UANSUVCPOODJNY-CYBMUJFWSA-N 0 3 267.319 3.829 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cnc2c(cnn2C(C)C)c1 ZINC000489482598 332055363 /nfs/dbraw/zinc/05/53/63/332055363.db2.gz OGEHTFQVNDZDAC-MRXNPFEDSA-N 0 3 284.407 3.553 20 30 CHEDHN C=CCN(CCOc1cccc(F)c1)CCc1ccco1 ZINC000491422044 332208619 /nfs/dbraw/zinc/20/86/19/332208619.db2.gz GRRKKVVELIFYDR-UHFFFAOYSA-N 0 3 289.350 3.528 20 30 CHEDHN CC#CCCNCc1cnc(-c2ccc(C)cc2)s1 ZINC000499218889 332582694 /nfs/dbraw/zinc/58/26/94/332582694.db2.gz ZFHOQCXDNAGSRM-UHFFFAOYSA-N 0 3 270.401 3.622 20 30 CHEDHN CC#CCCNCc1cccc(OCc2ccccc2F)c1 ZINC000499218017 332582698 /nfs/dbraw/zinc/58/26/98/332582698.db2.gz XAELLHMJHXMCDS-UHFFFAOYSA-N 0 3 297.373 3.908 20 30 CHEDHN C[C@H]1C[C@@]1(NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000500393357 332606595 /nfs/dbraw/zinc/60/65/95/332606595.db2.gz BCXUWCIVFQLGCF-SJCJKPOMSA-N 0 3 299.805 3.575 20 30 CHEDHN C[C@H](CCc1ccco1)N[C@H](C)c1ccc(C#N)cc1F ZINC000512659553 332978380 /nfs/dbraw/zinc/97/83/80/332978380.db2.gz HXKMVHFTIFGUND-CHWSQXEVSA-N 0 3 286.350 3.962 20 30 CHEDHN C=CCOCCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000305503698 332994109 /nfs/dbraw/zinc/99/41/09/332994109.db2.gz HCDHUBJKHUDFKE-HNNXBMFYSA-N 0 3 265.784 3.583 20 30 CHEDHN CC(C)CC[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305826411 333000448 /nfs/dbraw/zinc/00/04/48/333000448.db2.gz RDTPRJGKRCTERT-SUMWQHHRSA-N 0 3 292.398 3.535 20 30 CHEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCCC(C)(C)C#N ZINC000174857813 333009142 /nfs/dbraw/zinc/00/91/42/333009142.db2.gz PHVYYOLDFQLNDE-QGZVFWFLSA-N 0 3 299.462 3.523 20 30 CHEDHN CC[C@H](C)[C@@H](C)N(Cc1ccccc1C#N)C1CC1 ZINC000513446674 333020032 /nfs/dbraw/zinc/02/00/32/333020032.db2.gz HRNZYJXKNYRQDF-UONOGXRCSA-N 0 3 256.393 3.957 20 30 CHEDHN C=CCC[C@@H](N[C@H](C)CC(=O)OC(C)(C)C)c1ccco1 ZINC000513707400 333034089 /nfs/dbraw/zinc/03/40/89/333034089.db2.gz CDQCHAYKBDFPMA-ZIAGYGMSSA-N 0 3 293.407 3.997 20 30 CHEDHN CCOc1cc(Cl)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185866066 333150606 /nfs/dbraw/zinc/15/06/06/333150606.db2.gz JOVRUYQFTANSRT-DOMZBBRYSA-N 0 3 292.810 3.911 20 30 CHEDHN Cc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1Cl ZINC000185898897 333151448 /nfs/dbraw/zinc/15/14/48/333151448.db2.gz QPSDOEIWDAIFPE-TZMCWYRMSA-N 0 3 262.784 3.820 20 30 CHEDHN C=C(C)[C@H](N[C@H](C)C1CC1)c1ccc(F)c(F)c1 ZINC000186446583 333161132 /nfs/dbraw/zinc/16/11/32/333161132.db2.gz JOKXIZZNWCODNY-BMIGLBTASA-N 0 3 251.320 3.970 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000189340403 333190540 /nfs/dbraw/zinc/19/05/40/333190540.db2.gz PBGPULNHLKDZRF-AWEZNQCLSA-N 0 3 262.356 3.678 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(F)c1 ZINC000189346645 333190819 /nfs/dbraw/zinc/19/08/19/333190819.db2.gz SKAGGKFLBYQYNK-ZDUSSCGKSA-N 0 3 268.335 3.890 20 30 CHEDHN C=C(C)[C@H](NCC[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000190009668 333201563 /nfs/dbraw/zinc/20/15/63/333201563.db2.gz QJBMQINNSIRDAU-BBRMVZONSA-N 0 3 281.346 3.741 20 30 CHEDHN Cc1ccccc1[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000192147198 333230879 /nfs/dbraw/zinc/23/08/79/333230879.db2.gz QVLKFEYYOGOSRH-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN C=CCCCCCN1CCN(C)CC12CCCCC2 ZINC000193372194 333248930 /nfs/dbraw/zinc/24/89/30/333248930.db2.gz RMMLFRLTBJFACQ-UHFFFAOYSA-N 0 3 264.457 3.683 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000522977111 333302725 /nfs/dbraw/zinc/30/27/25/333302725.db2.gz WWAAHDQVAIAIKY-XHDPSFHLSA-N 0 3 290.794 3.847 20 30 CHEDHN C=CCCOCCNCc1cc(Cl)cc(Cl)c1 ZINC000229879423 333310581 /nfs/dbraw/zinc/31/05/81/333310581.db2.gz UJUZVVLJJIHMCW-UHFFFAOYSA-N 0 3 274.191 3.676 20 30 CHEDHN CN(CCCCC(C)(C)C#N)Cc1ccccc1F ZINC000234272705 333359322 /nfs/dbraw/zinc/35/93/22/333359322.db2.gz MGJOJGBULKHRSK-UHFFFAOYSA-N 0 3 262.372 3.978 20 30 CHEDHN N#Cc1cc(CN2CCC[C@H]3CCCC[C@H]32)ccc1F ZINC000236264281 333373452 /nfs/dbraw/zinc/37/34/52/333373452.db2.gz XLFLWWGPJWKZSO-RHSMWYFYSA-N 0 3 272.367 3.852 20 30 CHEDHN CC#CCN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000525119544 333399152 /nfs/dbraw/zinc/39/91/52/333399152.db2.gz NENRYJHBCJPYAF-LLVKDONJSA-N 0 3 255.283 3.722 20 30 CHEDHN CC(C)(C#N)CCN1CCC(Oc2cccc(F)c2)CC1 ZINC000528572008 333446608 /nfs/dbraw/zinc/44/66/08/333446608.db2.gz OWTWRETVWDSYAI-UHFFFAOYSA-N 0 3 290.382 3.609 20 30 CHEDHN N#Cc1ccc(CNCCSc2ccc(Cl)cc2)o1 ZINC000174246494 335151175 /nfs/dbraw/zinc/15/11/75/335151175.db2.gz CBEYXZVJQSFEPW-UHFFFAOYSA-N 0 3 292.791 3.687 20 30 CHEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3)CCCC2)o1 ZINC000174274201 335151906 /nfs/dbraw/zinc/15/19/06/335151906.db2.gz VJRGGRZWSYQTQP-UHFFFAOYSA-N 0 3 298.361 3.892 20 30 CHEDHN CC(C)(Cc1ccccc1Cl)NCc1ccc(C#N)o1 ZINC000174358555 335153236 /nfs/dbraw/zinc/15/32/36/335153236.db2.gz RWVZPAXFDGTZQN-UHFFFAOYSA-N 0 3 288.778 3.916 20 30 CHEDHN C=CCCOCCN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540317498 333725189 /nfs/dbraw/zinc/72/51/89/333725189.db2.gz SYKYZBGEZTVGAR-KRWDZBQOSA-N 0 3 277.383 3.768 20 30 CHEDHN C[C@H]1C[C@H]1c1ccc(CN2CCC(CC#N)CC2)o1 ZINC000542851738 333845321 /nfs/dbraw/zinc/84/53/21/333845321.db2.gz ZCZJRHVPCTVBJR-SWLSCSKDSA-N 0 3 258.365 3.529 20 30 CHEDHN CC#CCCN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000546611592 334040071 /nfs/dbraw/zinc/04/00/71/334040071.db2.gz DTARFPFLUCPYQL-UHFFFAOYSA-N 0 3 283.415 3.612 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000546654543 334043831 /nfs/dbraw/zinc/04/38/31/334043831.db2.gz GRRASASCBPIFMB-DFBGVHRSSA-N 0 3 262.784 3.725 20 30 CHEDHN Cc1ccc2[nH]c(CN3CCC(CC#N)CC3)cc2c1C ZINC000547449035 334089561 /nfs/dbraw/zinc/08/95/61/334089561.db2.gz PXKFDYKOWORQIL-UHFFFAOYSA-N 0 3 281.403 3.910 20 30 CHEDHN CCSCC[C@@H](C)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000135204064 334119573 /nfs/dbraw/zinc/11/95/73/334119573.db2.gz SBCYRDCYWURRJA-CYBMUJFWSA-N 0 3 292.448 3.530 20 30 CHEDHN C=CCN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000136106303 334146737 /nfs/dbraw/zinc/14/67/37/334146737.db2.gz GRPOBBPKDVLVKS-UHFFFAOYSA-N 0 3 264.372 3.899 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000136959384 334166084 /nfs/dbraw/zinc/16/60/84/334166084.db2.gz BNCHJAROONREOX-ZACQAIPSSA-N 0 3 256.393 3.680 20 30 CHEDHN C=C(C)CN(Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000548944641 334180921 /nfs/dbraw/zinc/18/09/21/334180921.db2.gz DYYVMJKSQHSSSD-CQSZACIVSA-N 0 3 289.419 3.880 20 30 CHEDHN C=CCOCCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000549367128 334191577 /nfs/dbraw/zinc/19/15/77/334191577.db2.gz ZGCPFFXGHFAUHB-OAHLLOKOSA-N 0 3 279.811 3.550 20 30 CHEDHN C=CCOCCNC1(c2ccc(Cl)cc2)CCC1 ZINC000549526947 334196310 /nfs/dbraw/zinc/19/63/10/334196310.db2.gz FVOUYICYJGEMHO-UHFFFAOYSA-N 0 3 265.784 3.511 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CCC(OCC3CCCCC3)CC2)C1 ZINC000549860620 334207246 /nfs/dbraw/zinc/20/72/46/334207246.db2.gz PGEMPARJRZZDHV-IAGOWNOFSA-N 0 3 290.451 3.740 20 30 CHEDHN C=CCOCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000549929663 334209490 /nfs/dbraw/zinc/20/94/90/334209490.db2.gz KPKRQYRAKKJCEK-UHOFOFEASA-N 0 3 279.811 3.829 20 30 CHEDHN C=CCOc1ccc(CNC(C)(C)COCC)cc1Cl ZINC000550256165 334217843 /nfs/dbraw/zinc/21/78/43/334217843.db2.gz ACDCSUWHMRKPIZ-UHFFFAOYSA-N 0 3 297.826 3.810 20 30 CHEDHN Cc1ccccc1C(C)(C)NCc1cc(C#N)cs1 ZINC000550263298 334218020 /nfs/dbraw/zinc/21/80/20/334218020.db2.gz WUBNNXDCNCUUJM-UHFFFAOYSA-N 0 3 270.401 3.953 20 30 CHEDHN C=CCCCCCN(C)Cc1c(C)nc2sccn12 ZINC000552076237 334286574 /nfs/dbraw/zinc/28/65/74/334286574.db2.gz BKPOGOZAPGVNNV-UHFFFAOYSA-N 0 3 277.437 3.882 20 30 CHEDHN CC1(C)CN(Cc2ccc(C#N)s2)[C@H]2CCC[C@@H]21 ZINC000552139686 334294488 /nfs/dbraw/zinc/29/44/88/334294488.db2.gz RVXHQUJQCCDFNG-KBPBESRZSA-N 0 3 260.406 3.630 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000248598232 334307595 /nfs/dbraw/zinc/30/75/95/334307595.db2.gz IONXGGMULMBIBI-TXCZRRACSA-N 0 3 256.393 3.708 20 30 CHEDHN CC[C@H]1CC[C@H](NCc2ccc(C#N)cc2F)CC1 ZINC000552292302 334313870 /nfs/dbraw/zinc/31/38/70/334313870.db2.gz MOGGZDMPMGAPPT-NNUKFRKNSA-N 0 3 260.356 3.756 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCc3c2cccc3Cl)C1 ZINC000248998803 334324475 /nfs/dbraw/zinc/32/44/75/334324475.db2.gz PWJSQSYDRLSJRB-WQGACYEGSA-N 0 3 274.795 3.999 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249968584 334342310 /nfs/dbraw/zinc/34/23/10/334342310.db2.gz XHWKLLKMHUDTFI-GVDBMIGSSA-N 0 3 256.393 3.680 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc2c(c1)CCC2 ZINC000553668830 334395010 /nfs/dbraw/zinc/39/50/10/334395010.db2.gz WBSJKSCAVSASPY-GFCCVEGCSA-N 0 3 282.412 3.959 20 30 CHEDHN COCC(C)(C)CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000554373968 334426111 /nfs/dbraw/zinc/42/61/11/334426111.db2.gz LUZMIVHFOPHETO-CYBMUJFWSA-N 0 3 292.398 3.801 20 30 CHEDHN CC(C)(CCC#N)CN1Cc2ccccc2OC(C)(C)C1 ZINC000576385806 335196728 /nfs/dbraw/zinc/19/67/28/335196728.db2.gz IJZHKPDZSOKSQJ-UHFFFAOYSA-N 0 3 286.419 3.990 20 30 CHEDHN N#CCc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 ZINC000577184808 335318581 /nfs/dbraw/zinc/31/85/81/335318581.db2.gz TVWYALUNHLVGLT-UHFFFAOYSA-N 0 3 296.336 3.917 20 30 CHEDHN CC1CCN(CCNc2cccc(C(F)F)c2C#N)CC1 ZINC000577329795 335339290 /nfs/dbraw/zinc/33/92/90/335339290.db2.gz VFJCTYIATZFROI-UHFFFAOYSA-N 0 3 293.361 3.640 20 30 CHEDHN Cc1ccc(SCCNCc2cc(C#N)cs2)cc1 ZINC000177681780 335378571 /nfs/dbraw/zinc/37/85/71/335378571.db2.gz PQOJAMHKEUTZDE-UHFFFAOYSA-N 0 3 288.441 3.810 20 30 CHEDHN N#CCCC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000578508076 335642607 /nfs/dbraw/zinc/64/26/07/335642607.db2.gz PZMBCAXZEAZJGT-RQOWECAXSA-N 0 3 272.367 3.855 20 30 CHEDHN N#CCCC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000578508075 335642673 /nfs/dbraw/zinc/64/26/73/335642673.db2.gz PZMBCAXZEAZJGT-DUXPYHPUSA-N 0 3 272.367 3.855 20 30 CHEDHN C=CCC[C@@H](C)N[C@H](COCC(C)C)c1ccco1 ZINC000184199547 335920488 /nfs/dbraw/zinc/92/04/88/335920488.db2.gz JLFYLUNAJMTOOA-HUUCEWRRSA-N 0 3 265.397 3.938 20 30 CHEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000184283881 335922339 /nfs/dbraw/zinc/92/23/39/335922339.db2.gz BZHDYERYSTZMDV-AWEZNQCLSA-N 0 3 291.778 3.627 20 30 CHEDHN C=CCC(C)(C)CNCc1nn(CC)c2ccccc12 ZINC000380689716 336017884 /nfs/dbraw/zinc/01/78/84/336017884.db2.gz FBVCYSJKOJILDY-UHFFFAOYSA-N 0 3 271.408 3.748 20 30 CHEDHN N#CC1(c2ccccn2)CCN(CCC2=CCCCC2)CC1 ZINC000581589248 336108045 /nfs/dbraw/zinc/10/80/45/336108045.db2.gz HPFFYYCYJIFANK-UHFFFAOYSA-N 0 3 295.430 3.829 20 30 CHEDHN CO[C@@](C)(CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000384296848 336123338 /nfs/dbraw/zinc/12/33/38/336123338.db2.gz GVSBZHRAQDYJAZ-BEFAXECRSA-N 0 3 294.398 3.771 20 30 CHEDHN C=CC(C)(C)CN[C@@H](C)c1cc(OC)ccc1OC ZINC000384904733 336133994 /nfs/dbraw/zinc/13/39/94/336133994.db2.gz BTPZIUWYHAPKBS-LBPRGKRZSA-N 0 3 263.381 3.567 20 30 CHEDHN C[C@H](N(C)Cc1ccc(C#N)cc1Cl)C1(C)CC1 ZINC000385669871 336153944 /nfs/dbraw/zinc/15/39/44/336153944.db2.gz AMKMJZOOTJDIMI-NSHDSACASA-N 0 3 262.784 3.832 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1CC12CCCC2 ZINC000387119422 336185666 /nfs/dbraw/zinc/18/56/66/336185666.db2.gz KCTZLLGZYXOFIP-INIZCTEOSA-N 0 3 257.377 3.674 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)CCSc1ccccc1 ZINC000582011673 336191811 /nfs/dbraw/zinc/19/18/11/336191811.db2.gz KCEFWVBXRXNWFQ-KBPBESRZSA-N 0 3 262.422 3.839 20 30 CHEDHN CC[C@@H](CC#N)NC1CCC(OC2CCCC2)CC1 ZINC000449241651 517764297 /nfs/dbraw/zinc/76/42/97/517764297.db2.gz BUCYVLTZERWDPU-HLIUYOAVSA-N 0 3 264.413 3.539 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccc(Cl)c(F)c2)C1 ZINC000449485232 518196357 /nfs/dbraw/zinc/19/63/57/518196357.db2.gz LJLYOXNHDPAVDO-VXGBXAGGSA-N 0 3 296.773 3.530 20 30 CHEDHN CCCOc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000276978159 520415313 /nfs/dbraw/zinc/41/53/13/520415313.db2.gz RWLBLESSUMEXDA-CQSZACIVSA-N 0 3 297.402 3.536 20 30 CHEDHN CCOc1cccc([C@H](C)NCc2cccc(C#N)c2)c1 ZINC000063319384 521420285 /nfs/dbraw/zinc/42/02/85/521420285.db2.gz YVVMPYADCWSQIH-AWEZNQCLSA-N 0 3 280.371 3.808 20 30 CHEDHN CC[C@@H](NCc1sc(C)nc1C)c1ccc(C#N)cc1 ZINC000278889758 522899162 /nfs/dbraw/zinc/89/91/62/522899162.db2.gz YLCSXOGJFVHCLP-OAHLLOKOSA-N 0 3 285.416 3.873 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289690424 526043952 /nfs/dbraw/zinc/04/39/52/526043952.db2.gz VTVURTGQGPXIDK-FHLIZLRMSA-N 0 3 296.414 3.653 20 30 CHEDHN Cc1ccc(C(=O)CCN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000274839945 526045072 /nfs/dbraw/zinc/04/50/72/526045072.db2.gz OGPSDUJLTAEPNK-HNNXBMFYSA-N 0 3 292.382 3.790 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cnccc1C ZINC000353451650 526314199 /nfs/dbraw/zinc/31/41/99/526314199.db2.gz TXMGYMWXJCGQKG-UHFFFAOYSA-N 0 3 266.388 3.621 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC000266203592 526625495 /nfs/dbraw/zinc/62/54/95/526625495.db2.gz MBUSWQZGLVUUBM-DLBZAZTESA-N 0 3 266.344 3.577 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000280355678 526626853 /nfs/dbraw/zinc/62/68/53/526626853.db2.gz UBTZJNUYDSDGEI-MQMHXKEQSA-N 0 3 286.762 3.840 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000280420916 526627225 /nfs/dbraw/zinc/62/72/25/526627225.db2.gz ZCRDTORBXGCVPE-ZFWWWQNUSA-N 0 3 284.334 3.716 20 30 CHEDHN C=C(CC)CN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000353285487 526851964 /nfs/dbraw/zinc/85/19/64/526851964.db2.gz YMUSRVMNQDKPSI-OAHLLOKOSA-N 0 3 275.392 3.505 20 30 CHEDHN C=CCOc1ccc(CN2CCC(C=C)CC2)cc1OC ZINC000353603629 526865921 /nfs/dbraw/zinc/86/59/21/526865921.db2.gz HJWQUXPDNIMFST-UHFFFAOYSA-N 0 3 287.403 3.658 20 30 CHEDHN CC(C)COc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000192728480 528173536 /nfs/dbraw/zinc/17/35/36/528173536.db2.gz IMBMXCQKGUUJBM-WBVHZDCISA-N 0 3 286.419 3.893 20 30 CHEDHN CC1(C#N)CCC(NC2(c3ccccc3F)CC2)CC1 ZINC000334669479 528831829 /nfs/dbraw/zinc/83/18/29/528831829.db2.gz VEBCCTAZIXBCHK-UHFFFAOYSA-N 0 3 272.367 3.877 20 30 CHEDHN CCN(C(=O)C(C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000347035115 529032104 /nfs/dbraw/zinc/03/21/04/529032104.db2.gz KFNWSKOVKZPSON-QWRGUYRKSA-N 0 3 298.308 3.775 20 30 CHEDHN CCN(C(=O)C(C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000347063839 529051666 /nfs/dbraw/zinc/05/16/66/529051666.db2.gz HTZDXPSPZPQRAR-NEPJUHHUSA-N 0 3 270.332 3.502 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(F)cc1 ZINC000353618484 529182482 /nfs/dbraw/zinc/18/24/82/529182482.db2.gz GRHRRKZUBMUNHN-QGZVFWFLSA-N 0 3 298.361 3.947 20 30 CHEDHN C#CCOc1ccccc1CN[C@H](C)c1ccccc1 ZINC000020085300 570408391 /nfs/dbraw/zinc/40/83/91/570408391.db2.gz GMRULPMKBRYYPB-OAHLLOKOSA-N 0 3 265.356 3.549 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894665 946506728 /nfs/dbraw/zinc/50/67/28/946506728.db2.gz WCHVAMXXRYOOFA-ZIAGYGMSSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894665 946506736 /nfs/dbraw/zinc/50/67/36/946506736.db2.gz WCHVAMXXRYOOFA-ZIAGYGMSSA-N 0 3 299.422 3.652 20 30 CHEDHN COc1ccc([C@@H]2CCN(Cc3ccc(C#N)s3)C2)cc1 ZINC000127291190 1125460108 /nfs/dbraw/zinc/46/01/08/1125460108.db2.gz LMTQXCOSBQNIHK-CQSZACIVSA-N 0 3 298.411 3.618 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000119361996 1117891044 /nfs/dbraw/zinc/89/10/44/1117891044.db2.gz BLAQXRWBAQEIIE-BDAKNGLRSA-N 0 3 259.271 3.652 20 30 CHEDHN C#CCCCN1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001209269781 1118023713 /nfs/dbraw/zinc/02/37/13/1118023713.db2.gz PYQKPYPFXNJZSX-CJNGLKHVSA-N 0 3 294.225 3.980 20 30 CHEDHN CCS[C@H]1CC[C@H](N(C)Cc2csc(C#N)c2)C1 ZINC000892197656 1119020304 /nfs/dbraw/zinc/02/03/04/1119020304.db2.gz UPLISMFMXTWBPF-STQMWFEESA-N 0 3 280.462 3.726 20 30 CHEDHN Cc1cccc(C(C)(C)NCc2csc(C#N)c2)c1 ZINC000921755550 1120198903 /nfs/dbraw/zinc/19/89/03/1120198903.db2.gz CICFSUYHJRWNHP-UHFFFAOYSA-N 0 3 270.401 3.953 20 30 CHEDHN C=C(C)CNCc1cc(Cl)ccc1OCC1CC1 ZINC000512395532 1121311964 /nfs/dbraw/zinc/31/19/64/1121311964.db2.gz WWOZSSWMHKXAKW-UHFFFAOYSA-N 0 3 265.784 3.795 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(F)cc(OCC)c1 ZINC001180438231 1121986674 /nfs/dbraw/zinc/98/66/74/1121986674.db2.gz WJLOEFCDHSLYNV-UHFFFAOYSA-N 0 3 251.345 3.622 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2cccc(C)c2C)n1 ZINC000041519998 1125433813 /nfs/dbraw/zinc/43/38/13/1125433813.db2.gz LUABCEJMFCLHFC-CYBMUJFWSA-N 0 3 270.357 3.558 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(C(F)(F)F)cn1 ZINC001139015522 1131572381 /nfs/dbraw/zinc/57/23/81/1131572381.db2.gz FIYFVJHTACDCPI-UHFFFAOYSA-N 0 3 272.314 3.889 20 30 CHEDHN C[C@H]1C[C@H](C)CN(Cc2cccc(C#N)c2Cl)C1 ZINC001140809938 1131933223 /nfs/dbraw/zinc/93/32/23/1131933223.db2.gz NSWCMZHMCIXFIO-RYUDHWBXSA-N 0 3 262.784 3.690 20 30 CHEDHN CCN(Cc1cccc(F)c1F)[C@H](C)CCCC#N ZINC001172509663 1132257205 /nfs/dbraw/zinc/25/72/05/1132257205.db2.gz NKJJDBVLFOZNDV-GFCCVEGCSA-N 0 3 266.335 3.869 20 30 CHEDHN CCCCCCCCCN(C)Cc1ccc(C)nn1 ZINC000840911430 1132308778 /nfs/dbraw/zinc/30/87/78/1132308778.db2.gz AMNNTRISROELHT-UHFFFAOYSA-N 0 3 263.429 3.967 20 30 CHEDHN C=CCCCCN(C)Cc1cccc(C(F)(F)F)n1 ZINC001232074107 1132418043 /nfs/dbraw/zinc/41/80/43/1132418043.db2.gz SDHJRBAOHQSDJG-UHFFFAOYSA-N 0 3 272.314 3.889 20 30 CHEDHN C[C@@H]1C[C@@H](C)CCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232115305 1132423720 /nfs/dbraw/zinc/42/37/20/1132423720.db2.gz KDTPXDASWWLPLO-NWDGAFQWSA-N 0 3 262.784 3.832 20 30 CHEDHN C=C(C)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134446694 1125518271 /nfs/dbraw/zinc/51/82/71/1125518271.db2.gz KUKMLTOPSLHNGH-JTQLQIEISA-N 0 3 290.354 3.917 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000237501944 1125565589 /nfs/dbraw/zinc/56/55/89/1125565589.db2.gz CYPKUFOPLLWXMX-SUMWQHHRSA-N 0 3 296.370 3.738 20 30 CHEDHN C#CCOc1ccc(Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC001213075418 1125646024 /nfs/dbraw/zinc/64/60/24/1125646024.db2.gz SDYNBIUDAGDWOS-UHFFFAOYSA-N 0 3 277.327 3.627 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000076738255 1125684463 /nfs/dbraw/zinc/68/44/63/1125684463.db2.gz NVBAVDANJCXLMB-CYBMUJFWSA-N 0 3 292.448 3.634 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000076735254 1125684650 /nfs/dbraw/zinc/68/46/50/1125684650.db2.gz WPDHOULVVRAKCA-ZDUSSCGKSA-N 0 3 292.448 3.634 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000886541303 1125687267 /nfs/dbraw/zinc/68/72/67/1125687267.db2.gz TYKSRQJNUBRKQQ-DYVFJYSZSA-N 0 3 266.344 3.734 20 30 CHEDHN CCn1c2ccccc2nc1[C@@H]1CCCN1CCCCC#N ZINC000084131598 1125727004 /nfs/dbraw/zinc/72/70/04/1125727004.db2.gz DGCRUNIKNMKTAX-KRWDZBQOSA-N 0 3 296.418 3.887 20 30 CHEDHN N#CC1(CN[C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000903106144 1130113610 /nfs/dbraw/zinc/11/36/10/1130113610.db2.gz MYKZJJBCZORYCX-HNNXBMFYSA-N 0 3 274.795 3.554 20 30 CHEDHN C=CCN(CCc1c(C)noc1C)Cc1ccccc1 ZINC000164636819 1129209697 /nfs/dbraw/zinc/20/96/97/1129209697.db2.gz TVHWSFQQDIXQIE-UHFFFAOYSA-N 0 3 270.376 3.522 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000151390971 1126753624 /nfs/dbraw/zinc/75/36/24/1126753624.db2.gz HRUHFTYHYLTNOO-SFHVURJKSA-N 0 3 294.423 3.678 20 30 CHEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2cccs2)C1 ZINC001204015596 1126765642 /nfs/dbraw/zinc/76/56/42/1126765642.db2.gz IAHJIVCUWMXRLI-HNNXBMFYSA-N 0 3 298.411 3.663 20 30 CHEDHN CN(CC#Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000483539638 1126793047 /nfs/dbraw/zinc/79/30/47/1126793047.db2.gz BNPDJWINKKZJID-IBGZPJMESA-N 0 3 261.368 3.657 20 30 CHEDHN Cc1ccccc1[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000483602702 1126794603 /nfs/dbraw/zinc/79/46/03/1126794603.db2.gz DCICSWGZFHLFNL-IBGZPJMESA-N 0 3 275.395 3.836 20 30 CHEDHN CC1(C)CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000484007669 1126808082 /nfs/dbraw/zinc/80/80/82/1126808082.db2.gz NVHCSTXVXCOZHP-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN N#Cc1sccc1-c1ccc(F)c(CNC2CC2)c1 ZINC000904895463 1126883688 /nfs/dbraw/zinc/88/36/88/1126883688.db2.gz PLOTZLIOBNRGET-UHFFFAOYSA-N 0 3 272.348 3.678 20 30 CHEDHN C=CCC[C@@H](C)NCc1nccn1CCc1ccccc1 ZINC000185661790 1126901340 /nfs/dbraw/zinc/90/13/40/1126901340.db2.gz YSSYJQKSLJEBCI-MRXNPFEDSA-N 0 3 283.419 3.570 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000185879628 1126904913 /nfs/dbraw/zinc/90/49/13/1126904913.db2.gz UFENXRGTXUQQKT-DUVNUKRYSA-N 0 3 288.366 3.711 20 30 CHEDHN CN(Cc1cc(C#N)cs1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906598179 1126961073 /nfs/dbraw/zinc/96/10/73/1126961073.db2.gz UEUZICHMQAAWPQ-HZPDHXFCSA-N 0 3 286.375 3.747 20 30 CHEDHN C=CCC[C@@H](N[C@@H](C)c1ccnn1C)c1ccccc1 ZINC000193034353 1126965789 /nfs/dbraw/zinc/96/57/89/1126965789.db2.gz OZMJLRXJZIVAHZ-GOEBONIOSA-N 0 3 269.392 3.778 20 30 CHEDHN CCCNc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000193155084 1126967906 /nfs/dbraw/zinc/96/79/06/1126967906.db2.gz FLBWALUZMXPLIT-UHFFFAOYSA-N 0 3 279.387 3.670 20 30 CHEDHN C=CCCCN1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000488038363 1127053644 /nfs/dbraw/zinc/05/36/44/1127053644.db2.gz ZUZNBTKEXYLJAN-UHFFFAOYSA-N 0 3 281.403 3.505 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000271460337 1127083845 /nfs/dbraw/zinc/08/38/45/1127083845.db2.gz PQYLGWYESKAOBC-ZIAGYGMSSA-N 0 3 265.360 3.674 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000348901939 1127133875 /nfs/dbraw/zinc/13/38/75/1127133875.db2.gz AWLLJHMDATWTGQ-IBGZPJMESA-N 0 3 294.398 3.984 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000349338773 1127148438 /nfs/dbraw/zinc/14/84/38/1127148438.db2.gz ATIPUEOMVCDWMW-KYOSRNDESA-N 0 3 290.794 3.836 20 30 CHEDHN C=C(Cl)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000717976907 1127169692 /nfs/dbraw/zinc/16/96/92/1127169692.db2.gz XWTJJYANSVYSPO-HUUCEWRRSA-N 0 3 279.811 3.712 20 30 CHEDHN C=CCC[C@@H](O)CN(CCC)Cc1ccc(F)cc1F ZINC001307436106 1127195335 /nfs/dbraw/zinc/19/53/35/1127195335.db2.gz NNWVHZZAODYUFR-OAHLLOKOSA-N 0 3 283.362 3.504 20 30 CHEDHN C[C@@H](CNCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000589174711 1127213474 /nfs/dbraw/zinc/21/34/74/1127213474.db2.gz WYYLLELVDQFRMM-NSHDSACASA-N 0 3 284.325 3.948 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000589342231 1127218407 /nfs/dbraw/zinc/21/84/07/1127218407.db2.gz WHSKTNVNJPKXOG-SCLBCKFNSA-N 0 3 277.371 3.600 20 30 CHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccsc1 ZINC000589344248 1127218771 /nfs/dbraw/zinc/21/87/71/1127218771.db2.gz VQDOHOFGSZQJOD-BDJLRTHQSA-N 0 3 268.385 3.958 20 30 CHEDHN C=CCC[C@@H](NC[C@](C)(O)c1ccsc1)c1ccco1 ZINC000285967145 1127249872 /nfs/dbraw/zinc/24/98/72/1127249872.db2.gz GYGNDXBXSMGZBA-ZBFHGGJFSA-N 0 3 291.416 3.846 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccncc1 ZINC000590778607 1127272365 /nfs/dbraw/zinc/27/23/65/1127272365.db2.gz DNEUWUYXIIWBLY-INIZCTEOSA-N 0 3 285.778 3.848 20 30 CHEDHN Cc1ccc(CN[C@H](CCCC#N)c2ccccc2)nc1 ZINC000353914001 1127278266 /nfs/dbraw/zinc/27/82/66/1127278266.db2.gz JTRLOVKJDFKZCO-GOSISDBHSA-N 0 3 279.387 3.915 20 30 CHEDHN N#CCCC[C@H](NCc1cccc(O)c1)c1ccccc1 ZINC000353915228 1127278271 /nfs/dbraw/zinc/27/82/71/1127278271.db2.gz MHQQUUFQNJKSMZ-SFHVURJKSA-N 0 3 280.371 3.917 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000591728608 1127315857 /nfs/dbraw/zinc/31/58/57/1127315857.db2.gz YHCMVDRRJUJURZ-BPQIPLTHSA-N 0 3 281.403 3.746 20 30 CHEDHN C[C@@H]1CCCC[C@H]1OCCN(C)Cc1ccc(C#N)cc1 ZINC000046054170 1127327387 /nfs/dbraw/zinc/32/73/87/1127327387.db2.gz BFSWONAKVSYZKF-CRAIPNDOSA-N 0 3 286.419 3.585 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1OCCN(C)Cc1ccc(C#N)cc1 ZINC000046054168 1127327920 /nfs/dbraw/zinc/32/79/20/1127327920.db2.gz BFSWONAKVSYZKF-QAPCUYQASA-N 0 3 286.419 3.585 20 30 CHEDHN CC[C@H](Cc1ccccc1)N(CC)Cc1ccncc1C#N ZINC000592074187 1127334841 /nfs/dbraw/zinc/33/48/41/1127334841.db2.gz KFWIJYCZAOKCTE-LJQANCHMSA-N 0 3 293.414 3.796 20 30 CHEDHN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2ccncc2C#N)C1 ZINC000592153361 1127339562 /nfs/dbraw/zinc/33/95/62/1127339562.db2.gz AZTJQTDKRJSDSR-WBVHZDCISA-N 0 3 283.419 3.601 20 30 CHEDHN CC(C)C[C@H](NCc1ccc(C#N)c(F)c1)c1ccncc1 ZINC000592389739 1127346156 /nfs/dbraw/zinc/34/61/56/1127346156.db2.gz DINHXYOQLWVROI-SFHVURJKSA-N 0 3 297.377 3.969 20 30 CHEDHN C=CCC[C@H](NCc1cncc(OC)c1)c1ccccc1 ZINC000290131775 1127387662 /nfs/dbraw/zinc/38/76/62/1127387662.db2.gz ZNFXHAMMIZLGIB-SFHVURJKSA-N 0 3 282.387 3.887 20 30 CHEDHN COc1ccc(CC[C@H](C)NCC2(C#N)CCCC2)cc1 ZINC000593653816 1127392800 /nfs/dbraw/zinc/39/28/00/1127392800.db2.gz ZWOSHZWHAOOKMU-HNNXBMFYSA-N 0 3 286.419 3.690 20 30 CHEDHN N#CC1(CN[C@H]2CCc3cccc(Cl)c3C2)CCCC1 ZINC000593653708 1127393466 /nfs/dbraw/zinc/39/34/66/1127393466.db2.gz IJPYHWKVMKKNJN-AWEZNQCLSA-N 0 3 288.822 3.871 20 30 CHEDHN N#C[C@H]1CC[C@@H](NC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000593721636 1127395721 /nfs/dbraw/zinc/39/57/21/1127395721.db2.gz RQEDAACYMXGHJC-SMDDNHRTSA-N 0 3 294.320 3.976 20 30 CHEDHN CC[C@H](CC#N)NCCCOc1ccc2ccccc2c1 ZINC000594009443 1127407491 /nfs/dbraw/zinc/40/74/91/1127407491.db2.gz OVUYDUYNIDTJJR-QGZVFWFLSA-N 0 3 282.387 3.891 20 30 CHEDHN C=C[C@@H](C)N[C@@H](CC)c1cc(Cl)ccc1OC ZINC000358304185 1127414129 /nfs/dbraw/zinc/41/41/29/1127414129.db2.gz RDXBOYUAJBWZCY-MFKMUULPSA-N 0 3 253.773 3.964 20 30 CHEDHN COC[C@@H](CC(C)C)N[C@@H](CCC#N)c1ccccc1 ZINC000358330503 1127415752 /nfs/dbraw/zinc/41/57/52/1127415752.db2.gz QIGDVAVKRAPQLY-SJORKVTESA-N 0 3 274.408 3.682 20 30 CHEDHN CCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000761063897 1127415884 /nfs/dbraw/zinc/41/58/84/1127415884.db2.gz CISJHPUODUATQK-LLVKDONJSA-N 0 3 268.316 3.584 20 30 CHEDHN CN(Cc1ccc(O)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606763 1127425432 /nfs/dbraw/zinc/42/54/32/1127425432.db2.gz MGYNYBDDIIVCED-UHFFFAOYSA-N 0 3 294.398 3.825 20 30 CHEDHN Cc1nc(C)c(CNCc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594929555 1127436414 /nfs/dbraw/zinc/43/64/14/1127436414.db2.gz KMTZDIKGKAPNOA-UHFFFAOYSA-N 0 3 297.427 3.605 20 30 CHEDHN Cc1ccncc1[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594936189 1127438822 /nfs/dbraw/zinc/43/88/22/1127438822.db2.gz UYENQWFEYXWEAP-OAHLLOKOSA-N 0 3 291.398 3.796 20 30 CHEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1F ZINC000594964215 1127440699 /nfs/dbraw/zinc/44/06/99/1127440699.db2.gz CBWPXGWAQKTIGR-UHFFFAOYSA-N 0 3 298.361 3.731 20 30 CHEDHN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccc(C#N)cc1F ZINC000595090730 1127453998 /nfs/dbraw/zinc/45/39/98/1127453998.db2.gz FMCLPNAXFKVOGR-TVQRCGJNSA-N 0 3 282.309 3.639 20 30 CHEDHN N#Cc1ccc(CCN2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000595478165 1127464048 /nfs/dbraw/zinc/46/40/48/1127464048.db2.gz YJGPZPZIVCDXCS-IBGZPJMESA-N 0 3 294.373 3.671 20 30 CHEDHN N#Cc1cnccc1CN[C@H]1CCCC12CCCCC2 ZINC000595602655 1127470547 /nfs/dbraw/zinc/47/05/47/1127470547.db2.gz DAJXISLHEFABAP-INIZCTEOSA-N 0 3 269.392 3.546 20 30 CHEDHN N#CC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000595616106 1127471274 /nfs/dbraw/zinc/47/12/74/1127471274.db2.gz PNGASGMPQNBUHO-ZDUSSCGKSA-N 0 3 254.333 3.558 20 30 CHEDHN CC(C)(C#N)CCCN1CC[C@H]1c1ccc(F)cc1 ZINC000595703688 1127472900 /nfs/dbraw/zinc/47/29/00/1127472900.db2.gz NJCHSZWEBWFEDI-HNNXBMFYSA-N 0 3 260.356 3.902 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000595845398 1127478093 /nfs/dbraw/zinc/47/80/93/1127478093.db2.gz NKSGWEADBKSRRS-MELADBBJSA-N 0 3 289.375 3.619 20 30 CHEDHN Cc1ccc2nccc(N3CCC[C@H](CC#N)C3)c2c1 ZINC000596327795 1127493081 /nfs/dbraw/zinc/49/30/81/1127493081.db2.gz CNSQSZGAZBAUOP-CQSZACIVSA-N 0 3 265.360 3.673 20 30 CHEDHN CC1(C)CN(CCc2ccc(C#N)cc2)[C@H]1c1ccncc1 ZINC000596595396 1127510204 /nfs/dbraw/zinc/51/02/04/1127510204.db2.gz ZDAVHUADTZIYML-SFHVURJKSA-N 0 3 291.398 3.579 20 30 CHEDHN C#Cc1cccc(CN(CC)Cc2cccc(F)c2)c1 ZINC001231661615 1127511702 /nfs/dbraw/zinc/51/17/02/1127511702.db2.gz WCYCUXNXVXXRAC-UHFFFAOYSA-N 0 3 267.347 3.829 20 30 CHEDHN C[C@@H](Cc1ccc2c(c1)CCCC2)NCC(C)(C)C#N ZINC000597082005 1127527229 /nfs/dbraw/zinc/52/72/29/1127527229.db2.gz FEPZBBDHZHKSHW-AWEZNQCLSA-N 0 3 270.420 3.636 20 30 CHEDHN CC(C)COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000597173930 1127531454 /nfs/dbraw/zinc/53/14/54/1127531454.db2.gz NWSIYFUXGNTDCG-INIZCTEOSA-N 0 3 286.419 3.847 20 30 CHEDHN C[C@H](CCC#N)CN(C)[C@H](C)c1cc(F)ccc1F ZINC000602437492 1127578704 /nfs/dbraw/zinc/57/87/04/1127578704.db2.gz AHHLNHHFBCNTJI-VXGBXAGGSA-N 0 3 266.335 3.897 20 30 CHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc2ccccc2o1 ZINC000602514033 1127589884 /nfs/dbraw/zinc/58/98/84/1127589884.db2.gz KLIKNIQVRMEXGH-CQSZACIVSA-N 0 3 298.386 3.621 20 30 CHEDHN C[C@@H](CCC#N)CNCc1csc(-c2ccccc2)n1 ZINC000602531298 1127591236 /nfs/dbraw/zinc/59/12/36/1127591236.db2.gz BWFQESKUTDBYFQ-ZDUSSCGKSA-N 0 3 285.416 3.840 20 30 CHEDHN C=CCOc1ccccc1CNCCOc1ccc(C)cc1 ZINC000060817912 1127596722 /nfs/dbraw/zinc/59/67/22/1127596722.db2.gz RYSCPCHQIMWWOX-UHFFFAOYSA-N 0 3 297.398 3.728 20 30 CHEDHN C[C@H](Cc1ccc(F)cc1Cl)NCC(C)(C)C#N ZINC000602607524 1127598199 /nfs/dbraw/zinc/59/81/99/1127598199.db2.gz MFHLLYJUSKRCGP-SNVBAGLBSA-N 0 3 268.763 3.549 20 30 CHEDHN C[C@@H](NCC1(C#N)CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000602697592 1127604937 /nfs/dbraw/zinc/60/49/37/1127604937.db2.gz BYCBXUBCXNSJEZ-PVAVHDDUSA-N 0 3 268.404 3.852 20 30 CHEDHN N#CCC1(CNC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000602865924 1127617477 /nfs/dbraw/zinc/61/74/77/1127617477.db2.gz AWGVQKVZDXVYHM-UHFFFAOYSA-N 0 3 294.320 3.978 20 30 CHEDHN C[C@H](CC#N)NCCCSc1ccccc1Cl ZINC000602861229 1127617666 /nfs/dbraw/zinc/61/76/66/1127617666.db2.gz GGAIFARSQGACGY-LLVKDONJSA-N 0 3 268.813 3.714 20 30 CHEDHN N#CCC1(CN2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000602758362 1127612721 /nfs/dbraw/zinc/61/27/21/1127612721.db2.gz GFHICANULNXEBB-OAHLLOKOSA-N 0 3 258.340 3.656 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCCc3nc(Cl)ccc32)c1 ZINC000295964881 1127658809 /nfs/dbraw/zinc/65/88/09/1127658809.db2.gz MKAPTOZCAZCMOV-HNNXBMFYSA-N 0 3 297.789 3.774 20 30 CHEDHN CCCCCCC/C=C/CN1CCC[C@]12CCN(C)C2=O ZINC001275841931 1127678574 /nfs/dbraw/zinc/67/85/74/1127678574.db2.gz FUEQGOVOQYUGJH-QZEKMECESA-N 0 3 292.467 3.600 20 30 CHEDHN C[C@@H](c1ccccc1)N1CCc2c(CC#N)cccc2C1 ZINC000599685220 1127687933 /nfs/dbraw/zinc/68/79/33/1127687933.db2.gz ALKKTKMYLRPVBD-HNNXBMFYSA-N 0 3 276.383 3.872 20 30 CHEDHN N#Cc1cccc(CNCc2cc3c(s2)CCCC3)c1 ZINC000604473804 1127706622 /nfs/dbraw/zinc/70/66/22/1127706622.db2.gz KSLZQJDNMYNHTI-UHFFFAOYSA-N 0 3 282.412 3.788 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000061758746 1127715848 /nfs/dbraw/zinc/71/58/48/1127715848.db2.gz QZULFNLXQWGZOH-UHFFFAOYSA-N 0 3 295.810 3.899 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](OC2CCC2)C1 ZINC000594026130 1127770134 /nfs/dbraw/zinc/77/01/34/1127770134.db2.gz DHRRWUWPHSJEOM-KBXCAEBGSA-N 0 3 284.403 3.653 20 30 CHEDHN N#Cc1ccc(C2(NCc3cccs3)CCC2)cc1 ZINC000594032889 1127774514 /nfs/dbraw/zinc/77/45/14/1127774514.db2.gz CJBFUOZJXRHSAY-UHFFFAOYSA-N 0 3 268.385 3.789 20 30 CHEDHN C[C@@H]1CC[C@@]2(CCN(CC#Cc3ccc(F)cc3)C2)C1 ZINC000543810820 1127792300 /nfs/dbraw/zinc/79/23/00/1127792300.db2.gz LQVCBIJICMDSTO-CRAIPNDOSA-N 0 3 271.379 3.689 20 30 CHEDHN N#CCCCCN1CCC(c2c(F)cccc2F)CC1 ZINC000372365106 1127797629 /nfs/dbraw/zinc/79/76/29/1127797629.db2.gz HXTOQIYUMRQNIW-UHFFFAOYSA-N 0 3 278.346 3.838 20 30 CHEDHN C=CCO[C@@H]1CCN(Cc2ccccc2SCC)C1 ZINC001168423256 1127813080 /nfs/dbraw/zinc/81/30/80/1127813080.db2.gz GCZGCQGPHKRZIP-OAHLLOKOSA-N 0 3 277.433 3.576 20 30 CHEDHN C[C@H](CCC#N)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000411171564 1127844436 /nfs/dbraw/zinc/84/44/36/1127844436.db2.gz IXSBPGQUYZYMEF-LLVKDONJSA-N 0 3 270.298 3.829 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000412018074 1127890901 /nfs/dbraw/zinc/89/09/01/1127890901.db2.gz ZIIBRBMTQPFIEC-KBAYOESNSA-N 0 3 296.414 3.532 20 30 CHEDHN COc1ccc(CNC(C)(C)c2cccc(C)c2)cc1C#N ZINC000174409748 1127891740 /nfs/dbraw/zinc/89/17/40/1127891740.db2.gz MHNQFSZPHQEGIK-UHFFFAOYSA-N 0 3 294.398 3.900 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C)c2ccccc2C1 ZINC000442684628 1127908453 /nfs/dbraw/zinc/90/84/53/1127908453.db2.gz XVLFSQRBNVWNQN-OAHLLOKOSA-N 0 3 291.398 3.571 20 30 CHEDHN C=CCCN(C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000467303848 1127964180 /nfs/dbraw/zinc/96/41/80/1127964180.db2.gz GWWDIOUIKWDPIZ-UHFFFAOYSA-N 0 3 256.349 3.658 20 30 CHEDHN C=CCCC[C@H](C)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000540346835 1127976053 /nfs/dbraw/zinc/97/60/53/1127976053.db2.gz SMPBQCNREYGEFD-INIZCTEOSA-N 0 3 295.430 3.975 20 30 CHEDHN Cc1ccccc1[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000540341155 1127976103 /nfs/dbraw/zinc/97/61/03/1127976103.db2.gz VCBHLRWCODTMBZ-MRXNPFEDSA-N 0 3 294.373 3.995 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN2CCC3(CCC3)C2)cc1 ZINC000468146541 1127994965 /nfs/dbraw/zinc/99/49/65/1127994965.db2.gz PSFDNDRAPAQWKR-UHFFFAOYSA-N 0 3 293.332 3.933 20 30 CHEDHN C=CCCCN(C)Cc1cn(C)nc1C1CCCCC1 ZINC000541536489 1128026562 /nfs/dbraw/zinc/02/65/62/1128026562.db2.gz WVRDCMAUBNBJNZ-UHFFFAOYSA-N 0 3 275.440 3.866 20 30 CHEDHN COc1ccc(Cl)cc1CN[C@@H](C)CC(C)(C)C#N ZINC000924838963 1128114294 /nfs/dbraw/zinc/11/42/94/1128114294.db2.gz QNBFTQOCERCLTI-NSHDSACASA-N 0 3 280.799 3.767 20 30 CHEDHN Cc1cccc2c1OCC[C@@H]2N[C@H](C)CC(C)(C)C#N ZINC000924884357 1128116324 /nfs/dbraw/zinc/11/63/24/1128116324.db2.gz CAYIUVAZTGDEKF-HIFRSBDPSA-N 0 3 272.392 3.737 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H](C)CC(C)(C)C#N ZINC000925025973 1128119516 /nfs/dbraw/zinc/11/95/16/1128119516.db2.gz BVRJSBCNKCIGLG-AWEZNQCLSA-N 0 3 272.392 3.669 20 30 CHEDHN C=CCSCCN[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000925349608 1128128328 /nfs/dbraw/zinc/12/83/28/1128128328.db2.gz BKKQOLPEIXBOGL-ZDUSSCGKSA-N 0 3 288.416 3.911 20 30 CHEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000272171270 1128136220 /nfs/dbraw/zinc/13/62/20/1128136220.db2.gz DGLHIMPGIVSGLX-CQSZACIVSA-N 0 3 262.356 3.898 20 30 CHEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccnnc1 ZINC000926478746 1128173843 /nfs/dbraw/zinc/17/38/43/1128173843.db2.gz CCYFTXAHGPGGLE-YOEHRIQHSA-N 0 3 280.375 3.562 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)C2(Cl)CC2)c1 ZINC000925412715 1128191148 /nfs/dbraw/zinc/19/11/48/1128191148.db2.gz CBLCVUPOSRWZTE-TZMCWYRMSA-N 0 3 292.810 3.617 20 30 CHEDHN C#CCSCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000226326420 1128192597 /nfs/dbraw/zinc/19/25/97/1128192597.db2.gz GWGMVZSCGXTSMU-SFHVURJKSA-N 0 3 299.414 3.871 20 30 CHEDHN C=CCOc1ccc(CN(CCF)C(C)(C)C)cc1 ZINC000761919995 1128254425 /nfs/dbraw/zinc/25/44/25/1128254425.db2.gz JVUZKTGNSQLFPK-UHFFFAOYSA-N 0 3 265.372 3.821 20 30 CHEDHN C=C(C)CN(CC)Cc1cnc(-c2ccccc2)o1 ZINC000929217009 1128264548 /nfs/dbraw/zinc/26/45/48/1128264548.db2.gz HWIPNODHIRFNJG-UHFFFAOYSA-N 0 3 256.349 3.740 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)CS1 ZINC000754145878 1128200294 /nfs/dbraw/zinc/20/02/94/1128200294.db2.gz WBBLNFBYNDIOLD-HIFRSBDPSA-N 0 3 292.423 3.707 20 30 CHEDHN C=C1CCC(CN[C@H]2CCCc3oc(C)nc32)CC1 ZINC000926924905 1128204064 /nfs/dbraw/zinc/20/40/64/1128204064.db2.gz GEAMLUYNDLHNEU-AWEZNQCLSA-N 0 3 260.381 3.696 20 30 CHEDHN CC[C@H](N[C@H](c1cnn(C)c1)C(C)C)c1ccc(C#N)cc1 ZINC000927071745 1128215620 /nfs/dbraw/zinc/21/56/20/1128215620.db2.gz UKLWWDAYMLPOQX-ROUUACIJSA-N 0 3 296.418 3.730 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc(Cl)cc2c1OCC2 ZINC000927143150 1128222632 /nfs/dbraw/zinc/22/26/32/1128222632.db2.gz YIZXBEIAQMEKIM-MJVIPROJSA-N 0 3 290.794 3.618 20 30 CHEDHN CCc1cc(CN(C)Cc2ccccc2)ccc1C#N ZINC001238766509 1131242976 /nfs/dbraw/zinc/24/29/76/1131242976.db2.gz NSHNJBABUBKMSO-UHFFFAOYSA-N 0 3 264.372 3.753 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cncc(C#N)c2)C1 ZINC000930473869 1128320976 /nfs/dbraw/zinc/32/09/76/1128320976.db2.gz DGPDQCCJXDQBIV-KSSFIOAISA-N 0 3 277.371 3.536 20 30 CHEDHN COc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000193613369 1128322581 /nfs/dbraw/zinc/32/25/81/1128322581.db2.gz RCRDAYPIYXSNMC-UHFFFAOYSA-N 0 3 292.382 3.731 20 30 CHEDHN Cc1cc(CN[C@H](CCCC#N)c2ccccc2)c(C)nn1 ZINC000930570111 1128326183 /nfs/dbraw/zinc/32/61/83/1128326183.db2.gz PVEFVPJBHHBRCN-GOSISDBHSA-N 0 3 294.402 3.618 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000930925948 1128340195 /nfs/dbraw/zinc/34/01/95/1128340195.db2.gz XLBJVJSLAVSBQR-DLBZAZTESA-N 0 3 290.451 3.884 20 30 CHEDHN COc1ccc2c(c1)CCN(CCCCC1(C#N)CCC1)C2 ZINC000931016184 1128344412 /nfs/dbraw/zinc/34/44/12/1128344412.db2.gz PIZJOWAACKIIHJ-UHFFFAOYSA-N 0 3 298.430 3.917 20 30 CHEDHN CC(C)Oc1ccccc1CN=Nc1nc2ccccc2[nH]1 ZINC000915915578 1128395155 /nfs/dbraw/zinc/39/51/55/1128395155.db2.gz DFNSYQIYRUNLQN-UHFFFAOYSA-N 0 3 294.358 3.796 20 30 CHEDHN C[C@@H](CCC#N)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932214896 1128400415 /nfs/dbraw/zinc/40/04/15/1128400415.db2.gz SCFYLLSGLNBQCQ-ZFWWWQNUSA-N 0 3 270.376 3.715 20 30 CHEDHN CC[C@@H](NCC1(CC#N)CC1)c1cc(F)ccc1OC ZINC000932468888 1128411959 /nfs/dbraw/zinc/41/19/59/1128411959.db2.gz LVCUVMYEXPNXNR-CQSZACIVSA-N 0 3 276.355 3.569 20 30 CHEDHN CN(CC[C@@H]1CC1(Cl)Cl)Cc1cc(C#N)cs1 ZINC000933770498 1128442652 /nfs/dbraw/zinc/44/26/52/1128442652.db2.gz JZBVLSCKVYAMOV-SNVBAGLBSA-N 0 3 289.231 3.635 20 30 CHEDHN CCC[C@](C)(NCc1cncc(C#N)c1)c1ccccc1 ZINC000934181042 1128453524 /nfs/dbraw/zinc/45/35/24/1128453524.db2.gz YQGUNXPDQFGUKV-SFHVURJKSA-N 0 3 279.387 3.758 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccccc1Cl ZINC000125614084 1128450914 /nfs/dbraw/zinc/45/09/14/1128450914.db2.gz LGYONWPLIKAWIC-GFCCVEGCSA-N 0 3 253.773 3.583 20 30 CHEDHN C#CCN(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000917069147 1128474821 /nfs/dbraw/zinc/47/48/21/1128474821.db2.gz MVROKVXZLLAOMC-UHFFFAOYSA-N 0 3 256.176 3.837 20 30 CHEDHN Cc1cc([C@H](C)NCc2ccc(CC#N)cc2)cs1 ZINC000567269827 1128561652 /nfs/dbraw/zinc/56/16/52/1128561652.db2.gz YZBHXZYCPLPXOT-ZDUSSCGKSA-N 0 3 270.401 3.973 20 30 CHEDHN CCCSCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000918483685 1128547688 /nfs/dbraw/zinc/54/76/88/1128547688.db2.gz ODCHFGIXMQJNEF-SNVBAGLBSA-N 0 3 290.413 3.616 20 30 CHEDHN COc1ccccc1[C@@H]1CCCCN1CCCC#N ZINC000609280921 1128553435 /nfs/dbraw/zinc/55/34/35/1128553435.db2.gz WRPCHBGTDFSVHK-HNNXBMFYSA-N 0 3 258.365 3.526 20 30 CHEDHN COc1cc(CN[C@H]2CCc3ccc(C)cc32)ccc1C#N ZINC000568699669 1128590893 /nfs/dbraw/zinc/59/08/93/1128590893.db2.gz BUMHORLXLZPJSM-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN C[C@H](CCC#N)N1CCC(c2ccccc2F)CC1 ZINC000556811685 1128626446 /nfs/dbraw/zinc/62/64/46/1128626446.db2.gz LTJWVHPZVAEJFH-CYBMUJFWSA-N 0 3 260.356 3.697 20 30 CHEDHN Cc1ccsc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748349 1128644629 /nfs/dbraw/zinc/64/46/29/1128644629.db2.gz BEJYKENAALKYSH-UHFFFAOYSA-N 0 3 276.792 3.871 20 30 CHEDHN CCCCCCC[C@H](C)NCC(=O)c1cccnc1 ZINC001258040972 1128676690 /nfs/dbraw/zinc/67/66/90/1128676690.db2.gz KUZAXNLLGWJAQN-AWEZNQCLSA-N 0 3 262.397 3.603 20 30 CHEDHN CC(=NN[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000920383859 1128679233 /nfs/dbraw/zinc/67/92/33/1128679233.db2.gz ZGNCFCFUZQJFIZ-AWEZNQCLSA-N 0 3 281.403 3.827 20 30 CHEDHN C=CCCCCN[C@H](C)c1nc2c(s1)CCC2 ZINC000578107345 1128707321 /nfs/dbraw/zinc/70/73/21/1128707321.db2.gz PNAHIGGYWSKADT-LLVKDONJSA-N 0 3 250.411 3.639 20 30 CHEDHN C[C@@H](N[C@@H]1CCCc2ncccc21)c1cccc(C#N)c1 ZINC000601267394 1128707559 /nfs/dbraw/zinc/70/75/59/1128707559.db2.gz XGEJWJNOIKLQTH-FZKQIMNGSA-N 0 3 277.371 3.681 20 30 CHEDHN CCC[C@H](NCC(C)(C)CC#N)c1cc(C)ccn1 ZINC000601281551 1128708059 /nfs/dbraw/zinc/70/80/59/1128708059.db2.gz PUTINIAWCLBAKV-AWEZNQCLSA-N 0 3 259.397 3.761 20 30 CHEDHN C=CCCCN(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000609798477 1128726041 /nfs/dbraw/zinc/72/60/41/1128726041.db2.gz HRXKKKDWAHYPBE-UHFFFAOYSA-N 0 3 260.337 3.549 20 30 CHEDHN C=CCC(C)(C)CNCc1nccn1Cc1ccccc1 ZINC000339418103 1117777496 /nfs/dbraw/zinc/77/74/96/1117777496.db2.gz XXLJRIUADWNXEJ-UHFFFAOYSA-N 0 3 283.419 3.623 20 30 CHEDHN C=CCCCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000610079886 1128738016 /nfs/dbraw/zinc/73/80/16/1128738016.db2.gz CJABOTJHGZCLJG-UHFFFAOYSA-N 0 3 262.353 3.773 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000119356116 1117891819 /nfs/dbraw/zinc/89/18/19/1117891819.db2.gz LNNBDLPXPXAESM-ZJUUUORDSA-N 0 3 269.772 3.582 20 30 CHEDHN N#Cc1ccc(F)cc1CN1CCC[C@@H]1C1CCCC1 ZINC000229958020 1117960927 /nfs/dbraw/zinc/96/09/27/1117960927.db2.gz NBNHWAKDZXDAPD-QGZVFWFLSA-N 0 3 272.367 3.852 20 30 CHEDHN C=CCCCCCCN1CCN(c2ncccc2C)CC1 ZINC001209430904 1118051916 /nfs/dbraw/zinc/05/19/16/1118051916.db2.gz DKXRNWDSCGNJPE-UHFFFAOYSA-N 0 3 287.451 3.649 20 30 CHEDHN C=CCCCCCCN1CCCC[C@H]1C(=O)NCCC ZINC001209436013 1118057134 /nfs/dbraw/zinc/05/71/34/1118057134.db2.gz MGVKCSGDWMDQTL-INIZCTEOSA-N 0 3 280.456 3.504 20 30 CHEDHN CN(CC#Cc1ccc(OC(F)(F)F)cc1)CC(C)(C)C ZINC001167291402 1118179754 /nfs/dbraw/zinc/17/97/54/1118179754.db2.gz MGAHWBGJYHYMBR-UHFFFAOYSA-N 0 3 299.336 3.915 20 30 CHEDHN CCOc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000921597072 1118204394 /nfs/dbraw/zinc/20/43/94/1118204394.db2.gz TYVHMYXPMURDJN-UHFFFAOYSA-N 0 3 294.398 3.864 20 30 CHEDHN C=CCCN(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000338543877 1118214927 /nfs/dbraw/zinc/21/49/27/1118214927.db2.gz HQVLHXQRCZMDST-UHFFFAOYSA-N 0 3 283.419 3.805 20 30 CHEDHN N#Cc1ccccc1OCCN(Cc1cccs1)C1CC1 ZINC000048554243 1118264817 /nfs/dbraw/zinc/26/48/17/1118264817.db2.gz CZMROPHZYCFUST-UHFFFAOYSA-N 0 3 298.411 3.663 20 30 CHEDHN C=CCCCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000084116428 1118279781 /nfs/dbraw/zinc/27/97/81/1118279781.db2.gz AAWKODMKAFMBAY-MRXNPFEDSA-N 0 3 269.392 3.676 20 30 CHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1 ZINC000131471529 1118290263 /nfs/dbraw/zinc/29/02/63/1118290263.db2.gz FUDJGNHABZCZRF-MLGOLLRUSA-N 0 3 298.386 3.648 20 30 CHEDHN C=C(C)CCNCc1nc2cc(Br)ccc2o1 ZINC000639227074 1118325657 /nfs/dbraw/zinc/32/56/57/1118325657.db2.gz KSDLVXYUGQRFQC-UHFFFAOYSA-N 0 3 295.180 3.646 20 30 CHEDHN C[C@@H](Nc1ccnc2ccccc21)c1cccc(C#N)c1 ZINC000610340470 1118333821 /nfs/dbraw/zinc/33/38/21/1118333821.db2.gz ZTSSRKQTIFPYDB-CYBMUJFWSA-N 0 3 273.339 3.701 20 30 CHEDHN C=CCOc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000610344622 1118338143 /nfs/dbraw/zinc/33/81/43/1118338143.db2.gz AWGLZKFLAQMBGM-OAHLLOKOSA-N 0 3 292.382 3.974 20 30 CHEDHN N#CCC1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000782194459 1118486181 /nfs/dbraw/zinc/48/61/81/1118486181.db2.gz YSOPXFFGDPGJLP-MRXNPFEDSA-N 0 3 274.795 3.953 20 30 CHEDHN N#CCC1CCN([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000782194458 1118486250 /nfs/dbraw/zinc/48/62/50/1118486250.db2.gz YSOPXFFGDPGJLP-INIZCTEOSA-N 0 3 274.795 3.953 20 30 CHEDHN C[C@@H](NCCC(C)(C)C#N)c1cc(Cl)cc2c1OCC2 ZINC000933272062 1118584791 /nfs/dbraw/zinc/58/47/91/1118584791.db2.gz GEUYZOGVIGAWPS-LLVKDONJSA-N 0 3 292.810 3.865 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1cc(Cl)cc2c1OCC2 ZINC000933272071 1118584927 /nfs/dbraw/zinc/58/49/27/1118584927.db2.gz GEUYZOGVIGAWPS-NSHDSACASA-N 0 3 292.810 3.865 20 30 CHEDHN CC(C)(C#N)CCCN1CC[C@@H]1c1cccc(F)c1 ZINC000610505646 1118590998 /nfs/dbraw/zinc/59/09/98/1118590998.db2.gz PRHITJYLCCCNMZ-OAHLLOKOSA-N 0 3 260.356 3.902 20 30 CHEDHN N#CC1(CN[C@@H]2CCCc3ccccc3C2)CCCCC1 ZINC001203156007 1118611564 /nfs/dbraw/zinc/61/15/64/1118611564.db2.gz OIBLZLQZNFHKNL-GOSISDBHSA-N 0 3 282.431 3.998 20 30 CHEDHN C[C@H](CC(C)(C)C#N)NCc1cc(Cl)cc2c1OCC2 ZINC000926155996 1118617351 /nfs/dbraw/zinc/61/73/51/1118617351.db2.gz NKJGYCLVSUZEOE-LLVKDONJSA-N 0 3 292.810 3.693 20 30 CHEDHN Cc1cscc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000335330012 1118621471 /nfs/dbraw/zinc/62/14/71/1118621471.db2.gz ASRJHQZPZIETIM-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCNc3ccccc32)s1 ZINC000335567527 1118628100 /nfs/dbraw/zinc/62/81/00/1118628100.db2.gz JEBVHSAVAZXGMM-MRXNPFEDSA-N 0 3 283.400 3.656 20 30 CHEDHN Cc1cncc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000335754512 1118645992 /nfs/dbraw/zinc/64/59/92/1118645992.db2.gz XWELXWZNFMQEHX-LJQANCHMSA-N 0 3 291.398 3.819 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000668493349 1118673869 /nfs/dbraw/zinc/67/38/69/1118673869.db2.gz MYDWLJLORMDDOD-GFCCVEGCSA-N 0 3 262.422 3.809 20 30 CHEDHN CCSCC[C@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000126819888 1118686840 /nfs/dbraw/zinc/68/68/40/1118686840.db2.gz IURTXFFOFZFJTN-ZDUSSCGKSA-N 0 3 292.448 3.530 20 30 CHEDHN CC[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000083510116 1118700515 /nfs/dbraw/zinc/70/05/15/1118700515.db2.gz CYEVFXVDOWWMAC-KRWDZBQOSA-N 0 3 268.335 3.938 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1c(F)cc(F)c(F)c1F ZINC000430743071 1118765665 /nfs/dbraw/zinc/76/56/65/1118765665.db2.gz NRWGFFRUZYTNDB-DTWKUNHWSA-N 0 3 275.289 3.933 20 30 CHEDHN C=C(C)COc1cc(CN2CC[C@H]2C2CC2)ccc1OC ZINC000449426438 1118889714 /nfs/dbraw/zinc/88/97/14/1118889714.db2.gz PXAHPQMWLWPTCX-INIZCTEOSA-N 0 3 287.403 3.634 20 30 CHEDHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000610829986 1118897903 /nfs/dbraw/zinc/89/79/03/1118897903.db2.gz VRSTZQYOGIBKMG-ORAYPTAESA-N 0 3 292.382 3.905 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000181253307 1118909085 /nfs/dbraw/zinc/90/90/85/1118909085.db2.gz QQSKNCLLLFPXJW-UHFFFAOYSA-N 0 3 294.398 3.947 20 30 CHEDHN C=CCC[C@@H](NCc1cnn2c1CCC2)c1ccccc1 ZINC000657412406 1119068468 /nfs/dbraw/zinc/06/84/68/1119068468.db2.gz FANMEPLGZNZURA-QGZVFWFLSA-N 0 3 281.403 3.626 20 30 CHEDHN C=C(C)CN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000152647497 1119098090 /nfs/dbraw/zinc/09/80/90/1119098090.db2.gz XVEQASNQJAKMFU-GFCCVEGCSA-N 0 3 250.411 3.591 20 30 CHEDHN CCN(CCc1ccccc1)Cc1ccc(C#N)cc1F ZINC000051923812 1119220673 /nfs/dbraw/zinc/22/06/73/1119220673.db2.gz CWJODZIMBFHVCC-UHFFFAOYSA-N 0 3 282.362 3.762 20 30 CHEDHN C=CCN(C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000154787399 1119317756 /nfs/dbraw/zinc/31/77/56/1119317756.db2.gz YNSSUTRLOMHAAS-UHFFFAOYSA-N 0 3 267.372 3.980 20 30 CHEDHN CC#CCCN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000157151463 1119384387 /nfs/dbraw/zinc/38/43/87/1119384387.db2.gz HUCYPOYSKSJACG-ZDUSSCGKSA-N 0 3 264.438 3.981 20 30 CHEDHN C=CCCC(C)(C)NCc1csc(C2CC2)n1 ZINC000657804698 1119429647 /nfs/dbraw/zinc/42/96/47/1119429647.db2.gz BKOAOVBQMZDRKK-UHFFFAOYSA-N 0 3 250.411 3.855 20 30 CHEDHN C[C@@H]1CCN(CCC(C)(C)C#N)[C@H](c2ccco2)C1 ZINC000131743363 1119435295 /nfs/dbraw/zinc/43/52/95/1119435295.db2.gz UPIIUHLBUIYJNF-KGLIPLIRSA-N 0 3 260.381 3.992 20 30 CHEDHN C=CC[C@H](CC)N[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000343511164 1119438360 /nfs/dbraw/zinc/43/83/60/1119438360.db2.gz SUKBYJPXFXBMEZ-ZFWWWQNUSA-N 0 3 284.407 3.581 20 30 CHEDHN C=C(C)[C@H](NC[C@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000187785581 1119512777 /nfs/dbraw/zinc/51/27/77/1119512777.db2.gz KSPALVKMGDEAPD-CJNGLKHVSA-N 0 3 281.346 3.741 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cn(C(C)C)nn1 ZINC000926590660 1119614911 /nfs/dbraw/zinc/61/49/11/1119614911.db2.gz DSARWDRMWRTHPK-RDJZCZTQSA-N 0 3 298.434 3.697 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000065959509 1119796733 /nfs/dbraw/zinc/79/67/33/1119796733.db2.gz AIQHHHSQGBFVRW-UHFFFAOYSA-N 0 3 296.370 3.826 20 30 CHEDHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCC[C@H](C#N)C2)o1 ZINC000613255193 1119892928 /nfs/dbraw/zinc/89/29/28/1119892928.db2.gz XNHKVDZPENSBBB-OSFYFWSMSA-N 0 3 258.365 3.575 20 30 CHEDHN C#CCCCNCc1cc(Cl)ccc1Br ZINC000173840900 1119917916 /nfs/dbraw/zinc/91/79/16/1119917916.db2.gz CEGVYEWPFGKZHK-UHFFFAOYSA-N 0 3 286.600 3.606 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1cnc2ccsc2c1 ZINC000414159445 1119920228 /nfs/dbraw/zinc/92/02/28/1119920228.db2.gz BJYHRYAQGWCFAV-LLVKDONJSA-N 0 3 273.405 3.887 20 30 CHEDHN CCOc1ccccc1[C@H](C)NCC(C)(C)CC#N ZINC000414166377 1119923980 /nfs/dbraw/zinc/92/39/80/1119923980.db2.gz NNBIDINTUNJZDO-ZDUSSCGKSA-N 0 3 260.381 3.676 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1nccc2ccccc21 ZINC000414171858 1119925940 /nfs/dbraw/zinc/92/59/40/1119925940.db2.gz VMJDPESGKALJIO-ZDUSSCGKSA-N 0 3 267.376 3.825 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1nccs1 ZINC000414302527 1119973178 /nfs/dbraw/zinc/97/31/78/1119973178.db2.gz MOIQIAJIHISEHU-HIFRSBDPSA-N 0 3 272.417 3.981 20 30 CHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1 ZINC000131543118 1120017583 /nfs/dbraw/zinc/01/75/83/1120017583.db2.gz SOMDYSRDURDEHZ-IUODEOHRSA-N 0 3 286.375 3.503 20 30 CHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1 ZINC000131543312 1120017720 /nfs/dbraw/zinc/01/77/20/1120017720.db2.gz SOMDYSRDURDEHZ-SWLSCSKDSA-N 0 3 286.375 3.503 20 30 CHEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC(C)(C)C#N ZINC000613540361 1120020572 /nfs/dbraw/zinc/02/05/72/1120020572.db2.gz NFBWMNMYZKPEIK-LLVKDONJSA-N 0 3 284.325 3.776 20 30 CHEDHN C=CCCCCCN(C)Cc1cnn(CC(F)(F)F)c1 ZINC000353882840 1120173909 /nfs/dbraw/zinc/17/39/09/1120173909.db2.gz RFBDNLJHECTMNW-UHFFFAOYSA-N 0 3 289.345 3.624 20 30 CHEDHN CC(C)(NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000404145569 1120175664 /nfs/dbraw/zinc/17/56/64/1120175664.db2.gz OHJYWQMEAWYDCQ-UHFFFAOYSA-N 0 3 268.335 3.722 20 30 CHEDHN CC1(C#N)CCN(CCc2ccc(Cl)cc2)CC1 ZINC000308641973 1120181133 /nfs/dbraw/zinc/18/11/33/1120181133.db2.gz FERHIXPBEJCVFM-UHFFFAOYSA-N 0 3 262.784 3.508 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)s1 ZINC000361749430 1120191793 /nfs/dbraw/zinc/19/17/93/1120191793.db2.gz DZFYPSYMXKVGRH-LLVKDONJSA-N 0 3 274.364 3.918 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccccc1C ZINC000020126343 1120195564 /nfs/dbraw/zinc/19/55/64/1120195564.db2.gz ASRGWKALRXPMBP-INIZCTEOSA-N 0 3 279.383 3.858 20 30 CHEDHN C=CC[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccncc1 ZINC000921748641 1120196239 /nfs/dbraw/zinc/19/62/39/1120196239.db2.gz YZPWKHXHBWCRQW-KDOFPFPSSA-N 0 3 294.398 3.812 20 30 CHEDHN C#CCCCCNCc1csc(Cl)c1Cl ZINC000308853494 1120215225 /nfs/dbraw/zinc/21/52/25/1120215225.db2.gz ILPCTSRWLBZKOL-UHFFFAOYSA-N 0 3 262.205 3.948 20 30 CHEDHN C[C@@H](C1CC1)N(Cc1cn2ccccc2c1C#N)C1CC1 ZINC000075683819 1120264261 /nfs/dbraw/zinc/26/42/61/1120264261.db2.gz VCMWVCIITOPHJF-ZDUSSCGKSA-N 0 3 279.387 3.574 20 30 CHEDHN Cc1ccc([C@H]2CCC[C@@H]2NCC2(C#N)CC2)cc1 ZINC000584875997 1120475498 /nfs/dbraw/zinc/47/54/98/1120475498.db2.gz LUYGCTZADQVQRM-CVEARBPZSA-N 0 3 254.377 3.525 20 30 CHEDHN CCc1cnc(CNC(C)(C)Cc2ccc(C#N)cc2)s1 ZINC000922599189 1120560978 /nfs/dbraw/zinc/56/09/78/1120560978.db2.gz FJYGVLONYRPWOW-UHFFFAOYSA-N 0 3 299.443 3.688 20 30 CHEDHN C=CC[C@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000766018203 1120655982 /nfs/dbraw/zinc/65/59/82/1120655982.db2.gz GJZAVRKZCNFXEH-KDOFPFPSSA-N 0 3 294.398 3.985 20 30 CHEDHN C=C(C)[C@@H](NCC[C@@H](C)F)c1ccc(F)c(F)c1 ZINC000509135648 1120670030 /nfs/dbraw/zinc/67/00/30/1120670030.db2.gz HSSFVZTZZGKHTB-QMTHXVAHSA-N 0 3 257.299 3.920 20 30 CHEDHN C=C(C)[C@@H](NC[C@H](OCC)C1CC1)c1ccc(F)c(F)c1 ZINC000625339251 1120670179 /nfs/dbraw/zinc/67/01/79/1120670179.db2.gz ISBLXOXNBOYCKB-DLBZAZTESA-N 0 3 295.373 3.987 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2ncccc2c1 ZINC000618742156 1128936037 /nfs/dbraw/zinc/93/60/37/1128936037.db2.gz RYSXDKMDLVPFQP-HXUWFJFHSA-N 0 3 299.377 3.884 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000661386859 1120761157 /nfs/dbraw/zinc/76/11/57/1120761157.db2.gz VLJHMDHBYSXAIH-HNNXBMFYSA-N 0 3 257.377 3.677 20 30 CHEDHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000618795244 1128939009 /nfs/dbraw/zinc/93/90/09/1128939009.db2.gz LNMCSTVUYJJXSU-FZKQIMNGSA-N 0 3 298.361 3.563 20 30 CHEDHN C=CCC1(NCc2cc(-c3ccco3)on2)CCCC1 ZINC000661851290 1120825332 /nfs/dbraw/zinc/82/53/32/1120825332.db2.gz PLSFVPAOTJYVAW-UHFFFAOYSA-N 0 3 272.348 3.913 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000662078062 1120871727 /nfs/dbraw/zinc/87/17/27/1120871727.db2.gz HFWLHFNGMIGFIS-NXHRZFHOSA-N 0 3 298.430 3.611 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccccc1OC(F)F ZINC000313491872 1120965974 /nfs/dbraw/zinc/96/59/74/1120965974.db2.gz BJLSRIRZFUBIAA-NSHDSACASA-N 0 3 255.308 3.905 20 30 CHEDHN C=CCN1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000625659542 1121049977 /nfs/dbraw/zinc/04/99/77/1121049977.db2.gz SEDXMHDTOINTCQ-UHFFFAOYSA-N 0 3 289.423 3.558 20 30 CHEDHN CCC(CC)N(CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000344024413 1121055912 /nfs/dbraw/zinc/05/59/12/1121055912.db2.gz IEGSOGKYPYCDRW-UHFFFAOYSA-N 0 3 298.390 3.619 20 30 CHEDHN C[C@@H](NC[C@@H]1COc2ccccc21)c1ccc(C#N)cc1F ZINC000344103508 1121084523 /nfs/dbraw/zinc/08/45/23/1121084523.db2.gz UIXAABNNIYYKGE-TZMCWYRMSA-N 0 3 296.345 3.524 20 30 CHEDHN Cc1cscc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000094877937 1121237561 /nfs/dbraw/zinc/23/75/61/1121237561.db2.gz FNSLZTOLRQUMNO-ZDUSSCGKSA-N 0 3 286.400 3.810 20 30 CHEDHN CCc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000174429738 1121284902 /nfs/dbraw/zinc/28/49/02/1121284902.db2.gz DZGTYGBVJDQOLC-AWEZNQCLSA-N 0 3 264.372 3.971 20 30 CHEDHN C=CCc1cccc(C[N@H+](CC)Cc2ccccn2)c1[O-] ZINC001138628415 1128977099 /nfs/dbraw/zinc/97/70/99/1128977099.db2.gz UMTUESXPHQQWFP-UHFFFAOYSA-N 0 3 282.387 3.538 20 30 CHEDHN C=CCc1cccc(C[N@@H+](CC)Cc2ccccn2)c1[O-] ZINC001138628415 1128977102 /nfs/dbraw/zinc/97/71/02/1128977102.db2.gz UMTUESXPHQQWFP-UHFFFAOYSA-N 0 3 282.387 3.538 20 30 CHEDHN C=CCc1cccc(CN(CC)Cc2ccccn2)c1O ZINC001138628415 1128977106 /nfs/dbraw/zinc/97/71/06/1128977106.db2.gz UMTUESXPHQQWFP-UHFFFAOYSA-N 0 3 282.387 3.538 20 30 CHEDHN C#Cc1cccc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506379 1121352881 /nfs/dbraw/zinc/35/28/81/1121352881.db2.gz XAIVKNBYZPYKPL-UHFFFAOYSA-N 0 3 288.394 3.870 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000619287014 1128982355 /nfs/dbraw/zinc/98/23/55/1128982355.db2.gz GYAGNNFGDIJOKM-BXUZGUMPSA-N 0 3 282.309 3.639 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(F)cc2C)cc1 ZINC000512531563 1121414182 /nfs/dbraw/zinc/41/41/82/1121414182.db2.gz HEDZRPDGKNGEEA-UHFFFAOYSA-N 0 3 285.362 3.989 20 30 CHEDHN C[C@@H](NCCCOc1ccccc1)c1ccc(C#N)cc1F ZINC000512620445 1121494100 /nfs/dbraw/zinc/49/41/00/1121494100.db2.gz QODUVQYXPPNGNS-CQSZACIVSA-N 0 3 298.361 3.817 20 30 CHEDHN C[C@@H](CNCCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000425988825 1121523940 /nfs/dbraw/zinc/52/39/40/1121523940.db2.gz PLUMICLIUKYZJD-CQSZACIVSA-N 0 3 258.409 3.666 20 30 CHEDHN C[C@@H](C#N)CNC[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000543624568 1121530196 /nfs/dbraw/zinc/53/01/96/1121530196.db2.gz ULCHFIIRCYMDDU-CABCVRRESA-N 0 3 272.436 3.912 20 30 CHEDHN C[C@@H](CNC[C@H](C)C#N)Cc1ccc(C(C)(C)C)cc1 ZINC000543624570 1121530247 /nfs/dbraw/zinc/53/02/47/1121530247.db2.gz ULCHFIIRCYMDDU-HUUCEWRRSA-N 0 3 272.436 3.912 20 30 CHEDHN C=CC[C@@H]1N(Cc2n[nH]c(C(C)(C)C)n2)CCCC1(C)C ZINC000433204525 1121616992 /nfs/dbraw/zinc/61/69/92/1121616992.db2.gz HSYXVKIRWFVSSV-ZDUSSCGKSA-N 0 3 290.455 3.669 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)CCO2 ZINC000433256505 1121629728 /nfs/dbraw/zinc/62/97/28/1121629728.db2.gz PRCUBEBAWCGLHU-AWEZNQCLSA-N 0 3 292.382 3.686 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000611300585 1121635361 /nfs/dbraw/zinc/63/53/61/1121635361.db2.gz QXSZBEZCHUXUKG-DZGCQCFKSA-N 0 3 279.387 3.982 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000611327084 1121637885 /nfs/dbraw/zinc/63/78/85/1121637885.db2.gz HNTHBBCIWFYYQA-KGLIPLIRSA-N 0 3 265.360 3.674 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000611327083 1121637953 /nfs/dbraw/zinc/63/79/53/1121637953.db2.gz HNTHBBCIWFYYQA-KBPBESRZSA-N 0 3 265.360 3.674 20 30 CHEDHN C[C@@H](NCc1ccnc(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000611376741 1121642006 /nfs/dbraw/zinc/64/20/06/1121642006.db2.gz VCZKLQWWSDPASB-CQSZACIVSA-N 0 3 291.398 3.683 20 30 CHEDHN CC[C@@H](NCc1cc(C#N)cs1)c1ccc(F)cc1 ZINC001178285260 1121776342 /nfs/dbraw/zinc/77/63/42/1121776342.db2.gz OLQKIWMYOHWRRQ-OAHLLOKOSA-N 0 3 274.364 4.000 20 30 CHEDHN C#Cc1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC001178759035 1121812615 /nfs/dbraw/zinc/81/26/15/1121812615.db2.gz RNJXDGGVNZMJDN-UHFFFAOYSA-N 0 3 273.738 3.750 20 30 CHEDHN C=C(CC)CNCc1cccc(OCC)c1OCCC ZINC001178944082 1121833566 /nfs/dbraw/zinc/83/35/66/1121833566.db2.gz CADUGDDESRDPOG-UHFFFAOYSA-N 0 3 277.408 3.930 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N)ncc1Cl ZINC000894233506 1121835880 /nfs/dbraw/zinc/83/58/80/1121835880.db2.gz CVGHQLCESNKRCF-CQSZACIVSA-N 0 3 298.777 3.678 20 30 CHEDHN C=CCN(Cc1ccc(C(F)F)c(F)c1)C1CC1 ZINC001180707224 1122009246 /nfs/dbraw/zinc/00/92/46/1122009246.db2.gz GPDWJDYYGPSNOE-UHFFFAOYSA-N 0 3 255.283 3.914 20 30 CHEDHN C=C(C)[C@@H](NC[C@H](CCC)OC)c1ccc(F)c(F)c1 ZINC001180953690 1122024822 /nfs/dbraw/zinc/02/48/22/1122024822.db2.gz SABPQFSIDLOISQ-XJKSGUPXSA-N 0 3 283.362 3.987 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCC1(C)C ZINC000773942854 1122076000 /nfs/dbraw/zinc/07/60/00/1122076000.db2.gz IBRUJSHQGXYMHO-CHWSQXEVSA-N 0 3 295.386 3.576 20 30 CHEDHN CC[C@H](CC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC000421339888 1122096006 /nfs/dbraw/zinc/09/60/06/1122096006.db2.gz HUAFAUVGQLAPPT-LLVKDONJSA-N 0 3 274.261 3.518 20 30 CHEDHN CC(C)=CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502532479 1122099610 /nfs/dbraw/zinc/09/96/10/1122099610.db2.gz VLTCKIJKMMPBTM-UHFFFAOYSA-N 0 3 252.361 3.614 20 30 CHEDHN CC#CCN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000503076886 1122166279 /nfs/dbraw/zinc/16/62/79/1122166279.db2.gz WCRHAYJMBLLPBI-UHFFFAOYSA-N 0 3 276.383 3.736 20 30 CHEDHN CCC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccccn1 ZINC000924946321 1122206160 /nfs/dbraw/zinc/20/61/60/1122206160.db2.gz NAGIFFYRDFEKDN-DZGCQCFKSA-N 0 3 259.397 3.841 20 30 CHEDHN C#CCN(Cc1ccc(OC)c(C(C)(C)C)c1)C(C)C ZINC001184115795 1122257263 /nfs/dbraw/zinc/25/72/63/1122257263.db2.gz ONKCGPXNWORRKX-UHFFFAOYSA-N 0 3 273.420 3.836 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)C[C@H]1C[C@@H]1c1ccccc1 ZINC000505264131 1122352807 /nfs/dbraw/zinc/35/28/07/1122352807.db2.gz ALABKICUUUHCPE-SJLPKXTDSA-N 0 3 294.373 3.933 20 30 CHEDHN C#CC[C@H](NCc1ccc(C)c(OC)c1)c1ccccc1 ZINC000774995344 1122381747 /nfs/dbraw/zinc/38/17/47/1122381747.db2.gz BLJTWHWYFVEPDW-SFHVURJKSA-N 0 3 279.383 3.858 20 30 CHEDHN C=CCOc1ccccc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000430099853 1122404381 /nfs/dbraw/zinc/40/43/81/1122404381.db2.gz UVMCKYPSXWKUGR-JKSUJKDBSA-N 0 3 293.357 3.729 20 30 CHEDHN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C)o1 ZINC000775411225 1122554504 /nfs/dbraw/zinc/55/45/04/1122554504.db2.gz USFHFDYIOFRQEF-GOSISDBHSA-N 0 3 280.371 3.935 20 30 CHEDHN C=CCN(Cc1ccnc(F)c1)CC1CCCCC1 ZINC001190984749 1122563315 /nfs/dbraw/zinc/56/33/15/1122563315.db2.gz LWSZIXXWQCPYBW-UHFFFAOYSA-N 0 3 262.372 3.789 20 30 CHEDHN C#CC(C)(C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000787997810 1122621147 /nfs/dbraw/zinc/62/11/47/1122621147.db2.gz RYCVQBWFKUHDRL-UHFFFAOYSA-N 0 3 255.283 3.549 20 30 CHEDHN N#CCC[C@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775554704 1122660661 /nfs/dbraw/zinc/66/06/61/1122660661.db2.gz ZLZZXHUKGOVXEX-STQMWFEESA-N 0 3 283.202 3.815 20 30 CHEDHN CCCCCCC[C@H](C)NC(=O)N[C@]1(C)CCCN(C)C1 ZINC001192949998 1122663987 /nfs/dbraw/zinc/66/39/87/1122663987.db2.gz WILJBKAMMIFQHR-DOTOQJQBSA-N 0 3 297.487 3.519 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1cc(Br)cs1 ZINC000336741672 1122731601 /nfs/dbraw/zinc/73/16/01/1122731601.db2.gz NKBOUUSMXAQLQB-VIFPVBQESA-N 0 3 299.237 3.855 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc2nonc2c1 ZINC001194051746 1122744254 /nfs/dbraw/zinc/74/42/54/1122744254.db2.gz IUMUXAZHPQJHRT-UHFFFAOYSA-N 0 3 293.370 3.801 20 30 CHEDHN CN(CC#Cc1ccccc1)CCCOCc1ccccc1 ZINC000439479919 1122784226 /nfs/dbraw/zinc/78/42/26/1122784226.db2.gz WIKKUVYDHJPROJ-UHFFFAOYSA-N 0 3 293.410 3.577 20 30 CHEDHN CCCCCCCCOC(=O)N(CC)C1CCN(C)CC1 ZINC001194740900 1122794199 /nfs/dbraw/zinc/79/41/99/1122794199.db2.gz UDZWWYWXAGBLBZ-UHFFFAOYSA-N 0 3 298.471 3.900 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1cc2cc(OC)ccc2o1 ZINC000426541417 1122816990 /nfs/dbraw/zinc/81/69/90/1122816990.db2.gz BHUNPKGUEXIWBY-AWEZNQCLSA-N 0 3 271.360 3.982 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc(OC)c(COCC)c1 ZINC000426560444 1122822265 /nfs/dbraw/zinc/82/22/65/1122822265.db2.gz QAWQJUXIJNHTGU-QGZVFWFLSA-N 0 3 289.419 3.772 20 30 CHEDHN C=C[C@H]1CCCCN1CC1=Cc2ccccc2OC1 ZINC000426562139 1122823951 /nfs/dbraw/zinc/82/39/51/1122823951.db2.gz ZRHWURCWDVPRQM-INIZCTEOSA-N 0 3 255.361 3.503 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1C ZINC000426572229 1122825071 /nfs/dbraw/zinc/82/50/71/1122825071.db2.gz ABUDYEKYCINDHL-OAHLLOKOSA-N 0 3 275.392 3.553 20 30 CHEDHN C=C[C@@H]1CCCCN1C/C=C/c1ccccc1OC ZINC000426570138 1122825087 /nfs/dbraw/zinc/82/50/87/1122825087.db2.gz IMHIWFKQIKGBAJ-XAVKZTDYSA-N 0 3 257.377 3.749 20 30 CHEDHN C=CC[NH+](CC=C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775638966 1122845328 /nfs/dbraw/zinc/84/53/28/1122845328.db2.gz QTLPYFKZXDMKJT-UHFFFAOYSA-N 0 3 251.757 3.528 20 30 CHEDHN C=CCN(CC=C)Cc1cc(Cl)cc(C)c1O ZINC000775638966 1122845329 /nfs/dbraw/zinc/84/53/29/1122845329.db2.gz QTLPYFKZXDMKJT-UHFFFAOYSA-N 0 3 251.757 3.528 20 30 CHEDHN CCN(CCCOc1cccc(C#N)c1)Cc1occc1C ZINC001195225485 1122856820 /nfs/dbraw/zinc/85/68/20/1122856820.db2.gz UQHNNOLZDGMVCA-UHFFFAOYSA-N 0 3 298.386 3.751 20 30 CHEDHN CCn1cc(CN[C@H](CCCC#N)c2ccccc2)c(C)n1 ZINC000894607560 1122880027 /nfs/dbraw/zinc/88/00/27/1122880027.db2.gz USESNSZFGNJZKF-GOSISDBHSA-N 0 3 296.418 3.736 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@@H](O)CC1CCCC1 ZINC000473744742 1122883993 /nfs/dbraw/zinc/88/39/93/1122883993.db2.gz ZTMHOYYSCKGAKM-HNNXBMFYSA-N 0 3 279.449 3.677 20 30 CHEDHN C=C(C)CCNCc1nc(-c2cccc(OC)c2)cs1 ZINC000894712824 1122895674 /nfs/dbraw/zinc/89/56/74/1122895674.db2.gz VYYMZEBRXHPSJZ-UHFFFAOYSA-N 0 3 288.416 3.875 20 30 CHEDHN CC1(C)CCN(Cc2ccncc2C#N)CC(C)(C)C1 ZINC001195995493 1122903298 /nfs/dbraw/zinc/90/32/98/1122903298.db2.gz QTEYGKLFGPLLLO-UHFFFAOYSA-N 0 3 271.408 3.601 20 30 CHEDHN C=C(Cl)CNC1CC(c2ccc(Cl)cc2)C1 ZINC000164401341 1122928535 /nfs/dbraw/zinc/92/85/35/1122928535.db2.gz CKDPDJZWKIUAPP-UHFFFAOYSA-N 0 3 256.176 3.928 20 30 CHEDHN C=C(C)CCNC1(c2c(F)cccc2F)CCC1 ZINC001196666134 1122929805 /nfs/dbraw/zinc/92/98/05/1122929805.db2.gz ALIWFRSKFWTIHD-UHFFFAOYSA-N 0 3 251.320 3.900 20 30 CHEDHN CC(C)[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000438348283 1122961446 /nfs/dbraw/zinc/96/14/46/1122961446.db2.gz RQYMAEPUHWXSME-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN CC[C@@H]1[C@H](C)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000775785141 1122968641 /nfs/dbraw/zinc/96/86/41/1122968641.db2.gz KADLTXXYHXWVPJ-IUODEOHRSA-N 0 3 292.810 3.863 20 30 CHEDHN Cc1cc([C@@H]2CCCCN2CCCCC(C)(C)C#N)[nH]n1 ZINC001198130146 1122980809 /nfs/dbraw/zinc/98/08/09/1122980809.db2.gz DXOZQWPVIGWXQI-INIZCTEOSA-N 0 3 288.439 3.965 20 30 CHEDHN Cc1cc([C@@H]2CCCCN2CCCCC(C)(C)C#N)n[nH]1 ZINC001198130146 1122980812 /nfs/dbraw/zinc/98/08/12/1122980812.db2.gz DXOZQWPVIGWXQI-INIZCTEOSA-N 0 3 288.439 3.965 20 30 CHEDHN CCCCCCCCN1CCOC[C@@H]1C[C@H]1CCCO1 ZINC001198239494 1122984979 /nfs/dbraw/zinc/98/49/79/1122984979.db2.gz DLOHKKOUXKORRH-DLBZAZTESA-N 0 3 283.456 3.617 20 30 CHEDHN C=CCC[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC001198414447 1122990829 /nfs/dbraw/zinc/99/08/29/1122990829.db2.gz RUAWZLJQTBQEAJ-OAHLLOKOSA-N 0 3 258.340 3.628 20 30 CHEDHN Cc1ccc2nccc(NCC3CCC(C#N)CC3)c2c1 ZINC000440657431 1123025236 /nfs/dbraw/zinc/02/52/36/1123025236.db2.gz DOXPURQRIDWGHW-UHFFFAOYSA-N 0 3 279.387 3.707 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188486575 1123119689 /nfs/dbraw/zinc/11/96/89/1123119689.db2.gz VJPUSILAFQLTGD-IXDOHACOSA-N 0 3 256.393 3.779 20 30 CHEDHN CCCCCCCCCCN1CC[C@](F)(CO)C1 ZINC001201852723 1123152121 /nfs/dbraw/zinc/15/21/21/1123152121.db2.gz IEESMVYIHKNXOG-OAHLLOKOSA-N 0 3 259.409 3.533 20 30 CHEDHN C#CCOc1ccc(CNCc2ccccc2C2CC2)cc1 ZINC001202465252 1123210039 /nfs/dbraw/zinc/21/00/39/1123210039.db2.gz CDNGXVLRMLODNV-UHFFFAOYSA-N 0 3 291.394 3.866 20 30 CHEDHN C=CCOCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000850531009 1123285471 /nfs/dbraw/zinc/28/54/71/1123285471.db2.gz GDHAKIREQJZOOD-LBPRGKRZSA-N 0 3 283.799 3.597 20 30 CHEDHN C=C[C@H](CO)N[C@@H](C)c1ccccc1SC(C)(C)C ZINC000850571902 1123295191 /nfs/dbraw/zinc/29/51/91/1123295191.db2.gz FDNMREPUXFGHJH-QWHCGFSZSA-N 0 3 279.449 3.775 20 30 CHEDHN Cc1c(CN[C@H]2CC[C@H](C#N)C2)oc2ccc(F)cc12 ZINC000442785398 1123337896 /nfs/dbraw/zinc/33/78/96/1123337896.db2.gz XOJRWZFNQXWFTB-AAEUAGOBSA-N 0 3 272.323 3.662 20 30 CHEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OCC2CC2)c1 ZINC000442781114 1123338038 /nfs/dbraw/zinc/33/80/38/1123338038.db2.gz LYORQDVKQBCPCA-WBVHZDCISA-N 0 3 284.403 3.566 20 30 CHEDHN CCc1ccc(CN(C)Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442824439 1123339763 /nfs/dbraw/zinc/33/97/63/1123339763.db2.gz SUUMLKZWGHVYNJ-UHFFFAOYSA-N 0 3 294.398 3.761 20 30 CHEDHN N#CCC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000335314050 1123355571 /nfs/dbraw/zinc/35/55/71/1123355571.db2.gz STTMLOUCVBGYIE-UHFFFAOYSA-N 0 3 272.323 3.698 20 30 CHEDHN CCCCCCCCCNC(=O)c1cccc2c1CNC2 ZINC000852787127 1123415976 /nfs/dbraw/zinc/41/59/76/1123415976.db2.gz PDTIUAAJDDTECB-UHFFFAOYSA-N 0 3 288.435 3.770 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1ccc(-c2ccccc2)n1 ZINC000853598728 1123444032 /nfs/dbraw/zinc/44/40/32/1123444032.db2.gz VHPBHVHRZQYFSI-CALCHBBNSA-N 0 3 279.387 3.691 20 30 CHEDHN C=CCN(C[C@@H](OC(C)C)c1ccccc1)C1CC1 ZINC000428288915 1123475212 /nfs/dbraw/zinc/47/52/12/1123475212.db2.gz IKKDXGSPBODTCO-QGZVFWFLSA-N 0 3 259.393 3.803 20 30 CHEDHN CSc1nc(CN2CCC[C@H](C)[C@H](C)C2)ccc1C#N ZINC001141932062 1123644857 /nfs/dbraw/zinc/64/48/57/1123644857.db2.gz RVTDQKKAQYNFIB-QWHCGFSZSA-N 0 3 289.448 3.543 20 30 CHEDHN CSc1nc(CN2CCC[C@H](C)[C@@H](C)C2)ccc1C#N ZINC001141932063 1123645342 /nfs/dbraw/zinc/64/53/42/1123645342.db2.gz RVTDQKKAQYNFIB-STQMWFEESA-N 0 3 289.448 3.543 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000859446128 1123698129 /nfs/dbraw/zinc/69/81/29/1123698129.db2.gz VAKOMMICIMDMQM-GFCCVEGCSA-N 0 3 297.320 3.830 20 30 CHEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)C(F)(F)F ZINC000860482187 1123734595 /nfs/dbraw/zinc/73/45/95/1123734595.db2.gz AIMWJKKFEMLQJR-RKDXNWHRSA-N 0 3 296.248 3.593 20 30 CHEDHN N#Cc1ccccc1CN1CCCC2(CCCC2)C1 ZINC000346967472 1123737949 /nfs/dbraw/zinc/73/79/49/1123737949.db2.gz DWZHIOGUCXVNTL-UHFFFAOYSA-N 0 3 254.377 3.714 20 30 CHEDHN C#CC[C@H]1CCN(Cc2ccc(Sc3ccccn3)o2)C1 ZINC000862444654 1123811939 /nfs/dbraw/zinc/81/19/39/1123811939.db2.gz FCKXPMYAPRBRTK-AWEZNQCLSA-N 0 3 298.411 3.671 20 30 CHEDHN CCOc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000192952381 1123867870 /nfs/dbraw/zinc/86/78/70/1123867870.db2.gz YMFACWYPEUBGNP-HOCLYGCPSA-N 0 3 272.392 3.566 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000159009650 1129156622 /nfs/dbraw/zinc/15/66/22/1129156622.db2.gz CZFIKEKHIOYWLO-UHFFFAOYSA-N 0 3 293.407 3.501 20 30 CHEDHN CC1(C)C[C@@H](NCC#Cc2ccc(Cl)cc2)C(C)(C)O1 ZINC000444641388 1124049748 /nfs/dbraw/zinc/04/97/48/1124049748.db2.gz UREDOWJDQRMVAO-OAHLLOKOSA-N 0 3 291.822 3.627 20 30 CHEDHN Cc1cc(CN(C)CCOc2ccc(C#N)cc2)ccc1F ZINC000444728586 1124056033 /nfs/dbraw/zinc/05/60/33/1124056033.db2.gz DWXQSWNEWLZAAW-UHFFFAOYSA-N 0 3 298.361 3.517 20 30 CHEDHN COc1cc(CNC(C)(C)c2cccs2)ccc1C#N ZINC000440823202 1124094948 /nfs/dbraw/zinc/09/49/48/1124094948.db2.gz RGVSOCKBZPPACA-UHFFFAOYSA-N 0 3 286.400 3.653 20 30 CHEDHN C[C@@]1(c2ccccc2)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000446712371 1124118697 /nfs/dbraw/zinc/11/86/97/1124118697.db2.gz QWBGABXGSLHCLQ-LJQANCHMSA-N 0 3 294.373 3.861 20 30 CHEDHN CCC(CC)(CC)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000081156880 1129177755 /nfs/dbraw/zinc/17/77/55/1129177755.db2.gz NMMFJHSLFXAQNA-UHFFFAOYSA-N 0 3 298.390 3.667 20 30 CHEDHN C[C@H](CCC#N)CN1CCc2ccc(Cl)cc2C1 ZINC001119295365 1131250189 /nfs/dbraw/zinc/25/01/89/1131250189.db2.gz BTZRFKDUIPBOTQ-GFCCVEGCSA-N 0 3 262.784 3.638 20 30 CHEDHN COc1ccccc1C1(N[C@H](C)CC(C)(C)C#N)CCC1 ZINC001119631651 1131260801 /nfs/dbraw/zinc/26/08/01/1131260801.db2.gz AUHNKDWLUPNQPQ-CQSZACIVSA-N 0 3 286.419 3.992 20 30 CHEDHN COc1cccc2c1CC[C@H]2NCc1ccc(C)c(C#N)c1 ZINC001119708978 1131263154 /nfs/dbraw/zinc/26/31/54/1131263154.db2.gz KZJJEGCDFBKGKC-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN COC[C@H](NCCCCC1(C#N)CCC1)c1ccc(C)o1 ZINC001119809537 1131263853 /nfs/dbraw/zinc/26/38/53/1131263853.db2.gz CBPQUZMXCMWXPD-HNNXBMFYSA-N 0 3 290.407 3.729 20 30 CHEDHN C[C@@H](c1ccccc1)N(C)CC#Cc1ccc(F)cc1 ZINC000448447282 1124581748 /nfs/dbraw/zinc/58/17/48/1124581748.db2.gz NMFISSUBBXXRFH-HNNXBMFYSA-N 0 3 267.347 3.870 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@H](C)c1nnc2ccccn21 ZINC000449067453 1124641973 /nfs/dbraw/zinc/64/19/73/1124641973.db2.gz LMOIIWMJIGCZEA-ZIAGYGMSSA-N 0 3 272.396 3.515 20 30 CHEDHN C#C[C@H]1CC[C@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872138892 1124694364 /nfs/dbraw/zinc/69/43/64/1124694364.db2.gz AHMNETNTNPLUNU-JHJVBQTASA-N 0 3 290.338 3.577 20 30 CHEDHN C=CCCC[C@@H](C)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528597367 1124700580 /nfs/dbraw/zinc/70/05/80/1124700580.db2.gz MHEPMCWDZWRGRE-CQSZACIVSA-N 0 3 287.451 3.877 20 30 CHEDHN CN(Cc1c[nH]c2c1cccc2F)Cc1cccc(C#N)c1 ZINC001137059187 1124711322 /nfs/dbraw/zinc/71/13/22/1124711322.db2.gz PZHHZWOSFVSSAG-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000528656747 1124732313 /nfs/dbraw/zinc/73/23/13/1124732313.db2.gz HDKXBEDMYBAPRG-LJQANCHMSA-N 0 3 291.398 3.893 20 30 CHEDHN N#Cc1ccc(/C=C/c2ccc(CN3CCCC3)cn2)cc1 ZINC001239283690 1131310411 /nfs/dbraw/zinc/31/04/11/1131310411.db2.gz DYZLWLQGURZTIJ-VQHVLOKHSA-N 0 3 289.382 3.719 20 30 CHEDHN CCC[C@H]1CCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000449735199 1124852651 /nfs/dbraw/zinc/85/26/51/1124852651.db2.gz QFZLQYYJPOXMSM-STQMWFEESA-N 0 3 277.437 3.711 20 30 CHEDHN C=C(CC)CNCc1cn(C)nc1C1CCCCC1 ZINC000449737400 1124856579 /nfs/dbraw/zinc/85/65/79/1124856579.db2.gz ZSVHSAJXTCWWAO-UHFFFAOYSA-N 0 3 261.413 3.524 20 30 CHEDHN CCCC[C@H](CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123477713 1131315050 /nfs/dbraw/zinc/31/50/50/1131315050.db2.gz WPLLWMISXIWNSU-CMPLNLGQSA-N 0 3 280.318 3.752 20 30 CHEDHN CC1=CC[C@](C)(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123476797 1131315182 /nfs/dbraw/zinc/31/51/82/1131315182.db2.gz OXJHFISLAZEWJY-LRDDRELGSA-N 0 3 290.313 3.673 20 30 CHEDHN CC(C)Oc1ccc2nccc(N3CCC(C#N)CC3)c2c1 ZINC000450287444 1124967882 /nfs/dbraw/zinc/96/78/82/1124967882.db2.gz KLGRVXAVHSEQLF-UHFFFAOYSA-N 0 3 295.386 3.762 20 30 CHEDHN CCCCC[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000876905957 1124990702 /nfs/dbraw/zinc/99/07/02/1124990702.db2.gz NQKLBWVYBVJPKD-NSHDSACASA-N 0 3 265.788 3.665 20 30 CHEDHN C[C@H](CCc1cncc2ccccc21)NCC(C)(C)C#N ZINC000877323508 1125021721 /nfs/dbraw/zinc/02/17/21/1125021721.db2.gz QNKMVGUPFWKSHW-CQSZACIVSA-N 0 3 281.403 3.695 20 30 CHEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCCCC2(F)F)c1 ZINC000877556051 1125044553 /nfs/dbraw/zinc/04/45/53/1125044553.db2.gz KEDNZWVKFKJKQV-GFCCVEGCSA-N 0 3 299.752 3.522 20 30 CHEDHN CCC1CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000877976200 1125108344 /nfs/dbraw/zinc/10/83/44/1125108344.db2.gz UCQRZOXLWCCWEL-IBGZPJMESA-N 0 3 298.430 3.549 20 30 CHEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@H](C)[C@H]1C)c1ccccc1 ZINC000878129520 1125122632 /nfs/dbraw/zinc/12/26/32/1125122632.db2.gz KJUDRQHIKMUKLO-GPMSIDNRSA-N 0 3 298.430 3.547 20 30 CHEDHN Cc1scc(CNCc2ccc(CC#N)cc2)c1C ZINC000399968283 1125133038 /nfs/dbraw/zinc/13/30/38/1125133038.db2.gz ZHJSPEPWIPWZHE-UHFFFAOYSA-N 0 3 270.401 3.721 20 30 CHEDHN C#CC[C@H](NCc1c(C)cc(C)nc1C)c1ccccc1 ZINC000878363174 1125144899 /nfs/dbraw/zinc/14/48/99/1125144899.db2.gz SVCBAHUYJQMGBQ-IBGZPJMESA-N 0 3 278.399 3.861 20 30 CHEDHN CC(=O)[C@@](C#N)(CCN(C)C1CC(C)(C)C1)c1ccccc1 ZINC000878704529 1125173059 /nfs/dbraw/zinc/17/30/59/1125173059.db2.gz WBLWSLSABPHPFO-IBGZPJMESA-N 0 3 298.430 3.547 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878886733 1125183791 /nfs/dbraw/zinc/18/37/91/1125183791.db2.gz OEPIXNNVKIPLFZ-WDSOQIARSA-N 0 3 298.430 3.922 20 30 CHEDHN C=CCC1(NCc2nc3c(o2)CCCC3)CCCCC1 ZINC000879039895 1125193930 /nfs/dbraw/zinc/19/39/30/1125193930.db2.gz QWYYWYCRFBFGCJ-UHFFFAOYSA-N 0 3 274.408 3.922 20 30 CHEDHN CC(C)(NCc1ccc(C#N)cc1Cl)[C@@H]1CCCCO1 ZINC000879407547 1125212705 /nfs/dbraw/zinc/21/27/05/1125212705.db2.gz MGMAMOLOFVHAJA-HNNXBMFYSA-N 0 3 292.810 3.649 20 30 CHEDHN CC[C@H](NCCC(C)(C)C#N)c1cccc(OC)c1OC ZINC000879466846 1125215073 /nfs/dbraw/zinc/21/50/73/1125215073.db2.gz XQUDWSHSRWMYEK-AWEZNQCLSA-N 0 3 290.407 3.684 20 30 CHEDHN C=CCCC[C@@H](NCc1c[nH]cn1)c1ccccc1 ZINC000880390377 1125272746 /nfs/dbraw/zinc/27/27/46/1125272746.db2.gz QHBVGMYUSOIFIE-MRXNPFEDSA-N 0 3 255.365 3.597 20 30 CHEDHN C=CCCC[C@@H](NCc1cnc[nH]1)c1ccccc1 ZINC000880390377 1125272750 /nfs/dbraw/zinc/27/27/50/1125272750.db2.gz QHBVGMYUSOIFIE-MRXNPFEDSA-N 0 3 255.365 3.597 20 30 CHEDHN C=CCCC[C@@H](NCc1cn(C)nc1C)c1ccccc1 ZINC000880390661 1125272800 /nfs/dbraw/zinc/27/28/00/1125272800.db2.gz SLSHDOUGENXQBQ-GOSISDBHSA-N 0 3 283.419 3.916 20 30 CHEDHN C=CCN(Cc1cccs1)Cc1cccc(C)c1O ZINC000179603177 1125286452 /nfs/dbraw/zinc/28/64/52/1125286452.db2.gz GYJQUANVJYKQKE-UHFFFAOYSA-N 0 3 273.401 3.950 20 30 CHEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cccc(C)c1O ZINC000179856403 1125286662 /nfs/dbraw/zinc/28/66/62/1125286662.db2.gz HAKCENMYOPYUBM-UHFFFAOYSA-N 0 3 292.382 3.761 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1F ZINC000050545284 1125313878 /nfs/dbraw/zinc/31/38/78/1125313878.db2.gz SWLDHHDFQVFPSF-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN C=CCC[C@H](NCc1cc(C)cc(Cl)n1)[C@@H]1CCCO1 ZINC000883221319 1125380149 /nfs/dbraw/zinc/38/01/49/1125380149.db2.gz YWKNZXYXFXFASR-GJZGRUSLSA-N 0 3 294.826 3.647 20 30 CHEDHN C=CCC[C@@H](NCc1ccc(C)nc1Cl)[C@@H]1CCCO1 ZINC000883301653 1125392163 /nfs/dbraw/zinc/39/21/63/1125392163.db2.gz GANRYBFIBGPKFN-CABCVRRESA-N 0 3 294.826 3.647 20 30 CHEDHN C=CCCC[C@@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000883326493 1125396854 /nfs/dbraw/zinc/39/68/54/1125396854.db2.gz CQYJONVECWNTNL-RHSMWYFYSA-N 0 3 297.402 3.930 20 30 CHEDHN C=CCC[C@@H](NC[C@H]1CCC2(CCC2)O1)c1ccco1 ZINC000883357988 1125401305 /nfs/dbraw/zinc/40/13/05/1125401305.db2.gz YZWWKAKMCSGIAO-HUUCEWRRSA-N 0 3 275.392 3.978 20 30 CHEDHN COc1ccc2ccccc2c1CN1CCC(C#N)CC1 ZINC000123673082 1125431989 /nfs/dbraw/zinc/43/19/89/1125431989.db2.gz UWQRRSGQRVAONC-UHFFFAOYSA-N 0 3 280.371 3.584 20 30 CHEDHN Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCCC3)n1 ZINC000041518737 1125433638 /nfs/dbraw/zinc/43/36/38/1125433638.db2.gz VESYOOIJKKKGPF-OAHLLOKOSA-N 0 3 296.395 3.820 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCCC3)n1 ZINC000041518737 1125433640 /nfs/dbraw/zinc/43/36/40/1125433640.db2.gz VESYOOIJKKKGPF-OAHLLOKOSA-N 0 3 296.395 3.820 20 30 CHEDHN Cc1csc(C(C#N)=C([O-])c2cccc(C)c2C)n1 ZINC000041519998 1125433811 /nfs/dbraw/zinc/43/38/11/1125433811.db2.gz LUABCEJMFCLHFC-CYBMUJFWSA-N 0 3 270.357 3.558 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccccc2C)cc1C#N ZINC000087822529 1129194678 /nfs/dbraw/zinc/19/46/78/1129194678.db2.gz CNKAXNWHBKRZNZ-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccc(C)cc1 ZINC000037770990 1129267484 /nfs/dbraw/zinc/26/74/84/1129267484.db2.gz OTZRQBODATUNQM-INIZCTEOSA-N 0 3 279.383 3.858 20 30 CHEDHN CCCCCCCNCc1nccn1Cc1ccccc1 ZINC000734158034 1129297241 /nfs/dbraw/zinc/29/72/41/1129297241.db2.gz HNAZTTQJVHMWLI-UHFFFAOYSA-N 0 3 285.435 3.991 20 30 CHEDHN C[C@@H]1CCC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000246599476 1129307309 /nfs/dbraw/zinc/30/73/09/1129307309.db2.gz QJUSMPXEIAFHEY-AGIUHOORSA-N 0 3 282.343 3.830 20 30 CHEDHN Cc1cccc2c1CCN([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000735670401 1129356497 /nfs/dbraw/zinc/35/64/97/1129356497.db2.gz DNVIGECFPRDORC-HNNXBMFYSA-N 0 3 276.383 3.986 20 30 CHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC3=CCCCC3)nc21 ZINC000735791606 1129357690 /nfs/dbraw/zinc/35/76/90/1129357690.db2.gz ABAYBCOFQOEXDI-AWEZNQCLSA-N 0 3 293.370 3.938 20 30 CHEDHN CCCCCCCN1CCN(Cc2csc(C)n2)CC1 ZINC000740874539 1129421771 /nfs/dbraw/zinc/42/17/71/1129421771.db2.gz NMNYOCJSGSTMDV-UHFFFAOYSA-N 0 3 295.496 3.540 20 30 CHEDHN CCCCCCCN(C)CC(=O)N(C)C1CCCCC1 ZINC000740874718 1129421966 /nfs/dbraw/zinc/42/19/66/1129421966.db2.gz DJQDAWOVIYLXFR-UHFFFAOYSA-N 0 3 282.472 3.680 20 30 CHEDHN C#CCN(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000741805768 1129454475 /nfs/dbraw/zinc/45/44/75/1129454475.db2.gz UYIAPIGCJJOWHS-HNNXBMFYSA-N 0 3 279.383 3.988 20 30 CHEDHN N#CC(C(=O)CCC(F)(F)F)c1ccc2ccccc2n1 ZINC000744014948 1129545407 /nfs/dbraw/zinc/54/54/07/1129545407.db2.gz COUMAWJJIQCDNY-LLVKDONJSA-N 0 3 292.260 3.754 20 30 CHEDHN C=CCC[C@@H](C)N[C@H](CO)c1ccc(Cl)cc1Cl ZINC001258719840 1129547655 /nfs/dbraw/zinc/54/76/55/1129547655.db2.gz KWLOZFULYSSZRT-QMTHXVAHSA-N 0 3 288.218 3.971 20 30 CHEDHN N#CC(C(=O)c1ccc(F)cc1)c1nc(C2CC2)cs1 ZINC000647371122 1129576323 /nfs/dbraw/zinc/57/63/23/1129576323.db2.gz KZMAJJHDMFBAPF-LBPRGKRZSA-N 0 3 286.331 3.650 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(C2CCCCC2)s1 ZINC000648745276 1129624460 /nfs/dbraw/zinc/62/44/60/1129624460.db2.gz AKPHRLAENJNFKL-CABCVRRESA-N 0 3 292.448 3.624 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](Cc1ccccc1)CC(C)C ZINC001169061322 1129694206 /nfs/dbraw/zinc/69/42/06/1129694206.db2.gz KFZKTQMFTHDYSB-DLBZAZTESA-N 0 3 258.409 3.926 20 30 CHEDHN C=CC[C@@H](C)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001169198308 1129706794 /nfs/dbraw/zinc/70/67/94/1129706794.db2.gz WASNJEWOCCKCTO-CYBMUJFWSA-N 0 3 296.817 3.561 20 30 CHEDHN CC(C)CCN(CCC#N)CC[C@@H]1CC1(Cl)Cl ZINC000822664230 1131392948 /nfs/dbraw/zinc/39/29/48/1131392948.db2.gz NACYXDGNKCJREL-GFCCVEGCSA-N 0 3 277.239 3.832 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cc(OC)c(C)cc1O ZINC000768441406 1129856434 /nfs/dbraw/zinc/85/64/34/1129856434.db2.gz LFUJFAQPSKIXJS-UHFFFAOYSA-N 0 3 297.398 3.897 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000769999665 1129935188 /nfs/dbraw/zinc/93/51/88/1129935188.db2.gz BFHBFMZVIRQHEU-FMKPAKJESA-N 0 3 282.387 3.715 20 30 CHEDHN CN(CCSC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000801911211 1129958410 /nfs/dbraw/zinc/95/84/10/1129958410.db2.gz VSJAHDFSJYRDPU-UHFFFAOYSA-N 0 3 262.422 3.522 20 30 CHEDHN CC[C@@H](NCc1cccs1)c1cccc(C#N)c1 ZINC000902724688 1130044891 /nfs/dbraw/zinc/04/48/91/1130044891.db2.gz GLHPNCWROIXGBG-OAHLLOKOSA-N 0 3 256.374 3.861 20 30 CHEDHN CC[C@@H](NCc1cccc(OC)c1)c1cccc(C#N)c1 ZINC000902727021 1130046676 /nfs/dbraw/zinc/04/66/76/1130046676.db2.gz WPRXGQSYQSRNIU-GOSISDBHSA-N 0 3 280.371 3.808 20 30 CHEDHN CC[C@@H](NCc1ccc(OC)c(O)c1)c1cccc(C#N)c1 ZINC000902786395 1130056563 /nfs/dbraw/zinc/05/65/63/1130056563.db2.gz NYIRQFACJIVYNQ-MRXNPFEDSA-N 0 3 296.370 3.513 20 30 CHEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)Sc1ccccc1 ZINC000902821985 1130063407 /nfs/dbraw/zinc/06/34/07/1130063407.db2.gz OIZZGPLKPBIMNY-KGLIPLIRSA-N 0 3 297.427 3.785 20 30 CHEDHN CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902966693 1130092825 /nfs/dbraw/zinc/09/28/25/1130092825.db2.gz HKOYGHZQVZDKPW-GWCFXTLKSA-N 0 3 285.313 3.581 20 30 CHEDHN CC[C@@H](NCc1cnc(C)cc1C)c1cccc(C#N)c1 ZINC000903014078 1130101162 /nfs/dbraw/zinc/10/11/62/1130101162.db2.gz NAJSMCVHRMXGOP-GOSISDBHSA-N 0 3 279.387 3.811 20 30 CHEDHN C=CCC[C@@H](NCc1cnn(C)c1)c1cccc(Cl)c1 ZINC000903076877 1130108792 /nfs/dbraw/zinc/10/87/92/1130108792.db2.gz VKUOOHNXYWQNBP-MRXNPFEDSA-N 0 3 289.810 3.871 20 30 CHEDHN N#CC1(CN[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000903107041 1130113797 /nfs/dbraw/zinc/11/37/97/1130113797.db2.gz ZNHARLDTGHNVFT-UKRRQHHQSA-N 0 3 274.795 3.869 20 30 CHEDHN C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1[O-] ZINC000787034129 1130126874 /nfs/dbraw/zinc/12/68/74/1130126874.db2.gz RVUUBKWQHQAFKI-PIGZYNQJSA-N 0 3 296.345 3.741 20 30 CHEDHN N#CCOc1ccccc1Nc1ccnc(C2CCC2)c1 ZINC001212599162 1130131174 /nfs/dbraw/zinc/13/11/74/1130131174.db2.gz GQVLIJSIZPXTJI-UHFFFAOYSA-N 0 3 279.343 3.995 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000787308786 1130145645 /nfs/dbraw/zinc/14/56/45/1130145645.db2.gz GEVNMIZCABDELK-ZBFHGGJFSA-N 0 3 270.376 3.518 20 30 CHEDHN Cc1cc(C)c([C@H](C)NCc2ccc(C#N)cc2F)c(O)c1 ZINC000788664715 1130200791 /nfs/dbraw/zinc/20/07/91/1130200791.db2.gz JXSQSMVDTZRIQO-ZDUSSCGKSA-N 0 3 298.361 3.871 20 30 CHEDHN C=CCCCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000788754564 1130206577 /nfs/dbraw/zinc/20/65/77/1130206577.db2.gz PYLUTHAXKBNIAI-CQSZACIVSA-N 0 3 265.784 3.857 20 30 CHEDHN C=CC[C@H](CC)N[C@H]1COCc2cccc(Cl)c21 ZINC000788814286 1130216115 /nfs/dbraw/zinc/21/61/15/1130216115.db2.gz KXJCFMBAXXVFRK-JSGCOSHPSA-N 0 3 265.784 3.856 20 30 CHEDHN N#C[C@H]1CC[C@H](N[C@@H](c2ccccc2F)C2CC2)C1 ZINC001254646029 1130270104 /nfs/dbraw/zinc/27/01/04/1130270104.db2.gz JDNMWVFJPBCWBE-DETPVDSQSA-N 0 3 258.340 3.559 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@H](CC)c2ccccc2)n1 ZINC000789757509 1130274408 /nfs/dbraw/zinc/27/44/08/1130274408.db2.gz ACOFWWYDUQSGJR-KRWDZBQOSA-N 0 3 295.430 3.532 20 30 CHEDHN COCC#CCN([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000677819173 1130334034 /nfs/dbraw/zinc/33/40/34/1130334034.db2.gz TWANWELMMOIBBQ-CYBMUJFWSA-N 0 3 277.795 3.515 20 30 CHEDHN N#CC(C(=O)C=Cc1cccnc1)c1nccc2ccccc21 ZINC000792102908 1130429178 /nfs/dbraw/zinc/42/91/78/1130429178.db2.gz KAVKWFUYDMZKKK-IWAYRVGRSA-N 0 3 299.333 3.519 20 30 CHEDHN N#CC(C(=O)CC1CCC1)c1nccc2ccccc21 ZINC000792107532 1130430524 /nfs/dbraw/zinc/43/05/24/1130430524.db2.gz WHKMRAUDXVVPHH-OAHLLOKOSA-N 0 3 264.328 3.601 20 30 CHEDHN N#CC(C(=O)CCC1CCC1)c1nccc2ccccc21 ZINC000792097953 1130431529 /nfs/dbraw/zinc/43/15/29/1130431529.db2.gz ZGRSEVJBPSCXBO-INIZCTEOSA-N 0 3 278.355 3.991 20 30 CHEDHN C=C[C@@H](C)NCc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000678937600 1130475192 /nfs/dbraw/zinc/47/51/92/1130475192.db2.gz POJCWSQQYCYKLS-OAHLLOKOSA-N 0 3 297.446 3.893 20 30 CHEDHN C=CCCCNc1ccc([C@H]2CCCCN2C)cn1 ZINC001170298916 1130476278 /nfs/dbraw/zinc/47/62/78/1130476278.db2.gz VHMVUMNUAOWQSA-OAHLLOKOSA-N 0 3 259.397 3.617 20 30 CHEDHN CC[C@@H](CC#N)N1CCC[C@@H](c2ccccc2)CC1 ZINC001255175949 1130551611 /nfs/dbraw/zinc/55/16/11/1130551611.db2.gz TZKVRYICECSUGD-SJORKVTESA-N 0 3 256.393 3.948 20 30 CHEDHN C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1nnc(CC)[n-]1 ZINC000793548750 1130568282 /nfs/dbraw/zinc/56/82/82/1130568282.db2.gz VERPDHJANIKVDR-OLZOCXBDSA-N 0 3 264.417 3.543 20 30 CHEDHN C#C[C@H](N[C@@H]1CCC[C@@H](OC)C1)c1ccc(Cl)cc1 ZINC000811517511 1130615369 /nfs/dbraw/zinc/61/53/69/1130615369.db2.gz UQWCWSLQLQSNJA-OAGGEKHMSA-N 0 3 277.795 3.562 20 30 CHEDHN C=C(C)CNN=C(C)c1ccc(N2CCCCC2)cc1 ZINC000811651753 1130630193 /nfs/dbraw/zinc/63/01/93/1130630193.db2.gz MKYMIQSZVIGAHP-UHFFFAOYSA-N 0 3 271.408 3.567 20 30 CHEDHN C=C[C@@H](CCC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658037 1130669319 /nfs/dbraw/zinc/66/93/19/1130669319.db2.gz RIODHMOBNHWHPY-KRWDZBQOSA-N 0 3 288.435 3.562 20 30 CHEDHN C=CCSCC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000781100041 1130701920 /nfs/dbraw/zinc/70/19/20/1130701920.db2.gz KEALKNWDGPJTJD-GHRIWEEISA-N 0 3 292.448 3.577 20 30 CHEDHN N#C[C@H]1CCCN(Cc2c[nH]c(-c3ccccc3F)c2)CC1 ZINC001235041366 1130704551 /nfs/dbraw/zinc/70/45/51/1130704551.db2.gz COKDYWGBAFNTKL-AWEZNQCLSA-N 0 3 297.377 3.946 20 30 CHEDHN C[C@@H](Cc1ccco1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000781419610 1130716314 /nfs/dbraw/zinc/71/63/14/1130716314.db2.gz AIZWFMGZVVGKAH-RYUDHWBXSA-N 0 3 272.323 3.572 20 30 CHEDHN C#C[C@@H](NCCCCOc1ccccc1)c1ccc(F)cc1 ZINC000812794143 1130718320 /nfs/dbraw/zinc/71/83/20/1130718320.db2.gz SJSKNBBOHJPJOO-LJQANCHMSA-N 0 3 297.373 3.949 20 30 CHEDHN N#CC(C(=O)CCCC1CC1)c1ccc2ccccc2n1 ZINC000813057682 1130731869 /nfs/dbraw/zinc/73/18/69/1130731869.db2.gz PAFNTRHUAWAFLT-OAHLLOKOSA-N 0 3 278.355 3.991 20 30 CHEDHN C=C(C)CN(CC)Cc1cnc(OC(C)C)cc1C ZINC001235427305 1130741907 /nfs/dbraw/zinc/74/19/07/1130741907.db2.gz FDXLSVZXPWLNRT-UHFFFAOYSA-N 0 3 262.397 3.575 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cncc(OC)c1C ZINC001235467256 1130746540 /nfs/dbraw/zinc/74/65/40/1130746540.db2.gz WQVYNDUYQRIFNW-UHFFFAOYSA-N 0 3 296.414 3.977 20 30 CHEDHN CC(C)CN(Cc1c(F)cc(C#N)cc1F)CC(C)C ZINC001235649355 1130763290 /nfs/dbraw/zinc/76/32/90/1130763290.db2.gz IXJIAFSNFZTGHS-UHFFFAOYSA-N 0 3 280.362 3.950 20 30 CHEDHN C=C(C)CN(CC)Cc1cnc(Br)c(C)c1 ZINC001235828469 1130785538 /nfs/dbraw/zinc/78/55/38/1130785538.db2.gz YUHIYELYEBWFBJ-UHFFFAOYSA-N 0 3 283.213 3.551 20 30 CHEDHN C#CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000783525198 1130834130 /nfs/dbraw/zinc/83/41/30/1130834130.db2.gz LOTQICUBKWIELG-YOEHRIQHSA-N 0 3 265.356 3.807 20 30 CHEDHN CC1(C)CC(CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000796773979 1130931195 /nfs/dbraw/zinc/93/11/95/1130931195.db2.gz BPULAYXTAYXHEE-LBPRGKRZSA-N 0 3 282.343 3.830 20 30 CHEDHN C=CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000797005491 1130952362 /nfs/dbraw/zinc/95/23/62/1130952362.db2.gz BYIPMTWGMFNKTD-AWEZNQCLSA-N 0 3 283.371 3.808 20 30 CHEDHN C=CCN(Cc1cc(Cl)cc(C)n1)C(C)(C)C ZINC001236651727 1130988859 /nfs/dbraw/zinc/98/88/59/1130988859.db2.gz MKQGDMGMZFRQBW-UHFFFAOYSA-N 0 3 252.789 3.830 20 30 CHEDHN CSC1(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)CC1 ZINC000797568547 1130994359 /nfs/dbraw/zinc/99/43/59/1130994359.db2.gz SWEJEGWGOMMFDH-VIFPVBQESA-N 0 3 294.445 3.512 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1c(F)cc(F)cc1F ZINC000815649076 1131016101 /nfs/dbraw/zinc/01/61/01/1131016101.db2.gz GXRPPTOVKVTRHI-VHSXEESVSA-N 0 3 257.299 3.794 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2cc(O)cc3ccccc32)C1 ZINC001237070029 1131046133 /nfs/dbraw/zinc/04/61/33/1131046133.db2.gz AFYMXXTXMQIESC-CQSZACIVSA-N 0 3 280.371 3.671 20 30 CHEDHN C=C(Cl)CN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000798930095 1131061408 /nfs/dbraw/zinc/06/14/08/1131061408.db2.gz JKGVWDHUHDLOPG-SNVBAGLBSA-N 0 3 277.717 3.979 20 30 CHEDHN C=CC[C@@H](CC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000798958944 1131061803 /nfs/dbraw/zinc/06/18/03/1131061803.db2.gz PURZSQLUQISUNN-CYBMUJFWSA-N 0 3 253.773 3.798 20 30 CHEDHN C=CCCC(=O)O[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000816470480 1131095852 /nfs/dbraw/zinc/09/58/52/1131095852.db2.gz NZOYILHYEISSMV-RDJZCZTQSA-N 0 3 287.403 3.549 20 30 CHEDHN C#CC1CCN(Cc2ccccc2NC(=O)C(C)(C)C)CC1 ZINC001237413334 1131096503 /nfs/dbraw/zinc/09/65/03/1131096503.db2.gz FJLQXYCBYCOYEI-UHFFFAOYSA-N 0 3 298.430 3.516 20 30 CHEDHN CC[C@@H](c1ccccc1)N(C)Cc1ccnc(C#N)c1 ZINC001237465615 1131102541 /nfs/dbraw/zinc/10/25/41/1131102541.db2.gz JBQZJEJYNDRYAG-KRWDZBQOSA-N 0 3 265.360 3.536 20 30 CHEDHN C=CCCCCN(C)Cc1cnc(C)c(Br)c1 ZINC001237559516 1131114291 /nfs/dbraw/zinc/11/42/91/1131114291.db2.gz YLQHEWMCBWLBMC-UHFFFAOYSA-N 0 3 297.240 3.941 20 30 CHEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC001116621472 1131157741 /nfs/dbraw/zinc/15/77/41/1131157741.db2.gz VUZXNOYBVWHUHW-HIFRSBDPSA-N 0 3 277.408 3.716 20 30 CHEDHN C[C@@H]1CCCCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238188389 1131177843 /nfs/dbraw/zinc/17/78/43/1131177843.db2.gz CESPJASFBUQEPR-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN COCC[C@@H]1CCCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238194626 1131179837 /nfs/dbraw/zinc/17/98/37/1131179837.db2.gz QKDFOVUEAUMIPA-HNNXBMFYSA-N 0 3 292.810 3.603 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc2ccccc2n1 ZINC000817714398 1131180525 /nfs/dbraw/zinc/18/05/25/1131180525.db2.gz SHIMMRQRFBUWCL-FPCVCCKLSA-N 0 3 290.366 3.847 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCC3)CC2 ZINC001117671242 1131191643 /nfs/dbraw/zinc/19/16/43/1131191643.db2.gz CQHNTVXFHHYJPL-FQEVSTJZSA-N 0 3 288.394 3.824 20 30 CHEDHN COc1cc(CN(C)C/C=C/c2ccccc2)ccc1C#N ZINC001238413002 1131196284 /nfs/dbraw/zinc/19/62/84/1131196284.db2.gz LCOAKYRGIIXJGJ-RMKNXTFCSA-N 0 3 292.382 3.712 20 30 CHEDHN C=CC[C@@H](NCc1cccn1C1CC1)c1ccncc1 ZINC001117784973 1131199099 /nfs/dbraw/zinc/19/90/99/1131199099.db2.gz UCOXGJYTBOKPGT-QGZVFWFLSA-N 0 3 267.376 3.625 20 30 CHEDHN Cc1c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1-c1ccccc1 ZINC000818357182 1131211792 /nfs/dbraw/zinc/21/17/92/1131211792.db2.gz WEGPRYFHTITWLN-VNQPRFMTSA-N 0 3 294.402 3.524 20 30 CHEDHN C=CCN(Cc1ccccc1C(=O)OC)C1CCCCC1 ZINC001137791546 1131417154 /nfs/dbraw/zinc/41/71/54/1131417154.db2.gz JTSQUDOINMHLDU-UHFFFAOYSA-N 0 3 287.403 3.794 20 30 CHEDHN C#CC[C@H]1CCCN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000829809819 1131434391 /nfs/dbraw/zinc/43/43/91/1131434391.db2.gz IJOYIYCTROMXOF-KBPBESRZSA-N 0 3 268.360 3.624 20 30 CHEDHN C=CC[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccncc1 ZINC000830263679 1131449548 /nfs/dbraw/zinc/44/95/48/1131449548.db2.gz HCVSRPGNBKZDPZ-SFHVURJKSA-N 0 3 296.414 3.716 20 30 CHEDHN C=C(C)CCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000824751430 1131483900 /nfs/dbraw/zinc/48/39/00/1131483900.db2.gz WLKGZUPBDWMDMK-UHFFFAOYSA-N 0 3 284.190 3.697 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cc(O)cc(O)c1 ZINC001138330127 1131492207 /nfs/dbraw/zinc/49/22/07/1131492207.db2.gz VWDQLWBABBVKIO-UHFFFAOYSA-N 0 3 283.371 3.676 20 30 CHEDHN CCOc1ccc(CN(C)Cc2cccc(C#N)c2)c(C)c1 ZINC001138437640 1131506264 /nfs/dbraw/zinc/50/62/64/1131506264.db2.gz WUTNBPQMBBTKAM-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN C#CCOc1ccc(CN(CC)Cc2ccc(F)cc2)cc1 ZINC001138557288 1131521469 /nfs/dbraw/zinc/52/14/69/1131521469.db2.gz FHTWWOULILXMRR-UHFFFAOYSA-N 0 3 297.373 3.860 20 30 CHEDHN C=CCc1cccc(C[NH+]2CCC3(CCC3)CC2)c1[O-] ZINC001138625335 1131527639 /nfs/dbraw/zinc/52/76/39/1131527639.db2.gz JMYZFDRVLASMAH-UHFFFAOYSA-N 0 3 271.404 3.887 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC(OCC)CC1 ZINC001138664785 1131533641 /nfs/dbraw/zinc/53/36/41/1131533641.db2.gz XCOKXULKJAHLHK-UHFFFAOYSA-N 0 3 289.419 3.642 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC[C@@H](C#N)CC1 ZINC001138665520 1131534069 /nfs/dbraw/zinc/53/40/69/1131534069.db2.gz ODHSCBJZQNQTOD-MRXNPFEDSA-N 0 3 284.403 3.767 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC[C@@H](OCC)C1 ZINC001138664704 1131534428 /nfs/dbraw/zinc/53/44/28/1131534428.db2.gz VPXATWDAAXKQPM-QGZVFWFLSA-N 0 3 289.419 3.642 20 30 CHEDHN C=CCOc1ccccc1CN1CCc2cccc(O)c2C1 ZINC001139030874 1131574509 /nfs/dbraw/zinc/57/45/09/1131574509.db2.gz WAMAVNFUTSGFJE-UHFFFAOYSA-N 0 3 295.382 3.515 20 30 CHEDHN C=CCOc1ccccc1CN1CC[C@@H]2CCC[C@H]2C1 ZINC001139029162 1131575176 /nfs/dbraw/zinc/57/51/76/1131575176.db2.gz QBLZGPSGZIFIOM-HOTGVXAUSA-N 0 3 271.404 3.873 20 30 CHEDHN Cc1cccc2[nH]cc(CN(C)Cc3ccc(C#N)cc3)c21 ZINC001139197413 1131594898 /nfs/dbraw/zinc/59/48/98/1131594898.db2.gz NWPAZXIBWMSELS-UHFFFAOYSA-N 0 3 289.382 3.980 20 30 CHEDHN C=CCN(CC=C)Cc1cc(C)cc(Br)c1 ZINC001144218566 1131599282 /nfs/dbraw/zinc/59/92/82/1131599282.db2.gz OMPNRIMJPRCVPA-UHFFFAOYSA-N 0 3 280.209 3.932 20 30 CHEDHN C=CCN(CC=C)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139539731 1131614806 /nfs/dbraw/zinc/61/48/06/1131614806.db2.gz QISUTKQGMJTBRF-UHFFFAOYSA-N 0 3 295.308 3.756 20 30 CHEDHN C[C@H]1CN(Cc2cc(C#N)ccc2F)CCC[C@@H]1C ZINC001139646831 1131626465 /nfs/dbraw/zinc/62/64/65/1131626465.db2.gz OQEGNOOHKLNBGX-STQMWFEESA-N 0 3 260.356 3.565 20 30 CHEDHN C[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001139646825 1131626959 /nfs/dbraw/zinc/62/69/59/1131626959.db2.gz OQEGNOOHKLNBGX-CHWSQXEVSA-N 0 3 260.356 3.565 20 30 CHEDHN CCCN(Cc1cccc(Cl)c1C#N)CC1CC1 ZINC001139689757 1131628946 /nfs/dbraw/zinc/62/89/46/1131628946.db2.gz LTGQDCZZVIBZFW-UHFFFAOYSA-N 0 3 262.784 3.834 20 30 CHEDHN N#Cc1cccc2c(CN3CCc4ccccc4C3)c[nH]c21 ZINC001139702097 1131630547 /nfs/dbraw/zinc/63/05/47/1131630547.db2.gz VVXGOQUUGJGQBA-UHFFFAOYSA-N 0 3 287.366 3.598 20 30 CHEDHN Cc1ccc(CN2CCC3(CC(F)C3)CC2)cc1C#N ZINC001139724908 1131632254 /nfs/dbraw/zinc/63/22/54/1131632254.db2.gz UXQWHHATEXPXSL-UHFFFAOYSA-N 0 3 272.367 3.581 20 30 CHEDHN Cc1ccc(CN2Cc3ccccc3[C@H](C)C2)cc1C#N ZINC001139722808 1131632338 /nfs/dbraw/zinc/63/23/38/1131632338.db2.gz HAUXSUIMHPCDDU-OAHLLOKOSA-N 0 3 276.383 3.986 20 30 CHEDHN Cc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1C#N ZINC001139724625 1131632640 /nfs/dbraw/zinc/63/26/40/1131632640.db2.gz XWIGLLDAURFHBU-IBGZPJMESA-N 0 3 292.382 3.520 20 30 CHEDHN Cc1ccc(CN2CCC(c3cccc(C#N)c3)CC2)nc1 ZINC001139838559 1131639819 /nfs/dbraw/zinc/63/98/19/1131639819.db2.gz JRHJCPRXHOAXOY-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN C=CC[N@@H+](Cc1cc(F)ccc1[O-])C1CCCCC1 ZINC001140060040 1131660383 /nfs/dbraw/zinc/66/03/83/1131660383.db2.gz HZBSFPWWFBZDAV-UHFFFAOYSA-N 0 3 263.356 3.852 20 30 CHEDHN C=CC[N@H+](Cc1cc(F)ccc1[O-])C1CCCCC1 ZINC001140060040 1131660385 /nfs/dbraw/zinc/66/03/85/1131660385.db2.gz HZBSFPWWFBZDAV-UHFFFAOYSA-N 0 3 263.356 3.852 20 30 CHEDHN C#Cc1ccc(CN2CCC[C@@H]2c2ccc(C)nc2)cc1 ZINC001144578475 1131661363 /nfs/dbraw/zinc/66/13/63/1131661363.db2.gz CPDCSUAUVRGMTM-LJQANCHMSA-N 0 3 276.383 3.708 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(Cc1cccc3cnccc31)C2 ZINC001140143126 1131667956 /nfs/dbraw/zinc/66/79/56/1131667956.db2.gz ROCHGSBMUGQESZ-UHFFFAOYSA-N 0 3 299.377 3.665 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(C(F)(F)F)CC1 ZINC001171210334 1131686446 /nfs/dbraw/zinc/68/64/46/1131686446.db2.gz SLZSVBNHNRIEFB-LBPRGKRZSA-N 0 3 296.336 3.764 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000834902418 1131725765 /nfs/dbraw/zinc/72/57/65/1131725765.db2.gz HVXOJIQUSZEBKQ-HXUWFJFHSA-N 0 3 286.378 3.707 20 30 CHEDHN N#C[C@H]1CCCN(Cc2ccccc2-c2nccs2)CC1 ZINC001140453709 1131744886 /nfs/dbraw/zinc/74/48/86/1131744886.db2.gz JAJHMVIQPBBNEF-AWEZNQCLSA-N 0 3 297.427 3.936 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2ccccc2-c2nccs2)CC1 ZINC001140453710 1131744971 /nfs/dbraw/zinc/74/49/71/1131744971.db2.gz JAJHMVIQPBBNEF-CQSZACIVSA-N 0 3 297.427 3.936 20 30 CHEDHN CC[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)nc1 ZINC001140545799 1131786883 /nfs/dbraw/zinc/78/68/83/1131786883.db2.gz LIKXQNGDDHEABH-KRWDZBQOSA-N 0 3 265.360 3.536 20 30 CHEDHN COCC[C@@H]1CCCCN1Cc1cc(C#N)ccc1Cl ZINC001140601258 1131821420 /nfs/dbraw/zinc/82/14/20/1131821420.db2.gz KKXYAYGNRQKILE-HNNXBMFYSA-N 0 3 292.810 3.603 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC001140602804 1131823820 /nfs/dbraw/zinc/82/38/20/1131823820.db2.gz PVUTUBZJOQMQFU-CZUORRHYSA-N 0 3 274.795 3.976 20 30 CHEDHN CN(C)Cc1c(O[C@@H]2CC[C@@H](C#N)C2)ccc2ccccc21 ZINC001228439684 1131882918 /nfs/dbraw/zinc/88/29/18/1131882918.db2.gz SAMJZIHDLLHBFM-GDBMZVCRSA-N 0 3 294.398 3.972 20 30 CHEDHN C=CCOCCCN1CCC(c2c(F)cccc2F)CC1 ZINC000348110129 1131883280 /nfs/dbraw/zinc/88/32/80/1131883280.db2.gz BKXQTNWQEHDMPH-UHFFFAOYSA-N 0 3 295.373 3.737 20 30 CHEDHN C[C@H](CS)Oc1ccc2ccccc2c1CN(C)C ZINC001228440438 1131885573 /nfs/dbraw/zinc/88/55/73/1131885573.db2.gz DGJDHRZXUQQJHT-GFCCVEGCSA-N 0 3 275.417 3.599 20 30 CHEDHN C=CC[C@@H](CCC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228937267 1131982373 /nfs/dbraw/zinc/98/23/73/1131982373.db2.gz XQYRTLCMEOQDKM-INIZCTEOSA-N 0 3 259.393 3.798 20 30 CHEDHN C=CCN(C)Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141117950 1132021943 /nfs/dbraw/zinc/02/19/43/1132021943.db2.gz DSTSNOITBFDAND-UHFFFAOYSA-N 0 3 256.324 3.506 20 30 CHEDHN C[C@@H](NCc1cccc(F)c1)c1ccc(OCC#N)cc1 ZINC000037246769 1132023336 /nfs/dbraw/zinc/02/33/36/1132023336.db2.gz CMINWQAPROTPRB-CYBMUJFWSA-N 0 3 284.334 3.579 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141208749 1132044596 /nfs/dbraw/zinc/04/45/96/1132044596.db2.gz JFKYELXYZPJXNA-OAHLLOKOSA-N 0 3 294.373 3.733 20 30 CHEDHN Cc1cccc2c1CC[C@H](NC1(CC#N)CCCC1)C2 ZINC001171563497 1132055408 /nfs/dbraw/zinc/05/54/08/1132055408.db2.gz JVIBRWHHFPKTAI-INIZCTEOSA-N 0 3 268.404 3.668 20 30 CHEDHN C=CCN(C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141293671 1132072422 /nfs/dbraw/zinc/07/24/22/1132072422.db2.gz GCIGHYDQNGHLQW-UHFFFAOYSA-N 0 3 278.355 3.968 20 30 CHEDHN C=CC[C@H](C)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC001171821261 1132099400 /nfs/dbraw/zinc/09/94/00/1132099400.db2.gz ZSAYXNUKXJYXLI-ZDUSSCGKSA-N 0 3 254.377 3.799 20 30 CHEDHN CN(C)Cc1ccccc1O[C@H](CC#N)c1ccccc1 ZINC001229700393 1132108020 /nfs/dbraw/zinc/10/80/20/1132108020.db2.gz AFQUKDWHZFUWBH-GOSISDBHSA-N 0 3 280.371 3.782 20 30 CHEDHN C[C@H](Oc1ccccc1CN(C)C)c1ccccc1C#N ZINC001229701968 1132108032 /nfs/dbraw/zinc/10/80/32/1132108032.db2.gz NCESOIHMTLMYEO-AWEZNQCLSA-N 0 3 280.371 3.760 20 30 CHEDHN C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001172302251 1132152020 /nfs/dbraw/zinc/15/20/20/1132152020.db2.gz HHOYNFNXGAGIKA-KBPBESRZSA-N 0 3 280.371 3.546 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN2CC3(C2)CCCCC3)cc1 ZINC000839132819 1132183148 /nfs/dbraw/zinc/18/31/48/1132183148.db2.gz RQPAQLGUCHWSRK-HNNXBMFYSA-N 0 3 284.403 3.744 20 30 CHEDHN CCCCCCC[C@H](CC)N1CCN(C(=O)CC)CC1 ZINC001172357948 1132187429 /nfs/dbraw/zinc/18/74/29/1132187429.db2.gz NLOFHGYWLPMACN-INIZCTEOSA-N 0 3 282.472 3.680 20 30 CHEDHN Cc1ccc(N2CCN([C@@H](C)CCC#N)[C@H](C)C2)cc1C ZINC000839504598 1132219196 /nfs/dbraw/zinc/21/91/96/1132219196.db2.gz LUZLBMDYGQKRSI-DLBZAZTESA-N 0 3 285.435 3.506 20 30 CHEDHN C[C@H](CCCC#N)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001172494449 1132248774 /nfs/dbraw/zinc/24/87/74/1132248774.db2.gz UXJIKQOVBKGPII-APWZRJJASA-N 0 3 293.414 3.975 20 30 CHEDHN CCCCCCCC[C@H](CC)N1C[C@H]2C[C@@H](C1)O2 ZINC001172505319 1132253724 /nfs/dbraw/zinc/25/37/24/1132253724.db2.gz LUYBCWFSRQUJNQ-HRCADAONSA-N 0 3 253.430 3.989 20 30 CHEDHN C[C@H](CCCC#N)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172506187 1132254928 /nfs/dbraw/zinc/25/49/28/1132254928.db2.gz PLRKXIYLEMKQEP-OAHLLOKOSA-N 0 3 299.393 3.765 20 30 CHEDHN N=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(F)cn1 ZINC001172541733 1132277675 /nfs/dbraw/zinc/27/76/75/1132277675.db2.gz DKBOKBGZOGUSDB-GDBMZVCRSA-N 0 3 297.377 3.652 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001231620034 1132326358 /nfs/dbraw/zinc/32/63/58/1132326358.db2.gz OWHZAZGKOUDZLC-CVEARBPZSA-N 0 3 284.403 3.579 20 30 CHEDHN Cc1ccc2c(c1)C[C@H](NC1(CC#N)CCCC1)CC2 ZINC001172839689 1132331672 /nfs/dbraw/zinc/33/16/72/1132331672.db2.gz VPZLTGOKGHYUHB-QGZVFWFLSA-N 0 3 268.404 3.668 20 30 CHEDHN C#Cc1cccc(CN2CCCc3ccc(OC)cc3C2)c1 ZINC001231660980 1132339159 /nfs/dbraw/zinc/33/91/59/1132339159.db2.gz MJADAHDQDFPHNC-UHFFFAOYSA-N 0 3 291.394 3.625 20 30 CHEDHN C[C@@H](Cc1c(F)cccc1Cl)N1CCC(S)CC1 ZINC001172855476 1132341763 /nfs/dbraw/zinc/34/17/63/1132341763.db2.gz FFQKLYNVJCMDTQ-JTQLQIEISA-N 0 3 287.831 3.804 20 30 CHEDHN CCCCCCCN(C)Cc1cnc(F)cc1C ZINC001231984585 1132406187 /nfs/dbraw/zinc/40/61/87/1132406187.db2.gz IQSNQRMVYPKRLH-UHFFFAOYSA-N 0 3 252.377 3.931 20 30 CHEDHN CC(C)(C)c1cc(CN2CCC(CC#N)CC2)ccn1 ZINC001232216831 1132436535 /nfs/dbraw/zinc/43/65/35/1132436535.db2.gz XMLDETBDTVWEKW-UHFFFAOYSA-N 0 3 271.408 3.505 20 30 CHEDHN C=CCN(Cc1ccnc(C(F)(F)F)c1)C(C)(C)C ZINC001232243500 1132443114 /nfs/dbraw/zinc/44/31/14/1132443114.db2.gz MVMANASMWHEFBL-UHFFFAOYSA-N 0 3 272.314 3.887 20 30 CHEDHN N#CCC1CCC(N2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001173331029 1132463967 /nfs/dbraw/zinc/46/39/67/1132463967.db2.gz JYJGPQCFWFMNMA-WXRRBKDZSA-N 0 3 274.330 3.528 20 30 CHEDHN CC(C)C[C@H](NCc1ccc(C#N)cc1)c1ccncc1 ZINC000842828882 1132466468 /nfs/dbraw/zinc/46/64/68/1132466468.db2.gz KNOIKJPZTYFIJV-SFHVURJKSA-N 0 3 279.387 3.830 20 30 CHEDHN N#Cc1ccc2c(CN3CCC4(CC(F)C4)CC3)c[nH]c2c1 ZINC001142915767 1132476318 /nfs/dbraw/zinc/47/63/18/1132476318.db2.gz GVYDLTHHSFCUCC-UHFFFAOYSA-N 0 3 297.377 3.754 20 30 CHEDHN Cc1cc([C@@H]2CCCN2C2CCC(C)(C#N)CC2)no1 ZINC001173591979 1132496863 /nfs/dbraw/zinc/49/68/63/1132496863.db2.gz AYRDAMCCHPKHPE-SIWZUTFBSA-N 0 3 273.380 3.592 20 30 CHEDHN CC1(C#N)CCC(NCc2nccc(Cl)c2Cl)CC1 ZINC001173590397 1132497414 /nfs/dbraw/zinc/49/74/14/1132497414.db2.gz HWOMOLAANSQBFM-UHFFFAOYSA-N 0 3 298.217 3.950 20 30 CHEDHN COc1cc(C)cc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC001143157508 1132510186 /nfs/dbraw/zinc/51/01/86/1132510186.db2.gz LYBAELWXLTYSDU-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232732842 1132510882 /nfs/dbraw/zinc/51/08/82/1132510882.db2.gz YCZAMGKNADXINI-LBPRGKRZSA-N 0 3 272.779 3.667 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000843424400 1132531843 /nfs/dbraw/zinc/53/18/43/1132531843.db2.gz TVWMFHCLMFJXJI-CYBMUJFWSA-N 0 3 299.443 3.509 20 30 CHEDHN C=CCN(C)Cc1ccc(Br)c(C)c1C ZINC001233220695 1132581828 /nfs/dbraw/zinc/58/18/28/1132581828.db2.gz BNEHAFIZRIXZKL-UHFFFAOYSA-N 0 3 268.198 3.684 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc(OCOC)c1 ZINC001233282053 1132594985 /nfs/dbraw/zinc/59/49/85/1132594985.db2.gz AEOWLBLHFABKEP-UHFFFAOYSA-N 0 3 297.398 3.858 20 30 CHEDHN Cc1cnccc1Nc1c(C#N)ccc2ccccc21 ZINC001174538022 1132897428 /nfs/dbraw/zinc/89/74/28/1132897428.db2.gz YSYQDMHTCFGIKH-UHFFFAOYSA-N 0 3 259.312 3.580 20 30 CHEDHN Cc1cnccc1Nc1cccc2c(C#N)cccc12 ZINC001174539483 1132900068 /nfs/dbraw/zinc/90/00/68/1132900068.db2.gz HRMGKRLCLFOTAN-UHFFFAOYSA-N 0 3 259.312 3.580 20 30 CHEDHN CCN(CC)Cc1cncc(N[C@H](C#N)c2ccccc2)c1 ZINC001161720898 1133020778 /nfs/dbraw/zinc/02/07/78/1133020778.db2.gz HMGXDLNLVINIQP-GOSISDBHSA-N 0 3 294.402 3.600 20 30 CHEDHN CC(C)P(CCNc1ncnc(Cl)c1C#N)C(C)C ZINC001162358102 1133071347 /nfs/dbraw/zinc/07/13/47/1133071347.db2.gz KHMWGKTZOSOBSD-UHFFFAOYSA-N 0 3 298.758 3.712 20 30 CHEDHN C#CC1(NC(C)(C)c2ccnc(Cl)c2)CCCCC1 ZINC001162485572 1133082145 /nfs/dbraw/zinc/08/21/45/1133082145.db2.gz NPEXGEIKYFAGCS-UHFFFAOYSA-N 0 3 276.811 3.896 20 30 CHEDHN Cc1ccc(C)c(CN2CCc3ccc(C#N)cc3C2)c1 ZINC001203743552 1133364461 /nfs/dbraw/zinc/36/44/61/1133364461.db2.gz QWJWZIPFZRRXBL-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC001204015708 1133399086 /nfs/dbraw/zinc/39/90/86/1133399086.db2.gz JJLFZVFHUHSQHQ-MRXNPFEDSA-N 0 3 298.411 3.663 20 30 CHEDHN CC(C)Oc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001204454940 1133449775 /nfs/dbraw/zinc/44/97/75/1133449775.db2.gz KXMABFREDBJCMR-HNNXBMFYSA-N 0 3 272.392 3.599 20 30 CHEDHN C=CCCCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001205471786 1133579371 /nfs/dbraw/zinc/57/93/71/1133579371.db2.gz QEBOARAQMCAOHP-UHFFFAOYSA-N 0 3 298.224 3.909 20 30 CHEDHN N#Cc1cc(F)cc(CN2CC[C@H](c3ccccc3)C2)c1 ZINC000163600384 1133622292 /nfs/dbraw/zinc/62/22/92/1133622292.db2.gz LHVYXDCAQIQRJG-KRWDZBQOSA-N 0 3 280.346 3.687 20 30 CHEDHN C#C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc(F)cc1 ZINC001205980390 1133637410 /nfs/dbraw/zinc/63/74/10/1133637410.db2.gz JNCQTXGRDUHADS-QMCVQRASSA-N 0 3 257.352 3.668 20 30 CHEDHN C=CCCCCN(C)Cc1ccc(Br)cn1 ZINC001206541580 1133714835 /nfs/dbraw/zinc/71/48/35/1133714835.db2.gz YWPQZDWDSUUCTH-UHFFFAOYSA-N 0 3 283.213 3.632 20 30 CHEDHN C#CCCN(CCOC)[C@H]1C[C@H](C)Sc2sccc21 ZINC001206779759 1133748121 /nfs/dbraw/zinc/74/81/21/1133748121.db2.gz JWUVLOLEANODOF-JSGCOSHPSA-N 0 3 295.473 3.645 20 30 CHEDHN CCCCCCCN(CC)Cc1cnc(C)n1C ZINC001206792401 1133748747 /nfs/dbraw/zinc/74/87/47/1133748747.db2.gz CGENJJKJOKKDEF-UHFFFAOYSA-N 0 3 251.418 3.521 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cncc(C)c1 ZINC001207157114 1133773464 /nfs/dbraw/zinc/77/34/64/1133773464.db2.gz WAWWTIJTQWOIQT-UHFFFAOYSA-N 0 3 266.388 3.968 20 30 CHEDHN N#Cc1ccc2c(c1)CN(CC1CCC(F)(F)CC1)CC2 ZINC001207341938 1133792665 /nfs/dbraw/zinc/79/26/65/1133792665.db2.gz CXQBJARRRZPALY-UHFFFAOYSA-N 0 3 290.357 3.742 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(CC1CCC(F)(F)CC1)C2 ZINC001207342328 1133793533 /nfs/dbraw/zinc/79/35/33/1133793533.db2.gz GVGDCBBEVMRRPB-UHFFFAOYSA-N 0 3 290.357 3.742 20 30 CHEDHN N#CCCN(CCCc1cccc(F)c1)C1CCCC1 ZINC001207601159 1133828245 /nfs/dbraw/zinc/82/82/45/1133828245.db2.gz CLJDFRKUDSXTRD-UHFFFAOYSA-N 0 3 274.383 3.917 20 30 CHEDHN C=CCCCN1CCN(c2nc3ccccc3cc2C)CC1 ZINC001209162658 1133982659 /nfs/dbraw/zinc/98/26/59/1133982659.db2.gz KGTYWWLJAVTBKF-UHFFFAOYSA-N 0 3 295.430 3.631 20 30 CHEDHN C=CCCCCCCN1CCc2nc(C3CC3)ncc2C1 ZINC001209440652 1134020213 /nfs/dbraw/zinc/02/02/13/1134020213.db2.gz NIUWSNFSEUERKH-UHFFFAOYSA-N 0 3 285.435 3.849 20 30 CHEDHN C#C[C@@H](Oc1cccc2c1CNC2)[C@@H](CC)CCCC ZINC001218291727 1135080377 /nfs/dbraw/zinc/08/03/77/1135080377.db2.gz LETMNZWXHMZSOL-WMLDXEAASA-N 0 3 271.404 3.887 20 30 CHEDHN C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cccc3c2CNC3)O1 ZINC001218296413 1135081231 /nfs/dbraw/zinc/08/12/31/1135081231.db2.gz KLGSLFBFVOWGAN-SJLPKXTDSA-N 0 3 287.403 3.571 20 30 CHEDHN C=C(C)c1ccc(O[C@H]2CNCc3ccccc32)cc1 ZINC001218485631 1135113872 /nfs/dbraw/zinc/11/38/72/1135113872.db2.gz ABESEWOLFPLLRW-SFHVURJKSA-N 0 3 265.356 3.943 20 30 CHEDHN Cc1cccc(O[C@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC001226923773 1135761622 /nfs/dbraw/zinc/76/16/22/1135761622.db2.gz ZSVFARZFJQFMGP-KRWDZBQOSA-N 0 3 292.382 3.520 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1cccc(F)c1 ZINC000353606789 529625057 /nfs/dbraw/zinc/62/50/57/529625057.db2.gz FFZAJKXMVDDOMY-KRWDZBQOSA-N 0 3 298.361 3.947 20 30 CHEDHN CN(Cc1cccc(C#N)c1F)C1CCC(F)(F)CC1 ZINC000336573378 529993329 /nfs/dbraw/zinc/99/33/29/529993329.db2.gz GVFVIHBXWZCZQZ-UHFFFAOYSA-N 0 3 282.309 3.707 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(C#N)c1 ZINC000122872836 187057297 /nfs/dbraw/zinc/05/72/97/187057297.db2.gz CKPWNYUOZFABHO-AWEZNQCLSA-N 0 3 275.355 3.623 20 30 CHEDHN C=C(C)[C@H](NCC1CCOCC1)c1ccc(F)c(F)c1 ZINC000187371730 260034032 /nfs/dbraw/zinc/03/40/32/260034032.db2.gz ZQZVXTLUZAJVTH-INIZCTEOSA-N 0 3 281.346 3.598 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1 ZINC000341752865 130021791 /nfs/dbraw/zinc/02/17/91/130021791.db2.gz YZDNBNSRPMQVMC-GOSISDBHSA-N 0 3 262.356 3.725 20 30 CHEDHN Cc1ccccc1[C@H](C)NCc1ccc(C#N)cc1 ZINC000020126225 171010429 /nfs/dbraw/zinc/01/04/29/171010429.db2.gz MRHLVHRUJCJGOQ-AWEZNQCLSA-N 0 3 250.345 3.718 20 30 CHEDHN CCc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000035256345 172086231 /nfs/dbraw/zinc/08/62/31/172086231.db2.gz RDKUKVPFPBJPLP-AWEZNQCLSA-N 0 3 264.372 3.971 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000035256395 172086967 /nfs/dbraw/zinc/08/69/67/172086967.db2.gz FDHDQQLTCFSDAX-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000334935588 225368891 /nfs/dbraw/zinc/36/88/91/225368891.db2.gz NFTRNZGNOWUREN-QGZVFWFLSA-N 0 3 293.395 3.659 20 30 CHEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1ccccn1 ZINC000411500518 262696296 /nfs/dbraw/zinc/69/62/96/262696296.db2.gz GAQUGQLJKLMEDT-CQSZACIVSA-N 0 3 257.381 3.596 20 30 CHEDHN N#CCCC[C@@H](NCc1cncc(F)c1)c1ccccc1 ZINC000353913741 226816346 /nfs/dbraw/zinc/81/63/46/226816346.db2.gz JDFDTUUZKJWJNP-QGZVFWFLSA-N 0 3 283.350 3.745 20 30 CHEDHN N#CC(C(=O)c1ccc(-c2ccccc2)cc1)c1ccncn1 ZINC000354467169 227004954 /nfs/dbraw/zinc/00/49/54/227004954.db2.gz KJKIIZYWJKBSEO-KRWDZBQOSA-N 0 3 299.333 3.634 20 30 CHEDHN Cc1ncsc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000336083663 228185912 /nfs/dbraw/zinc/18/59/12/228185912.db2.gz HQJVRLOMAVOFNS-MRXNPFEDSA-N 0 3 297.427 3.881 20 30 CHEDHN C[C@]1(c2ccccc2)CCCN(CC2(C#N)CC2)CC1 ZINC000352222685 228201017 /nfs/dbraw/zinc/20/10/17/228201017.db2.gz SBLYIZODFROLRV-KRWDZBQOSA-N 0 3 268.404 3.734 20 30 CHEDHN Cc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000037230759 260076627 /nfs/dbraw/zinc/07/66/27/260076627.db2.gz KWNNHQLHMVDMEW-HNNXBMFYSA-N 0 3 280.371 3.748 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H]2CCc2ccccc2)o1 ZINC000180151216 260095042 /nfs/dbraw/zinc/09/50/42/260095042.db2.gz ZZBFTFQBWXBRJI-INIZCTEOSA-N 0 3 280.371 3.748 20 30 CHEDHN Cc1cc(C)c(CNCc2cccc(C#N)c2)c(C)c1 ZINC000037501704 260113733 /nfs/dbraw/zinc/11/37/33/260113733.db2.gz HMMSGOZRQQZPKK-UHFFFAOYSA-N 0 3 264.372 3.773 20 30 CHEDHN C#CC[C@@H](NCc1ccc(O)c(OCC)c1)c1ccccc1 ZINC000297562265 260129294 /nfs/dbraw/zinc/12/92/94/260129294.db2.gz HFXPLQWWAZXSOO-QGZVFWFLSA-N 0 3 295.382 3.645 20 30 CHEDHN N#CCCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000048376075 260199129 /nfs/dbraw/zinc/19/91/29/260199129.db2.gz ZTXGUFWNHABUOA-UHFFFAOYSA-N 0 3 285.416 3.779 20 30 CHEDHN COc1ccc(CNCc2ccc(C#N)cc2)cc1Cl ZINC000086585522 260208779 /nfs/dbraw/zinc/20/87/79/260208779.db2.gz HMIZCYXTQHHJBF-UHFFFAOYSA-N 0 3 286.762 3.510 20 30 CHEDHN Cc1cnc([C@@H](C)NCCCCC(C)(C)C#N)s1 ZINC000235193850 260243480 /nfs/dbraw/zinc/24/34/80/260243480.db2.gz ZFLLOILIHYFJNU-GFCCVEGCSA-N 0 3 265.426 3.822 20 30 CHEDHN N#CCC1CCN(Cc2ccc3c(c2)CCCC3)CC1 ZINC000517818884 260309259 /nfs/dbraw/zinc/30/92/59/260309259.db2.gz IZSXGFFCNDUQAB-UHFFFAOYSA-N 0 3 268.404 3.691 20 30 CHEDHN CCc1nc(C)c([C@@H](C)N(C)CCCSCC#N)s1 ZINC000080632009 260317405 /nfs/dbraw/zinc/31/74/05/260317405.db2.gz LEGKBTIMJMFOAN-GFCCVEGCSA-N 0 3 297.493 3.654 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](C)c1ccncc1OC ZINC000449267759 260334099 /nfs/dbraw/zinc/33/40/99/260334099.db2.gz BGTLGVLCXAJUKW-KBPBESRZSA-N 0 3 262.397 3.876 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(SC)cc1 ZINC000090451050 260359528 /nfs/dbraw/zinc/35/95/28/260359528.db2.gz VNDIGIPBFAMBRA-CYBMUJFWSA-N 0 3 265.422 3.652 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccccc1C(F)(F)F ZINC000090450881 260359531 /nfs/dbraw/zinc/35/95/31/260359531.db2.gz RLBYFPBKWUEMIU-GFCCVEGCSA-N 0 3 287.325 3.949 20 30 CHEDHN C=C(C)COCCN[C@@H]1CCc2cc(Cl)ccc21 ZINC000090450869 260359652 /nfs/dbraw/zinc/35/96/52/260359652.db2.gz BQRXAJDUVCJZTD-OAHLLOKOSA-N 0 3 265.784 3.510 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(CC)s1 ZINC000090451221 260359853 /nfs/dbraw/zinc/35/98/53/260359853.db2.gz KAXVXRUJIPOGNU-GFCCVEGCSA-N 0 3 253.411 3.554 20 30 CHEDHN CCN(CCOCC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000409446471 260406173 /nfs/dbraw/zinc/40/61/73/260406173.db2.gz PMAJCHDLKOBZFP-OAHLLOKOSA-N 0 3 274.408 3.614 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccc(CC)s1 ZINC000090883859 260429409 /nfs/dbraw/zinc/42/94/09/260429409.db2.gz YATFXKFPVWDLOH-LBPRGKRZSA-N 0 3 253.411 3.554 20 30 CHEDHN N#Cc1cccc(OC2CCN(Cc3cccs3)CC2)c1 ZINC000092034439 260490949 /nfs/dbraw/zinc/49/09/49/260490949.db2.gz WDMNXEPAPXAJMH-UHFFFAOYSA-N 0 3 298.411 3.663 20 30 CHEDHN CCc1cc(N2CCC(C#N)CC2)c2ccccc2n1 ZINC000124330981 260746929 /nfs/dbraw/zinc/74/69/29/260746929.db2.gz FXOJPGZIDMVIAQ-UHFFFAOYSA-N 0 3 265.360 3.537 20 30 CHEDHN C[C@H](CCSc1ccccc1)N1CCC(C#N)CC1 ZINC000153337552 261077327 /nfs/dbraw/zinc/07/73/27/261077327.db2.gz HHRUAHNRPXIGRT-CQSZACIVSA-N 0 3 274.433 3.793 20 30 CHEDHN C=CCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000448359941 261127308 /nfs/dbraw/zinc/12/73/08/261127308.db2.gz QFKWYDSBAFAQMH-UHFFFAOYSA-N 0 3 299.370 3.789 20 30 CHEDHN C=CCN1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000177094411 261331396 /nfs/dbraw/zinc/33/13/96/261331396.db2.gz WXSJVNRPJKYWPN-UHFFFAOYSA-N 0 3 252.361 3.751 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](CC)N1CCCC1)c1ccco1 ZINC000514084607 262092730 /nfs/dbraw/zinc/09/27/30/262092730.db2.gz RAVYVCIOUVLPBE-HZPDHXFCSA-N 0 3 276.424 3.751 20 30 CHEDHN C=CCC[C@H](NC[C@@H](CC)N1CCCC1)c1ccco1 ZINC000514084605 262092874 /nfs/dbraw/zinc/09/28/74/262092874.db2.gz RAVYVCIOUVLPBE-CVEARBPZSA-N 0 3 276.424 3.751 20 30 CHEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1cccc(F)c1 ZINC000188181019 262150345 /nfs/dbraw/zinc/15/03/45/262150345.db2.gz SFMPBQAOKTXOQG-SFHVURJKSA-N 0 3 298.361 3.969 20 30 CHEDHN N#C[C@H]1CCC[C@H](NC2(c3ccccc3)CCC2)C1 ZINC000193088491 262216094 /nfs/dbraw/zinc/21/60/94/262216094.db2.gz USALYLDUBPUTKC-HOCLYGCPSA-N 0 3 254.377 3.738 20 30 CHEDHN C=CCCOCCNCc1cc(F)cc(C(F)(F)F)c1 ZINC000120857884 262237754 /nfs/dbraw/zinc/23/77/54/262237754.db2.gz OIEWSQYYINFSQE-UHFFFAOYSA-N 0 3 291.288 3.527 20 30 CHEDHN CN1CCN(CCCCC(C)(C)C#N)C2(CCCCC2)C1 ZINC000365434559 262364867 /nfs/dbraw/zinc/36/48/67/262364867.db2.gz WCJYVUHGPYTGNB-UHFFFAOYSA-N 0 3 291.483 3.657 20 30 CHEDHN CSc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000339157246 262605203 /nfs/dbraw/zinc/60/52/03/262605203.db2.gz YXXKEUZQNACCPN-OBJOEFQTSA-N 0 3 260.406 3.751 20 30 CHEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cccc(O)c1 ZINC000411458306 262694468 /nfs/dbraw/zinc/69/44/68/262694468.db2.gz QBFGYGIPBTWGBY-AWEZNQCLSA-N 0 3 272.392 3.907 20 30 CHEDHN C=CCC[C@H](N[C@H]1C[C@H](OC)C12CCC2)c1ccco1 ZINC000414197355 262817490 /nfs/dbraw/zinc/81/74/90/262817490.db2.gz VQIYJFUSPNZOAE-BPUTZDHNSA-N 0 3 275.392 3.834 20 30 CHEDHN C[C@@H](NCC(C)(C)OCC1CC1)c1ccc(C#N)c(F)c1 ZINC000414279205 262835028 /nfs/dbraw/zinc/83/50/28/262835028.db2.gz ZOFTUERSEPZPKB-GFCCVEGCSA-N 0 3 290.382 3.553 20 30 CHEDHN CC[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000414348351 262847562 /nfs/dbraw/zinc/84/75/62/262847562.db2.gz ODAPDWZFSSHGMC-OWCLPIDISA-N 0 3 266.344 3.748 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)n2ccnc21 ZINC000414305411 262848673 /nfs/dbraw/zinc/84/86/73/262848673.db2.gz RSLYWWJKVHOKQX-UAGQMJEPSA-N 0 3 281.403 3.666 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccc(COC)o1 ZINC000414537556 262987103 /nfs/dbraw/zinc/98/71/03/262987103.db2.gz PIGLNBFYPTUCIH-INIZCTEOSA-N 0 3 285.387 3.703 20 30 CHEDHN Cc1ccccc1CCCN1CCC(C)(C#N)CC1 ZINC000272497501 263005495 /nfs/dbraw/zinc/00/54/95/263005495.db2.gz DABSJILVEGJWGN-UHFFFAOYSA-N 0 3 256.393 3.553 20 30 CHEDHN Cc1ccc(-c2ncc(CNCCCC#N)s2)cc1 ZINC000273005140 263010869 /nfs/dbraw/zinc/01/08/69/263010869.db2.gz AVBSPQKZUAIHBL-UHFFFAOYSA-N 0 3 271.389 3.512 20 30 CHEDHN CCc1c2ccccc2oc1[C@@H](C)NCCCC#N ZINC000273294447 263014824 /nfs/dbraw/zinc/01/48/24/263014824.db2.gz STIYSTZZDOWHHN-GFCCVEGCSA-N 0 3 256.349 3.950 20 30 CHEDHN CCOc1ccc([C@@H](CC)NCCCC#N)cc1OCC ZINC000273301667 263014893 /nfs/dbraw/zinc/01/48/93/263014893.db2.gz UTMPMOASCVPVDR-OAHLLOKOSA-N 0 3 290.407 3.828 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000274358486 263023248 /nfs/dbraw/zinc/02/32/48/263023248.db2.gz MNLXPZNZXYATCC-RISCZKNCSA-N 0 3 284.325 3.918 20 30 CHEDHN CC(C)(C#N)CCCCN1CCc2cc(F)ccc2C1 ZINC000277673172 263042878 /nfs/dbraw/zinc/04/28/78/263042878.db2.gz KBQHXLFFYCMAHU-UHFFFAOYSA-N 0 3 274.383 3.904 20 30 CHEDHN CN(CCCCC(C)(C)C#N)Cc1cc(Cl)cn1C ZINC000277810521 263043561 /nfs/dbraw/zinc/04/35/61/263043561.db2.gz UWXJHYQDXNKPHB-UHFFFAOYSA-N 0 3 281.831 3.830 20 30 CHEDHN CC[C@H](N[C@@H](C)CCC#N)c1ccc(F)cc1F ZINC000278526716 263048630 /nfs/dbraw/zinc/04/86/30/263048630.db2.gz DHRDMDSUYLJFBQ-HZMBPMFUSA-N 0 3 252.308 3.698 20 30 CHEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000281146781 263066872 /nfs/dbraw/zinc/06/68/72/263066872.db2.gz BCZYUYNNUAJLJJ-SJLPKXTDSA-N 0 3 298.430 3.780 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000282352810 263076134 /nfs/dbraw/zinc/07/61/34/263076134.db2.gz PKQMAUXZQOSQBI-COPLHBTASA-N 0 3 293.208 3.792 20 30 CHEDHN C[C@@H](NCC1CCC(C#N)CC1)c1cc(F)ccc1F ZINC000282483733 263076911 /nfs/dbraw/zinc/07/69/11/263076911.db2.gz TULGZSMTBZAVOF-PNESKVBLSA-N 0 3 278.346 3.945 20 30 CHEDHN COc1ccc([C@@H](C)NCCC(C)(C)C#N)c(C)c1OC ZINC000286945439 263100286 /nfs/dbraw/zinc/10/02/86/263100286.db2.gz MDYICDAHAWGGPW-CYBMUJFWSA-N 0 3 290.407 3.603 20 30 CHEDHN C[C@H](NCC(C)(C)CCC#N)c1nccn1-c1ccccc1 ZINC000287303060 263101632 /nfs/dbraw/zinc/10/16/32/263101632.db2.gz SVVZLYTZOUONQX-HNNXBMFYSA-N 0 3 296.418 3.853 20 30 CHEDHN C[C@@H](c1ccc(Cl)cc1)N(CCOCCC#N)C1CC1 ZINC000292917417 263136622 /nfs/dbraw/zinc/13/66/22/263136622.db2.gz XQAAVILMLLRVFX-ZDUSSCGKSA-N 0 3 292.810 3.796 20 30 CHEDHN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293374797 263139516 /nfs/dbraw/zinc/13/95/16/263139516.db2.gz FYVNEEACHFBFBJ-IEBWSBKVSA-N 0 3 297.446 3.801 20 30 CHEDHN CN(CCS[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000295126346 263172639 /nfs/dbraw/zinc/17/26/39/263172639.db2.gz BRGPFSGYGKMAJM-JKSUJKDBSA-N 0 3 274.433 3.544 20 30 CHEDHN Cc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)cs1 ZINC000296916101 263198320 /nfs/dbraw/zinc/19/83/20/263198320.db2.gz PLNKMZGVCHCNSE-CYBMUJFWSA-N 0 3 286.400 3.810 20 30 CHEDHN C[C@@H](CCC#N)N(C)Cc1cccc(Br)c1 ZINC000298054010 263214902 /nfs/dbraw/zinc/21/49/02/263214902.db2.gz ICRAPBGYYZULDC-NSHDSACASA-N 0 3 281.197 3.573 20 30 CHEDHN Cc1csc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000453331002 263236247 /nfs/dbraw/zinc/23/62/47/263236247.db2.gz ZDJCGLQKBKAXSL-NSHDSACASA-N 0 3 274.364 3.918 20 30 CHEDHN Cc1cccc(C2=CCN([C@@H](C)CCC#N)CC2)c1 ZINC000299517612 263245189 /nfs/dbraw/zinc/24/51/89/263245189.db2.gz CPQAMUVRWJDIPY-HNNXBMFYSA-N 0 3 254.377 3.776 20 30 CHEDHN CCC(C)(C)OCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453398585 263263390 /nfs/dbraw/zinc/26/33/90/263263390.db2.gz AHGVFYUTAREVMB-GFCCVEGCSA-N 0 3 278.371 3.553 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000121081612 263290329 /nfs/dbraw/zinc/29/03/29/263290329.db2.gz URSYOPWCAWSFCB-OAHLLOKOSA-N 0 3 274.408 3.528 20 30 CHEDHN C=CCN(CC=C)CCCC(=O)Nc1c(C)cccc1C ZINC000122267007 263301123 /nfs/dbraw/zinc/30/11/23/263301123.db2.gz KOEKSMHOLXUVGJ-UHFFFAOYSA-N 0 3 286.419 3.696 20 30 CHEDHN COCC1(C#N)CCN(Cc2ccc3ccccc3c2)CC1 ZINC000341968253 263371810 /nfs/dbraw/zinc/37/18/10/263371810.db2.gz AQFJPWPEDIDJIS-UHFFFAOYSA-N 0 3 294.398 3.592 20 30 CHEDHN CCS[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000189482741 264302783 /nfs/dbraw/zinc/30/27/83/264302783.db2.gz PMAYGJBIQUPHMR-HOTGVXAUSA-N 0 3 292.423 3.851 20 30 CHEDHN CC(C)C[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000189584079 264310489 /nfs/dbraw/zinc/31/04/89/264310489.db2.gz OSUORAOHWSYEAX-SFHVURJKSA-N 0 3 281.403 3.774 20 30 CHEDHN Cn1cc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1C#N ZINC000189586304 264311172 /nfs/dbraw/zinc/31/11/72/264311172.db2.gz VZZPVRHRHWGQGY-KRWDZBQOSA-N 0 3 299.393 3.913 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc(-c2ccccn2)nc1 ZINC000425478784 264348434 /nfs/dbraw/zinc/34/84/34/264348434.db2.gz NPPVKPVAJSWJAX-MRXNPFEDSA-N 0 3 279.387 3.684 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cccc(F)c1F ZINC000280968850 264469404 /nfs/dbraw/zinc/46/94/04/264469404.db2.gz ZWXKGOLZUPFKTG-MKBNYLNASA-N 0 3 281.346 3.597 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000285036871 264543607 /nfs/dbraw/zinc/54/36/07/264543607.db2.gz HXLXSPOBXUDKNE-DAYGRLMNSA-N 0 3 289.419 3.641 20 30 CHEDHN C=CCC[C@@H](NCCCc1ccccn1)c1ccco1 ZINC000286103280 264575356 /nfs/dbraw/zinc/57/53/56/264575356.db2.gz MSNGRSYSIIBQFR-MRXNPFEDSA-N 0 3 270.376 3.904 20 30 CHEDHN Cc1ccccc1[C@@H](C)NCc1cc(C#N)cs1 ZINC000093492072 265181759 /nfs/dbraw/zinc/18/17/59/265181759.db2.gz PEFSOYXQIGGCLT-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)CC12CCC2 ZINC000357023690 266233642 /nfs/dbraw/zinc/23/36/42/266233642.db2.gz LNPNWOCOOARPLW-CYBMUJFWSA-N 0 3 272.367 3.709 20 30 CHEDHN C=CCN(Cc1cccs1)CC1(O)CCC(C)CC1 ZINC000357678282 266344372 /nfs/dbraw/zinc/34/43/72/266344372.db2.gz YMRPQABGHOHJJN-UHFFFAOYSA-N 0 3 279.449 3.677 20 30 CHEDHN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)C#N ZINC000357805647 266368194 /nfs/dbraw/zinc/36/81/94/266368194.db2.gz JYDQZZWNPPPEAA-SECBINFHSA-N 0 3 285.174 3.502 20 30 CHEDHN C=CC[C@@H](CO)CN[C@H](CC)c1cccc(Cl)c1F ZINC000359416890 266581203 /nfs/dbraw/zinc/58/12/03/266581203.db2.gz JDKKGUFAIHXSGQ-BXUZGUMPSA-N 0 3 285.790 3.704 20 30 CHEDHN C=C(CNCc1ccc(N(C)C(C)C)nc1)c1ccccc1 ZINC000359730430 266631172 /nfs/dbraw/zinc/63/11/72/266631172.db2.gz MOFKKALKNOFTIH-UHFFFAOYSA-N 0 3 295.430 3.729 20 30 CHEDHN CCCN(Cc1cc(C#N)n(C)c1)[C@@H]1CCc2ccccc21 ZINC000361492909 266834047 /nfs/dbraw/zinc/83/40/47/266834047.db2.gz NPEKSVDSUNXKMB-LJQANCHMSA-N 0 3 293.414 3.796 20 30 CHEDHN COc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)cc1 ZINC000362963883 267068026 /nfs/dbraw/zinc/06/80/26/267068026.db2.gz PYWUUWJBDJGXRY-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN CC(C)(CCC#N)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367904980 267126526 /nfs/dbraw/zinc/12/65/26/267126526.db2.gz SSXNSXFGSDAOMP-OAHLLOKOSA-N 0 3 288.439 3.951 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(-c3cccnc3)cc2)C1 ZINC000368155333 267149335 /nfs/dbraw/zinc/14/93/35/267149335.db2.gz ZMWDBEBOPWFEIM-APWZRJJASA-N 0 3 291.398 3.921 20 30 CHEDHN N#CCCCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000369233142 267229454 /nfs/dbraw/zinc/22/94/54/267229454.db2.gz YKYZCVOJTJRYCS-HNNXBMFYSA-N 0 3 264.319 3.796 20 30 CHEDHN CC[C@H](Cc1ccc(C)cc1)NCC1(C#N)CCC1 ZINC000418144031 267364778 /nfs/dbraw/zinc/36/47/78/267364778.db2.gz SBOGTJBQUKLXDR-MRXNPFEDSA-N 0 3 256.393 3.600 20 30 CHEDHN CCc1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418144173 267365046 /nfs/dbraw/zinc/36/50/46/267365046.db2.gz JVLXYXGLFMCPKH-MRXNPFEDSA-N 0 3 297.427 3.744 20 30 CHEDHN CCC[C@H](CNCC1(C#N)CCC1)c1ccccc1 ZINC000418135515 267367885 /nfs/dbraw/zinc/36/78/85/267367885.db2.gz AWBUMJUZOOCOCH-MRXNPFEDSA-N 0 3 256.393 3.854 20 30 CHEDHN C=C(C)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000121819722 267746539 /nfs/dbraw/zinc/74/65/39/267746539.db2.gz ZKFNDFHNZHUMBR-LBPRGKRZSA-N 0 3 273.355 3.547 20 30 CHEDHN N#CCCCNC1(c2cccc(Br)c2)CCC1 ZINC000170779454 327659730 /nfs/dbraw/zinc/65/97/30/327659730.db2.gz KCDUJTWFNDHDAD-UHFFFAOYSA-N 0 3 293.208 3.722 20 30 CHEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000186714843 327701323 /nfs/dbraw/zinc/70/13/23/327701323.db2.gz DETVITAYDNMURG-GXSJLCMTSA-N 0 3 274.191 3.581 20 30 CHEDHN C[C@@H](NCCCSCC#N)c1cc2ccccc2o1 ZINC000182622194 327814328 /nfs/dbraw/zinc/81/43/28/327814328.db2.gz IGNMUXNUOVTZAO-GFCCVEGCSA-N 0 3 274.389 3.730 20 30 CHEDHN CC(C)(NCCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000191690290 327874272 /nfs/dbraw/zinc/87/42/72/327874272.db2.gz WZGRVHZEGLEDAQ-UHFFFAOYSA-N 0 3 286.297 3.714 20 30 CHEDHN N#C[C@H]1CCC[C@@H](N[C@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000192772354 327877601 /nfs/dbraw/zinc/87/76/01/327877601.db2.gz JANFNAXRCOYAKZ-DZOHQFGASA-N 0 3 284.403 3.579 20 30 CHEDHN C=CCC[C@H](CCC)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000364450084 327883827 /nfs/dbraw/zinc/88/38/27/327883827.db2.gz TVOKOMWTPNNMNG-GJZGRUSLSA-N 0 3 290.455 3.790 20 30 CHEDHN CC(C)CC[C@H]1CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000236626879 328001917 /nfs/dbraw/zinc/00/19/17/328001917.db2.gz JCZFTGBCCTZQCS-CJNGLKHVSA-N 0 3 260.381 3.846 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1CC(C)(C)OC1(C)C ZINC000531714472 328028054 /nfs/dbraw/zinc/02/80/54/328028054.db2.gz WOLRUKUIDRRFQB-INIZCTEOSA-N 0 3 289.419 3.687 20 30 CHEDHN C=C(C)CNCc1cnc(-c2ccsc2)s1 ZINC000336688776 328118314 /nfs/dbraw/zinc/11/83/14/328118314.db2.gz VVHFBDNWPFYDBB-UHFFFAOYSA-N 0 3 250.392 3.537 20 30 CHEDHN CCC[C@H](C)[C@H](CO)N[C@H](C)c1ccc(C#N)cc1Cl ZINC000582551087 329106333 /nfs/dbraw/zinc/10/63/33/329106333.db2.gz LTWFLKCJLCPOOI-OZVIIMIRSA-N 0 3 294.826 3.659 20 30 CHEDHN N#CCSCCCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000267615169 328179629 /nfs/dbraw/zinc/17/96/29/328179629.db2.gz CEGGAUAPLZHJQO-INIZCTEOSA-N 0 3 292.423 4.000 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(N2CCCCC2)cc1 ZINC000273179241 328204471 /nfs/dbraw/zinc/20/44/71/328204471.db2.gz DNFXYWIJAZUMLV-HNNXBMFYSA-N 0 3 271.408 3.631 20 30 CHEDHN COc1ccc(C)cc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000274206261 328209486 /nfs/dbraw/zinc/20/94/86/328209486.db2.gz MFXKUYZINIEHNX-ZNMIVQPWSA-N 0 3 272.392 3.737 20 30 CHEDHN CC(C)Oc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000274222181 328209790 /nfs/dbraw/zinc/20/97/90/328209790.db2.gz QENWCLULMYRSHR-GOEBONIOSA-N 0 3 272.392 3.646 20 30 CHEDHN CSc1ccccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000282235922 328241925 /nfs/dbraw/zinc/24/19/25/328241925.db2.gz ITKNOARTNQZQOF-RWMBFGLXSA-N 0 3 260.406 3.751 20 30 CHEDHN CC(C)c1ccccc1OCCNCc1cccc(C#N)c1 ZINC000111407512 328354564 /nfs/dbraw/zinc/35/45/64/328354564.db2.gz QDMXNZDEXPFOBP-UHFFFAOYSA-N 0 3 294.398 3.850 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1CCCC(F)(F)C1 ZINC000532016243 328390186 /nfs/dbraw/zinc/39/01/86/328390186.db2.gz PBWVQHFATYXAPJ-AWEZNQCLSA-N 0 3 281.346 3.919 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)c(F)c1 ZINC000050266858 328394606 /nfs/dbraw/zinc/39/46/06/328394606.db2.gz PHOQDUFCEUVUGI-MRXNPFEDSA-N 0 3 280.346 3.687 20 30 CHEDHN C=CCOCCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000563820601 328521306 /nfs/dbraw/zinc/52/13/06/328521306.db2.gz KRIJPKFRTXTHOX-UHFFFAOYSA-N 0 3 275.367 3.508 20 30 CHEDHN C=CCC[C@H](CCC)NCc1csc(COC)n1 ZINC000289993686 328528104 /nfs/dbraw/zinc/52/81/04/328528104.db2.gz YOGSZNYDLYJTNO-LBPRGKRZSA-N 0 3 268.426 3.514 20 30 CHEDHN C#CC[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000290181520 328529907 /nfs/dbraw/zinc/52/99/07/328529907.db2.gz VOBSWCCMWOTNKO-IBGZPJMESA-N 0 3 293.410 3.768 20 30 CHEDHN CC(C)[C@H](NCC1(CC#N)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000430722661 328529909 /nfs/dbraw/zinc/52/99/09/328529909.db2.gz FQTPCOBRCFGTKP-HNNXBMFYSA-N 0 3 299.374 3.514 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@H](c2cccc(F)c2)C1 ZINC000557966181 327037885 /nfs/dbraw/zinc/03/78/85/327037885.db2.gz LXMLLUVKZUYKEO-AWEZNQCLSA-N 0 3 260.356 3.555 20 30 CHEDHN C=CCC[C@H](N[C@H]1CSC1(C)C)c1ccco1 ZINC000584129262 327047325 /nfs/dbraw/zinc/04/73/25/327047325.db2.gz RQWBKJYAPSDFRM-AAEUAGOBSA-N 0 3 251.395 3.771 20 30 CHEDHN CC[C@H]1CC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000558256660 327083277 /nfs/dbraw/zinc/08/32/77/327083277.db2.gz UYOMXRFRSLFYSO-ZFWWWQNUSA-N 0 3 281.321 3.835 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000090883762 327101482 /nfs/dbraw/zinc/10/14/82/327101482.db2.gz ZDGPEFVQKRJAFL-LBPRGKRZSA-N 0 3 285.334 3.531 20 30 CHEDHN C[C@@H](c1ccccc1Cl)N(C)CCCSCC#N ZINC000074981956 327122825 /nfs/dbraw/zinc/12/28/25/327122825.db2.gz YDIVIYKKMUXYEG-LBPRGKRZSA-N 0 3 282.840 3.980 20 30 CHEDHN C=CCC[C@H](NCC(CC)(CC)CO)c1ccco1 ZINC000569516423 327188253 /nfs/dbraw/zinc/18/82/53/327188253.db2.gz NSMSXXVIAKLKIG-AWEZNQCLSA-N 0 3 265.397 3.675 20 30 CHEDHN N#CCCCCNCc1c(Cl)cccc1N1CCCC1 ZINC000092388975 327193814 /nfs/dbraw/zinc/19/38/14/327193814.db2.gz MWIRIYBILJSULX-UHFFFAOYSA-N 0 3 291.826 3.724 20 30 CHEDHN CC#CCN(C)[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000569549250 327196755 /nfs/dbraw/zinc/19/67/55/327196755.db2.gz DPPLSEAYWWZDFT-KRWDZBQOSA-N 0 3 291.822 3.763 20 30 CHEDHN CCCCN(C(=O)C(C)C#N)[C@@H](C)c1ccccc1 ZINC000531061222 327236552 /nfs/dbraw/zinc/23/65/52/327236552.db2.gz OTFYRTMHYJZPPY-KBPBESRZSA-N 0 3 258.365 3.536 20 30 CHEDHN COc1cc(C#N)ccc1CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000559431285 327245035 /nfs/dbraw/zinc/24/50/35/327245035.db2.gz AZZLDTJWMDGIHT-HZPDHXFCSA-N 0 3 284.403 3.577 20 30 CHEDHN C=CCOc1ccccc1CNCc1ccc(C)s1 ZINC000048068731 327277211 /nfs/dbraw/zinc/27/72/11/327277211.db2.gz AECAGHBEPUEWEK-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN C=CCC[C@H](NCC(C)(C)[C@H](O)C(C)C)c1ccco1 ZINC000560544980 327322504 /nfs/dbraw/zinc/32/25/04/327322504.db2.gz RVXXBUGJUHWDBB-GOEBONIOSA-N 0 3 279.424 3.920 20 30 CHEDHN C=CCC[C@@H](N[C@@H](CO)Cc1ccccc1C)c1ccco1 ZINC000560549080 327322963 /nfs/dbraw/zinc/32/29/63/327322963.db2.gz LYWPFJYIYKBAJE-QZTJIDSGSA-N 0 3 299.414 3.789 20 30 CHEDHN C[C@H]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000237563252 327334644 /nfs/dbraw/zinc/33/46/44/327334644.db2.gz BNKUNGFEHVVLKB-WFASDCNBSA-N 0 3 281.321 3.835 20 30 CHEDHN C=C(C)[C@H](NCCCC(=O)OCC)c1ccc(F)c(F)c1 ZINC000187771688 327347035 /nfs/dbraw/zinc/34/70/35/327347035.db2.gz XLQVIEFXNDPSPT-INIZCTEOSA-N 0 3 297.345 3.515 20 30 CHEDHN CC(C)(c1ccccc1)C1(NCc2ccc(C#N)o2)CC1 ZINC000449713809 327421454 /nfs/dbraw/zinc/42/14/54/327421454.db2.gz AQCQOOGPVCQRSR-UHFFFAOYSA-N 0 3 280.371 3.751 20 30 CHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(C)(C)C#N ZINC000157522945 327436614 /nfs/dbraw/zinc/43/66/14/327436614.db2.gz LQIYYQXIKONGGG-LBPRGKRZSA-N 0 3 276.428 3.537 20 30 CHEDHN CC[C@H](NCC#Cc1ccccc1)c1cccs1 ZINC000051814331 328635221 /nfs/dbraw/zinc/63/52/21/328635221.db2.gz ZQDIFECOZUYFSF-HNNXBMFYSA-N 0 3 255.386 3.841 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CCc2c1cccc2Cl ZINC000563943140 328840242 /nfs/dbraw/zinc/84/02/42/328840242.db2.gz RNFJWGPQFDAFGY-CQSZACIVSA-N 0 3 262.784 3.857 20 30 CHEDHN C=CC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000353593407 328855201 /nfs/dbraw/zinc/85/52/01/328855201.db2.gz LALVDXHDZDGNNP-UHFFFAOYSA-N 0 3 259.324 3.970 20 30 CHEDHN C[C@@H]1c2ccccc2CCN1Cc1cccc(C#N)c1 ZINC000170954636 329072740 /nfs/dbraw/zinc/07/27/40/329072740.db2.gz UIELDCLEZLCOOU-CQSZACIVSA-N 0 3 262.356 3.678 20 30 CHEDHN CC1(C)CN(Cc2cc(C#N)ccc2F)[C@@H]2CCC[C@H]21 ZINC000393542598 329087455 /nfs/dbraw/zinc/08/74/55/329087455.db2.gz FNNCRSNPACNYDH-GDBMZVCRSA-N 0 3 272.367 3.708 20 30 CHEDHN CC(C)(C#N)CCCN1CC=C(c2ccc(O)cc2)CC1 ZINC000174813275 329161477 /nfs/dbraw/zinc/16/14/77/329161477.db2.gz YXLKFJHBQSHFOC-UHFFFAOYSA-N 0 3 284.403 3.811 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181323796 329231686 /nfs/dbraw/zinc/23/16/86/329231686.db2.gz IPTIMFWXFITDPT-CQSZACIVSA-N 0 3 252.361 3.975 20 30 CHEDHN Cc1cc(OCCCOc2cccc(C#N)c2)c(C)c(C)n1 ZINC000582876853 329279220 /nfs/dbraw/zinc/27/92/20/329279220.db2.gz CWSXOOOREVDLBK-UHFFFAOYSA-N 0 3 296.370 3.726 20 30 CHEDHN Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)n1 ZINC000582898032 329282525 /nfs/dbraw/zinc/28/25/25/329282525.db2.gz JHLXKVCDIQRMPC-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN N#CCCCOc1cccc(CN2CCCC3(CC3)C2)c1 ZINC000186622466 329346832 /nfs/dbraw/zinc/34/68/32/329346832.db2.gz GBBGXGDYKMQVLU-UHFFFAOYSA-N 0 3 284.403 3.745 20 30 CHEDHN N#Cc1cccc(CN2CCC(c3ccsc3)CC2)c1 ZINC000186924333 329350333 /nfs/dbraw/zinc/35/03/33/329350333.db2.gz SXKCPEZGTAWYPP-UHFFFAOYSA-N 0 3 282.412 3.999 20 30 CHEDHN CC1(C)CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000229751044 329357248 /nfs/dbraw/zinc/35/72/48/329357248.db2.gz FLXKWHSLMXGUME-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN N#CCc1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000399100986 329448403 /nfs/dbraw/zinc/44/84/03/329448403.db2.gz GDQKETFKSSBLLK-GOSISDBHSA-N 0 3 262.356 3.530 20 30 CHEDHN N#CCCC1CCN(Cc2ccccc2Cl)CC1 ZINC000399343364 329451061 /nfs/dbraw/zinc/45/10/61/329451061.db2.gz WSYMYJJHPZXLKU-UHFFFAOYSA-N 0 3 262.784 3.856 20 30 CHEDHN CC[C@@H](CC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC000421339889 329813884 /nfs/dbraw/zinc/81/38/84/329813884.db2.gz HUAFAUVGQLAPPT-NSHDSACASA-N 0 3 274.261 3.518 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000248874740 329901506 /nfs/dbraw/zinc/90/15/06/329901506.db2.gz JANFNAXRCOYAKZ-SPUZQDLCSA-N 0 3 284.403 3.579 20 30 CHEDHN C=CCC[C@H](NC[C@H]1CCC(C)(C)O1)c1ccco1 ZINC000572298095 329970548 /nfs/dbraw/zinc/97/05/48/329970548.db2.gz KNBONZUXZQIZQS-KGLIPLIRSA-N 0 3 263.381 3.834 20 30 CHEDHN C=C(C)CN1CCC(Nc2ccc(C(F)(F)F)cn2)CC1 ZINC000264504865 330061483 /nfs/dbraw/zinc/06/14/83/330061483.db2.gz RDYMHYXQTVZIHQ-UHFFFAOYSA-N 0 3 299.340 3.553 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000572403375 330063730 /nfs/dbraw/zinc/06/37/30/330063730.db2.gz GZEAXAQPRLKPAV-INIZCTEOSA-N 0 3 266.344 3.513 20 30 CHEDHN C=CCCCCCN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000572411886 330067159 /nfs/dbraw/zinc/06/71/59/330067159.db2.gz INLJOMQRBXPRAK-CQSZACIVSA-N 0 3 267.804 3.530 20 30 CHEDHN C#CC[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000270259581 330073918 /nfs/dbraw/zinc/07/39/18/330073918.db2.gz VSYWYFAVUGISEG-IBGZPJMESA-N 0 3 278.399 3.607 20 30 CHEDHN C#CCCCN1CCC[C@H]1c1nc2ccccc2n1CC ZINC000271023607 330077592 /nfs/dbraw/zinc/07/75/92/330077592.db2.gz JONHFJRKUMGALK-KRWDZBQOSA-N 0 3 281.403 3.607 20 30 CHEDHN C=CC[C@@H](C)[C@H](C)NCc1nnc(C(C)(C)C)s1 ZINC000271563661 330080956 /nfs/dbraw/zinc/08/09/56/330080956.db2.gz YAQXHDIBBDNFRC-MNOVXSKESA-N 0 3 267.442 3.526 20 30 CHEDHN C=C(C)[C@H](N[C@H]1CCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000274803261 330108120 /nfs/dbraw/zinc/10/81/20/330108120.db2.gz OYFLSDBQRFLBTH-RBOXIYTFSA-N 0 3 281.346 3.739 20 30 CHEDHN C=CCC[C@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274814418 330108210 /nfs/dbraw/zinc/10/82/10/330108210.db2.gz YSQHVDYDXVEHEN-GUYCJALGSA-N 0 3 287.382 3.593 20 30 CHEDHN C=CCOc1ccc(CNC2CC(F)(F)C2)cc1Cl ZINC000277743079 330117061 /nfs/dbraw/zinc/11/70/61/330117061.db2.gz VMZPEPISVHGMFD-UHFFFAOYSA-N 0 3 287.737 3.792 20 30 CHEDHN CC(C)(CC#N)CN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527912540 330290831 /nfs/dbraw/zinc/29/08/31/330290831.db2.gz IQXMWKOSEWFSMG-AWEZNQCLSA-N 0 3 280.774 3.996 20 30 CHEDHN C=CCCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000533034426 330324803 /nfs/dbraw/zinc/32/48/03/330324803.db2.gz LDXJLUAGNUAEKW-SFHVURJKSA-N 0 3 266.388 3.859 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cnc(-c3ccsc3)s2)C1 ZINC000424199242 330326175 /nfs/dbraw/zinc/32/61/75/330326175.db2.gz QHZXHTDFTUATGX-PWSUYJOCSA-N 0 3 289.429 3.653 20 30 CHEDHN CC(C)CCN(Cc1cc(C#N)ccc1F)C1CC1 ZINC000044898536 330333728 /nfs/dbraw/zinc/33/37/28/330333728.db2.gz KSLIJGKBPJBTEL-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000424326587 330341310 /nfs/dbraw/zinc/34/13/10/330341310.db2.gz MDWNLYIVICKBRD-XZJROXQQSA-N 0 3 258.340 3.559 20 30 CHEDHN C[C@H]1CCc2c(F)cccc2[C@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000424326593 330341345 /nfs/dbraw/zinc/34/13/45/330341345.db2.gz MEEMUUYYKZHAON-JRATXPSKSA-N 0 3 272.367 3.731 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC000424337723 330343663 /nfs/dbraw/zinc/34/36/63/330343663.db2.gz ZWIFCJYZIYUTBA-JFGNBEQYSA-N 0 3 298.308 3.770 20 30 CHEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccccc1 ZINC000533289159 330356122 /nfs/dbraw/zinc/35/61/22/330356122.db2.gz WPHDZGVEGZFWFB-OAHLLOKOSA-N 0 3 274.408 3.692 20 30 CHEDHN C[C@@H]1CCC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000533322769 330357526 /nfs/dbraw/zinc/35/75/26/330357526.db2.gz HQBATLHIHRXORG-RHSMWYFYSA-N 0 3 259.368 3.688 20 30 CHEDHN C=CC[C@@H](C)NCc1ccc(Br)cc1F ZINC000116927701 330361636 /nfs/dbraw/zinc/36/16/36/330361636.db2.gz QYTOMCCMLGZVKT-SECBINFHSA-N 0 3 272.161 3.642 20 30 CHEDHN C=CCCOCCN[C@H](CC)c1cc(F)ccc1F ZINC000090883613 330396544 /nfs/dbraw/zinc/39/65/44/330396544.db2.gz VKFIOMQOEGAYNH-OAHLLOKOSA-N 0 3 269.335 3.598 20 30 CHEDHN C=CCC[C@H](O)CN(CC)Cc1ccc(Cl)s1 ZINC000121265652 330398868 /nfs/dbraw/zinc/39/88/68/330398868.db2.gz GEUVGSGLKNGDCO-NSHDSACASA-N 0 3 273.829 3.551 20 30 CHEDHN Cc1cccc(O[C@@H](C)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000537292770 330431217 /nfs/dbraw/zinc/43/12/17/330431217.db2.gz OCEHOCBPAKIJHI-HOTGVXAUSA-N 0 3 294.398 3.985 20 30 CHEDHN CC[C@@H]1CCCC[C@H]1NCc1cccc(F)c1C#N ZINC000428421958 330522894 /nfs/dbraw/zinc/52/28/94/330522894.db2.gz MQEGCBAYRYLXIZ-MLGOLLRUSA-N 0 3 260.356 3.756 20 30 CHEDHN Cc1ccc(CNCC2(CC#N)CC2)cc1Br ZINC000430029905 330557621 /nfs/dbraw/zinc/55/76/21/330557621.db2.gz YVGBJGLUTKUISY-UHFFFAOYSA-N 0 3 293.208 3.541 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)CCC2 ZINC000430751261 330572993 /nfs/dbraw/zinc/57/29/93/330572993.db2.gz UKYITMNBWQTNOX-ZDUSSCGKSA-N 0 3 254.377 3.520 20 30 CHEDHN CCCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000430753342 330573091 /nfs/dbraw/zinc/57/30/91/330573091.db2.gz JWHGSEHNGMQDKV-AWEZNQCLSA-N 0 3 272.392 3.820 20 30 CHEDHN C=C(CC)CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434678351 330642918 /nfs/dbraw/zinc/64/29/18/330642918.db2.gz FVHGVXZFZJSCDX-UHFFFAOYSA-N 0 3 275.367 3.687 20 30 CHEDHN CC(C)[C@@H](CC(F)(F)F)NCc1cc(C#N)cs1 ZINC000438479778 330725978 /nfs/dbraw/zinc/72/59/78/330725978.db2.gz PSNZGXXXTYYSPV-LLVKDONJSA-N 0 3 276.327 3.686 20 30 CHEDHN CC1(C)C[C@@H](NCc2ccc(C#N)cc2Cl)C(C)(C)O1 ZINC000439430997 330738164 /nfs/dbraw/zinc/73/81/64/330738164.db2.gz OHVSZHZQQIZDOW-CQSZACIVSA-N 0 3 292.810 3.647 20 30 CHEDHN N#C[C@@H]1CC[C@H](NC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000442842985 330786375 /nfs/dbraw/zinc/78/63/75/330786375.db2.gz RCBBBARUYUHTPL-KWCYVHTRSA-N 0 3 282.309 3.614 20 30 CHEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000442871363 330789062 /nfs/dbraw/zinc/78/90/62/330789062.db2.gz LKUYZRHSMCZQDI-VZAMPYOESA-N 0 3 292.810 3.698 20 30 CHEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1cccc(O)c1 ZINC000158470519 330831818 /nfs/dbraw/zinc/83/18/18/330831818.db2.gz NRQAXLCZFXEACN-STJZUHDESA-N 0 3 292.382 3.667 20 30 CHEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000446935762 330858224 /nfs/dbraw/zinc/85/82/24/330858224.db2.gz HPNMQIVTIQUWPP-GOSISDBHSA-N 0 3 298.361 3.817 20 30 CHEDHN CC[C@@H](NCc1cc(F)cc(OC)c1)c1ccc(C#N)cc1 ZINC000447585640 330871528 /nfs/dbraw/zinc/87/15/28/330871528.db2.gz LCCQAYKKWQFIDU-GOSISDBHSA-N 0 3 298.361 3.947 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1nnc2ccccn21 ZINC000449067451 330896806 /nfs/dbraw/zinc/89/68/06/330896806.db2.gz LMOIIWMJIGCZEA-KGLIPLIRSA-N 0 3 272.396 3.515 20 30 CHEDHN CC[C@H](NC1CCC(C)(C#N)CC1)c1nc(C)cs1 ZINC000449134476 330901223 /nfs/dbraw/zinc/90/12/23/330901223.db2.gz JNFOOCRQIGUNRQ-OWYJLGKBSA-N 0 3 277.437 3.965 20 30 CHEDHN Cc1csc([C@@H](NC2CCC(C)(C#N)CC2)C2CC2)n1 ZINC000449170024 330903175 /nfs/dbraw/zinc/90/31/75/330903175.db2.gz FGJLTQYKIKEULV-BBBYJDLNSA-N 0 3 289.448 3.965 20 30 CHEDHN N#Cc1ccc(CNC[C@H]2CCC[C@H]2c2ccccc2)o1 ZINC000449402427 330922733 /nfs/dbraw/zinc/92/27/33/330922733.db2.gz REPPLXJWHBTFJM-QAPCUYQASA-N 0 3 280.371 3.825 20 30 CHEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000449734199 330946599 /nfs/dbraw/zinc/94/65/99/330946599.db2.gz AJHBBKMAUMZYSM-HIFRSBDPSA-N 0 3 292.423 3.707 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)CCN1CC1(C#N)CCC1 ZINC000450899409 331005763 /nfs/dbraw/zinc/00/57/63/331005763.db2.gz DHVLRPGQOXXHRA-RDJZCZTQSA-N 0 3 268.404 3.948 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC1(C#N)CCC1 ZINC000451189876 331019591 /nfs/dbraw/zinc/01/95/91/331019591.db2.gz RWOMAMXOOOFZHW-INMHGKMJSA-N 0 3 268.404 3.947 20 30 CHEDHN C=CCCCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451289141 331023208 /nfs/dbraw/zinc/02/32/08/331023208.db2.gz WRRGKSSCLJQITF-QZTJIDSGSA-N 0 3 291.410 3.533 20 30 CHEDHN C=CCCC[C@H](C)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451289774 331023270 /nfs/dbraw/zinc/02/32/70/331023270.db2.gz YKPYFGSXLMXDFP-JQHSSLGASA-N 0 3 291.410 3.531 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccsc1 ZINC000453263779 331108964 /nfs/dbraw/zinc/10/89/64/331108964.db2.gz ZMMDOEPTAKUIDY-HNNXBMFYSA-N 0 3 286.400 3.869 20 30 CHEDHN C=C(C)CCN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000453314813 331115332 /nfs/dbraw/zinc/11/53/32/331115332.db2.gz IWBXMTZHNPNDKP-CQSZACIVSA-N 0 3 284.407 3.501 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccc(Cl)s1 ZINC000453354285 331121297 /nfs/dbraw/zinc/12/12/97/331121297.db2.gz KTLQSUABVMHNLT-MXWKQRLJSA-N 0 3 271.813 3.786 20 30 CHEDHN C=C(CC)CN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453363394 331122827 /nfs/dbraw/zinc/12/28/27/331122827.db2.gz OFSFSKGQCHDWPE-CQSZACIVSA-N 0 3 269.392 3.704 20 30 CHEDHN C=CCC[C@H](CO)N[C@H](CC)c1cc(Cl)ccc1OC ZINC000453376401 331124971 /nfs/dbraw/zinc/12/49/71/331124971.db2.gz XBNJABSWDRUFPF-UKRRQHHQSA-N 0 3 297.826 3.716 20 30 CHEDHN C[C@@H](NCCC1CC(F)(F)C1)c1ccc(C#N)cc1F ZINC000453431345 331131311 /nfs/dbraw/zinc/13/13/11/331131311.db2.gz RNXAINPAGSMWNU-SNVBAGLBSA-N 0 3 282.309 3.783 20 30 CHEDHN CC(C#N)C(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000457126869 331212663 /nfs/dbraw/zinc/21/26/63/331212663.db2.gz PYHIIIFCBHRWLV-KYOSRNDESA-N 0 3 290.794 3.642 20 30 CHEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458254657 331246331 /nfs/dbraw/zinc/24/63/31/331246331.db2.gz AAGKDVLQPAJIRB-CQSZACIVSA-N 0 3 274.408 3.597 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000459648316 331292085 /nfs/dbraw/zinc/29/20/85/331292085.db2.gz KSLZJNZUEOQYRS-TUAOUCFPSA-N 0 3 264.438 3.883 20 30 CHEDHN CC(C)(CC#N)CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000459683431 331292809 /nfs/dbraw/zinc/29/28/09/331292809.db2.gz AZOJYOIGIZDDRV-UHFFFAOYSA-N 0 3 288.288 3.874 20 30 CHEDHN CCOc1ccc(CNCC(C)(C)CC#N)cc1OCC ZINC000459661660 331292835 /nfs/dbraw/zinc/29/28/35/331292835.db2.gz BGNCVTTZHHMQJW-UHFFFAOYSA-N 0 3 290.407 3.513 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(Cl)c2cccnc12 ZINC000459726340 331296020 /nfs/dbraw/zinc/29/60/20/331296020.db2.gz FBJSZZVCHLZZFO-UHFFFAOYSA-N 0 3 287.794 3.918 20 30 CHEDHN CCOc1c(Cl)cccc1CNCC(C)(C)CC#N ZINC000459733616 331296663 /nfs/dbraw/zinc/29/66/63/331296663.db2.gz QOAGYPCIJVANRX-UHFFFAOYSA-N 0 3 280.799 3.768 20 30 CHEDHN COc1ccc2c(c1)CCC[C@H]2NCC(C)(C)CC#N ZINC000459736244 331296898 /nfs/dbraw/zinc/29/68/98/331296898.db2.gz UHLZGEASBOXFIR-MRXNPFEDSA-N 0 3 272.392 3.602 20 30 CHEDHN CC#CCCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000462327919 331319754 /nfs/dbraw/zinc/31/97/54/331319754.db2.gz PWBMTFKEYYHBGC-HOCLYGCPSA-N 0 3 259.418 3.578 20 30 CHEDHN C=CCC[C@H](NC[C@@](C)(OC)C1CC1)c1ccco1 ZINC000462815410 331330685 /nfs/dbraw/zinc/33/06/85/331330685.db2.gz CZALBZXBIPQABK-GOEBONIOSA-N 0 3 263.381 3.692 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462965841 331336049 /nfs/dbraw/zinc/33/60/49/331336049.db2.gz PAQHJOJBNJFMIM-JTNHKYCSSA-N 0 3 281.346 3.979 20 30 CHEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OC(C)C)c1 ZINC000463240951 331343762 /nfs/dbraw/zinc/34/37/62/331343762.db2.gz XXUYZHQQFWAMFI-RDJZCZTQSA-N 0 3 286.419 3.954 20 30 CHEDHN CC(C)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463296394 331345685 /nfs/dbraw/zinc/34/56/85/331345685.db2.gz TYJNSJWCWLYPCP-WBVHZDCISA-N 0 3 256.393 3.982 20 30 CHEDHN C=C(C)CN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000464775613 331367315 /nfs/dbraw/zinc/36/73/15/331367315.db2.gz MSRSMSSXPFGASB-SFHVURJKSA-N 0 3 273.420 3.595 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1C[C@](C)(OC)C1(C)C ZINC000465014222 331375849 /nfs/dbraw/zinc/37/58/49/331375849.db2.gz KNHDXXJQPNVLEF-WMZOPIPTSA-N 0 3 289.419 3.545 20 30 CHEDHN CCOc1ccccc1[C@H](C)NCCc1cccc(C#N)c1 ZINC000467449123 331419922 /nfs/dbraw/zinc/41/99/22/331419922.db2.gz NVKXVEQCESLUKF-HNNXBMFYSA-N 0 3 294.398 3.850 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000468038223 331427370 /nfs/dbraw/zinc/42/73/70/331427370.db2.gz PHNHTZGOKOFLAN-WDEREUQCSA-N 0 3 282.771 3.939 20 30 CHEDHN C[C@@H](CCSc1ccccc1)N1CCC(F)(C#N)CC1 ZINC000510969648 332922543 /nfs/dbraw/zinc/92/25/43/332922543.db2.gz QJZYFSAVVNQMIJ-AWEZNQCLSA-N 0 3 292.423 3.885 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000479428143 331728857 /nfs/dbraw/zinc/72/88/57/331728857.db2.gz UAGXXAYPZSBCJW-XNJGSVPQSA-N 0 3 295.373 3.987 20 30 CHEDHN C[C@H](N[C@@H](CO)CCC(C)(C)C)c1ccc(C#N)cc1F ZINC000479550186 331736875 /nfs/dbraw/zinc/73/68/75/331736875.db2.gz ZPMZZJLDQWWLPF-GXTWGEPZSA-N 0 3 292.398 3.535 20 30 CHEDHN C=C(C)CN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481376600 331805740 /nfs/dbraw/zinc/80/57/40/331805740.db2.gz JRWOADGNMZZNDY-SMDDNHRTSA-N 0 3 253.773 3.582 20 30 CHEDHN CCOc1c(Cl)cccc1CNCCCCC#N ZINC000487271993 331961724 /nfs/dbraw/zinc/96/17/24/331961724.db2.gz BXRLIIYVCDGNPE-UHFFFAOYSA-N 0 3 266.772 3.522 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2ccccc2)ccc1C#N ZINC000488129838 331991468 /nfs/dbraw/zinc/99/14/68/331991468.db2.gz OMHSTKDNDQBPDY-AWEZNQCLSA-N 0 3 250.345 3.718 20 30 CHEDHN C=C[C@@H]1CCCCN1CCC(=O)c1ccc(C)cc1 ZINC000489460117 332053853 /nfs/dbraw/zinc/05/38/53/332053853.db2.gz GPEYUNHVLOLVPR-MRXNPFEDSA-N 0 3 257.377 3.608 20 30 CHEDHN CC[C@@H](C)[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000491598432 332242193 /nfs/dbraw/zinc/24/21/93/332242193.db2.gz GSPZRBYOOHXIND-GHMZBOCLSA-N 0 3 295.224 3.845 20 30 CHEDHN C#CCN(Cc1cnc(-c2ccncc2)s1)C1CCCC1 ZINC000491792973 332353296 /nfs/dbraw/zinc/35/32/96/332353296.db2.gz ITODZZYSUSUFIJ-UHFFFAOYSA-N 0 3 297.427 3.583 20 30 CHEDHN Cc1nc2ccc(CNCc3cccc(C#N)c3)cc2s1 ZINC000494037914 332461718 /nfs/dbraw/zinc/46/17/18/332461718.db2.gz MJFDAUZYUJSSFF-UHFFFAOYSA-N 0 3 293.395 3.766 20 30 CHEDHN C[C@@H](NCCCc1ccccc1)c1ccc(C#N)cc1F ZINC000512618638 332976139 /nfs/dbraw/zinc/97/61/39/332976139.db2.gz JLBRYWTXLNKUHL-CQSZACIVSA-N 0 3 282.362 3.981 20 30 CHEDHN CCCC(O)(CCC)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512643657 332977476 /nfs/dbraw/zinc/97/74/76/332977476.db2.gz XXWVQUSRIAYDBE-ZDUSSCGKSA-N 0 3 292.398 3.679 20 30 CHEDHN C=CCOCCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000305503701 332994068 /nfs/dbraw/zinc/99/40/68/332994068.db2.gz HCDHUBJKHUDFKE-OAHLLOKOSA-N 0 3 265.784 3.583 20 30 CHEDHN C=C[C@@H](C)N[C@H]1CCc2sc(Br)cc21 ZINC000307639578 333015259 /nfs/dbraw/zinc/01/52/59/333015259.db2.gz FUVXBDUKAAAXFM-APPZFPTMSA-N 0 3 272.211 3.662 20 30 CHEDHN CC(C)C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000307823426 333017513 /nfs/dbraw/zinc/01/75/13/333017513.db2.gz DLCHFLSHHVSUAA-CQSZACIVSA-N 0 3 260.356 3.565 20 30 CHEDHN C=CCC[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccco1 ZINC000513707399 333034093 /nfs/dbraw/zinc/03/40/93/333034093.db2.gz CDQCHAYKBDFPMA-UONOGXRCSA-N 0 3 293.407 3.997 20 30 CHEDHN C=CC[C@@H](CC)NCc1sccc1Br ZINC000308589385 333035950 /nfs/dbraw/zinc/03/59/50/333035950.db2.gz JRSZMJCUFWVQDG-SECBINFHSA-N 0 3 274.227 3.955 20 30 CHEDHN C=CCOc1ccccc1CNc1ccnc2ccccc21 ZINC000517670117 333105527 /nfs/dbraw/zinc/10/55/27/333105527.db2.gz SHGRBJMPIOFREM-UHFFFAOYSA-N 0 3 290.366 3.834 20 30 CHEDHN CCN(C[C@H](C)C#N)CC1CCC(C(F)(F)F)CC1 ZINC000185499460 333142054 /nfs/dbraw/zinc/14/20/54/333142054.db2.gz QXODNCXVOGVAQW-PNESKVBLSA-N 0 3 276.346 3.837 20 30 CHEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000185406152 333140196 /nfs/dbraw/zinc/14/01/96/333140196.db2.gz QOWRWVUTPYWNPG-RDJZCZTQSA-N 0 3 298.430 3.600 20 30 CHEDHN C[C@@]1(Cc2ccccc2)CCCN1Cc1ccc(C#N)o1 ZINC000185668009 333146215 /nfs/dbraw/zinc/14/62/15/333146215.db2.gz WAAWOIZTKOIXOH-SFHVURJKSA-N 0 3 280.371 3.748 20 30 CHEDHN N#Cc1cccc(CN2CC[C@H](c3ccccc3)C2)c1F ZINC000219519239 333151671 /nfs/dbraw/zinc/15/16/71/333151671.db2.gz LBRWNOPUPNWUEV-INIZCTEOSA-N 0 3 280.346 3.687 20 30 CHEDHN C=C(C)[C@@H](N[C@H](CC)COC)c1ccc(F)c(F)c1 ZINC000186449513 333161162 /nfs/dbraw/zinc/16/11/62/333161162.db2.gz TVRQCBLJVMJMEJ-IUODEOHRSA-N 0 3 269.335 3.597 20 30 CHEDHN C=C(C)[C@@H](N[C@H](COC)C1CC1)c1ccc(F)c(F)c1 ZINC000186448479 333161229 /nfs/dbraw/zinc/16/12/29/333161229.db2.gz HIZFBWRONOURDN-HZPDHXFCSA-N 0 3 281.346 3.597 20 30 CHEDHN CCN(CCOc1cccc(C#N)c1)Cc1ccc(C)cc1 ZINC000521859796 333193986 /nfs/dbraw/zinc/19/39/86/333193986.db2.gz SSZJYIKPPKLGSA-UHFFFAOYSA-N 0 3 294.398 3.768 20 30 CHEDHN CC(C)c1ccc(CN(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191173556 333216454 /nfs/dbraw/zinc/21/64/54/333216454.db2.gz CJEQYKDIOSLKGD-UHFFFAOYSA-N 0 3 281.403 3.652 20 30 CHEDHN C(#Cc1ccccc1)CN[C@H](c1ccccc1)C1CC1 ZINC000192163731 333231337 /nfs/dbraw/zinc/23/13/37/333231337.db2.gz CZYSOXUZMAHFDJ-LJQANCHMSA-N 0 3 261.368 3.779 20 30 CHEDHN Cc1cc(CN2CCC(C)(C#N)CC2)c2ccccc2n1 ZINC000227354457 333281456 /nfs/dbraw/zinc/28/14/56/333281456.db2.gz JIWSHJILHCMRGM-UHFFFAOYSA-N 0 3 279.387 3.669 20 30 CHEDHN CC#CCCNCc1cc(Br)c(Cl)s1 ZINC000227855672 333289399 /nfs/dbraw/zinc/28/93/99/333289399.db2.gz WXMPHJVNIXBFIT-UHFFFAOYSA-N 0 3 292.629 3.667 20 30 CHEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000522977108 333302703 /nfs/dbraw/zinc/30/27/03/333302703.db2.gz WWAAHDQVAIAIKY-ABAIWWIYSA-N 0 3 290.794 3.847 20 30 CHEDHN C=CCCCN(C)Cc1ccc(Br)cc1F ZINC000523010513 333304280 /nfs/dbraw/zinc/30/42/80/333304280.db2.gz IURBLRGJGNMJST-UHFFFAOYSA-N 0 3 286.188 3.986 20 30 CHEDHN C=CCC[C@H](C)NCc1c(Cl)cccc1OC ZINC000234927000 333363178 /nfs/dbraw/zinc/36/31/78/333363178.db2.gz QXQGCFHTSHTGTH-NSHDSACASA-N 0 3 253.773 3.793 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N(Cc2ccc(F)cc2C#N)C1 ZINC000525124778 333399828 /nfs/dbraw/zinc/39/98/28/333399828.db2.gz JRJSVFATDATWJU-OLZOCXBDSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000173925066 335143668 /nfs/dbraw/zinc/14/36/68/335143668.db2.gz LOFIIFKBZXZSDZ-VKJFTORMSA-N 0 3 286.419 3.804 20 30 CHEDHN C=CCCOCCN[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000537952038 333549866 /nfs/dbraw/zinc/54/98/66/333549866.db2.gz NUXMTFCTFAVWRB-GUYCJALGSA-N 0 3 277.383 3.631 20 30 CHEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000538194764 333578526 /nfs/dbraw/zinc/57/85/26/333578526.db2.gz LKUTZFSQHJDDRB-GHMZBOCLSA-N 0 3 288.218 3.829 20 30 CHEDHN C[C@@H](COc1cccc(F)c1)N[C@@H](C)c1cccc(C#N)c1 ZINC000538397101 333588738 /nfs/dbraw/zinc/58/87/38/333588738.db2.gz PZLYMDLEQZXLKB-KBPBESRZSA-N 0 3 298.361 3.815 20 30 CHEDHN N#Cc1cccc(CNC/C=C/c2ccc(F)cc2)c1 ZINC000126683563 333602725 /nfs/dbraw/zinc/60/27/25/333602725.db2.gz OBHZWVBOZQHDBG-GORDUTHDSA-N 0 3 266.319 3.500 20 30 CHEDHN C=C(C)COCCN[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000539060533 333653439 /nfs/dbraw/zinc/65/34/39/333653439.db2.gz TUQBHGKPTQXDQD-DYVFJYSZSA-N 0 3 277.383 3.631 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1cc(Cl)ccc1OCC ZINC000539062825 333653927 /nfs/dbraw/zinc/65/39/27/333653927.db2.gz GIPXGCGSMPRLNU-ZDUSSCGKSA-N 0 3 297.826 3.982 20 30 CHEDHN CCCCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000539512160 333675567 /nfs/dbraw/zinc/67/55/67/333675567.db2.gz MXVAXNYUJOBRLH-HUUCEWRRSA-N 0 3 292.448 3.693 20 30 CHEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000128554806 333686154 /nfs/dbraw/zinc/68/61/54/333686154.db2.gz JRSCYVVSQKDKMN-OALUTQOASA-N 0 3 299.389 3.832 20 30 CHEDHN Cc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540702613 333742538 /nfs/dbraw/zinc/74/25/38/333742538.db2.gz XTNPLJLXYYUDMI-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN CO[C@@H](C)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541089068 333762052 /nfs/dbraw/zinc/76/20/52/333762052.db2.gz ICJNTCNYFUTCFK-GJZGRUSLSA-N 0 3 294.398 3.911 20 30 CHEDHN CC[C@H]1Cc2ccccc2CN1CCC(C)(C)C#N ZINC000546638965 334042682 /nfs/dbraw/zinc/04/26/82/334042682.db2.gz CARCXBHLZOLQSY-INIZCTEOSA-N 0 3 256.393 3.763 20 30 CHEDHN CC(C)CSCCN[C@H](C)c1cccc(C#N)c1 ZINC000341776402 335172038 /nfs/dbraw/zinc/17/20/38/335172038.db2.gz NACILIPFUITHAM-CYBMUJFWSA-N 0 3 262.422 3.598 20 30 CHEDHN CC[C@H]1CCCCCN1Cc1cc(C#N)ccc1OC ZINC000135397380 334128813 /nfs/dbraw/zinc/12/88/13/334128813.db2.gz IMURYIZAFMOXSY-INIZCTEOSA-N 0 3 272.392 3.721 20 30 CHEDHN CCOc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000135674075 334135883 /nfs/dbraw/zinc/13/58/83/334135883.db2.gz NGLURDPULIXQNM-LBPRGKRZSA-N 0 3 286.400 3.869 20 30 CHEDHN C=CCCN(CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000549345760 334190514 /nfs/dbraw/zinc/19/05/14/334190514.db2.gz RPTUAIHETVLKAA-OAHLLOKOSA-N 0 3 274.408 3.610 20 30 CHEDHN C=CCOCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000549345324 334190625 /nfs/dbraw/zinc/19/06/25/334190625.db2.gz WSNZBTUMKZOCCY-HNNXBMFYSA-N 0 3 265.784 3.680 20 30 CHEDHN CCN(Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000551406429 334249612 /nfs/dbraw/zinc/24/96/12/334249612.db2.gz LAZCXMVLHYFWLE-UHFFFAOYSA-N 0 3 262.784 3.976 20 30 CHEDHN C=CCNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551576686 334254950 /nfs/dbraw/zinc/25/49/50/334254950.db2.gz XZTQDDXAZLPNMI-UHFFFAOYSA-N 0 3 264.781 3.739 20 30 CHEDHN C=CCC[C@H](NCCN1CCC[C@H](C)C1)c1ccco1 ZINC000552254625 334309454 /nfs/dbraw/zinc/30/94/54/334309454.db2.gz NYOLELHYHALUAQ-HOTGVXAUSA-N 0 3 276.424 3.608 20 30 CHEDHN CCOc1cccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248912929 334321724 /nfs/dbraw/zinc/32/17/24/334321724.db2.gz VQCNQDKODFTTJH-LZWOXQAQSA-N 0 3 272.392 3.818 20 30 CHEDHN CC(C)[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCS1 ZINC000249416306 334333561 /nfs/dbraw/zinc/33/35/61/334333561.db2.gz ZKYLHTKZXXRCKJ-CZUORRHYSA-N 0 3 274.433 3.693 20 30 CHEDHN Cc1nc2c(s1)[C@@H](NCc1ccc(CC#N)cc1)CCC2 ZINC000564727448 334518264 /nfs/dbraw/zinc/51/82/64/334518264.db2.gz BXWVIAGHVLBTOY-HNNXBMFYSA-N 0 3 297.427 3.685 20 30 CHEDHN C[C@H](Nc1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000565807270 334598591 /nfs/dbraw/zinc/59/85/91/334598591.db2.gz OEEUUVZEFUSWBP-SCLBCKFNSA-N 0 3 297.377 3.801 20 30 CHEDHN COc1cc(CN[C@@H]2CCc3ccc(C)cc32)ccc1C#N ZINC000568699668 334836866 /nfs/dbraw/zinc/83/68/66/334836866.db2.gz BUMHORLXLZPJSM-GOSISDBHSA-N 0 3 292.382 3.652 20 30 CHEDHN CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cn1 ZINC000576885478 335260612 /nfs/dbraw/zinc/26/06/12/335260612.db2.gz UEDHRLAZCUSECY-SFHVURJKSA-N 0 3 297.377 3.921 20 30 CHEDHN C=CCC[C@@H](NCCOC(C)(C)C)c1ccco1 ZINC000577012189 335281778 /nfs/dbraw/zinc/28/17/78/335281778.db2.gz MSBCJDWQRDFMLP-CYBMUJFWSA-N 0 3 251.370 3.692 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000577146601 335308299 /nfs/dbraw/zinc/30/82/99/335308299.db2.gz HHOSHHLDAWSCQJ-HOCLYGCPSA-N 0 3 288.822 3.945 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000577146597 335308345 /nfs/dbraw/zinc/30/83/45/335308345.db2.gz HHOSHHLDAWSCQJ-GDBMZVCRSA-N 0 3 288.822 3.945 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000580691337 335328041 /nfs/dbraw/zinc/32/80/41/335328041.db2.gz BCLYUHOVSQPYHH-LSDHHAIUSA-N 0 3 274.795 3.869 20 30 CHEDHN COc1ccc2c(c1)CCC[C@H]2N(C)CCC(C)(C)C#N ZINC000577283934 335335228 /nfs/dbraw/zinc/33/52/28/335335228.db2.gz KJJVHTWOJPETBM-QGZVFWFLSA-N 0 3 286.419 3.944 20 30 CHEDHN Cc1ccnc([C@@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000577409183 335349656 /nfs/dbraw/zinc/34/96/56/335349656.db2.gz RTBGOOMYSCUNHR-MAUKXSAKSA-N 0 3 291.398 3.812 20 30 CHEDHN CC[C@@H](CNCc1cccc(C#N)c1)Oc1ccccc1F ZINC000176990557 335352236 /nfs/dbraw/zinc/35/22/36/335352236.db2.gz IPPXPCQUCDMNGC-INIZCTEOSA-N 0 3 298.361 3.645 20 30 CHEDHN COc1ccc([C@H](NCc2cc(C#N)cs2)C2CC2)cc1 ZINC000177682550 335378406 /nfs/dbraw/zinc/37/84/06/335378406.db2.gz YEWWDBCNFMLFJC-QGZVFWFLSA-N 0 3 298.411 3.869 20 30 CHEDHN C[C@@H](CNCc1cc(C#N)cs1)Sc1ccccc1 ZINC000177707415 335380460 /nfs/dbraw/zinc/38/04/60/335380460.db2.gz FXYJIMQNDCHUGF-LBPRGKRZSA-N 0 3 288.441 3.890 20 30 CHEDHN C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)cc1 ZINC000179395020 335491742 /nfs/dbraw/zinc/49/17/42/335491742.db2.gz XCOCRGSVJBWHCS-KUHUBIRLSA-N 0 3 276.383 3.971 20 30 CHEDHN C=CCC[C@H](NCC(=O)NC(C)(C)CC)c1ccccc1 ZINC000180047610 335544781 /nfs/dbraw/zinc/54/47/81/335544781.db2.gz DVICBQILTCUEMP-INIZCTEOSA-N 0 3 288.435 3.588 20 30 CHEDHN COc1cc(C)ccc1CN1CCC(CCC#N)CC1 ZINC000578194051 335552145 /nfs/dbraw/zinc/55/21/45/335552145.db2.gz GWBAMJWEFBKJIR-UHFFFAOYSA-N 0 3 272.392 3.519 20 30 CHEDHN CC(C)[C@@H]1CCC[C@H](NC[C@H](C#N)CCC#N)CC1 ZINC000578642442 335658199 /nfs/dbraw/zinc/65/81/99/335658199.db2.gz HARXXCLWICQXSQ-XHSDSOJGSA-N 0 3 261.413 3.624 20 30 CHEDHN C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000181991809 335793821 /nfs/dbraw/zinc/79/38/21/335793821.db2.gz HDTMVTAVGDWEAY-RLFYNMQTSA-N 0 3 286.419 3.804 20 30 CHEDHN C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000181991770 335793856 /nfs/dbraw/zinc/79/38/56/335793856.db2.gz HDTMVTAVGDWEAY-MPGHIAIKSA-N 0 3 286.419 3.804 20 30 CHEDHN C[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1C#N ZINC000383356400 336107766 /nfs/dbraw/zinc/10/77/66/336107766.db2.gz QMRMCVRKOMPDNZ-QMTHXVAHSA-N 0 3 293.208 3.599 20 30 CHEDHN CC(C)(NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000383500114 336111103 /nfs/dbraw/zinc/11/11/03/336111103.db2.gz ZQSXJFBSUXOSLA-UHFFFAOYSA-N 0 3 268.335 3.722 20 30 CHEDHN CC[C@@H](CC#N)N[C@H](C)CCSc1ccccc1 ZINC000582011674 336191746 /nfs/dbraw/zinc/19/17/46/336191746.db2.gz KCEFWVBXRXNWFQ-KGLIPLIRSA-N 0 3 262.422 3.839 20 30 CHEDHN Cc1c(CNC(=O)C(C)C#N)sc2ccc(Cl)cc12 ZINC000336167501 533862249 /nfs/dbraw/zinc/86/22/49/533862249.db2.gz ILWUUTXBXHMYHY-MRVPVSSYSA-N 0 3 292.791 3.639 20 30 CHEDHN Cc1ccncc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000334667641 534419110 /nfs/dbraw/zinc/41/91/10/534419110.db2.gz LXKFJVMVMZRYOQ-LJQANCHMSA-N 0 3 291.398 3.819 20 30 CHEDHN CCSCC[C@@H](C)N(C)Cc1cccc(C#N)c1F ZINC000340834101 521712066 /nfs/dbraw/zinc/71/20/66/521712066.db2.gz NXDKYBFWDZPJEB-GFCCVEGCSA-N 0 3 280.412 3.661 20 30 CHEDHN N#CCCCNCc1c(OC(F)F)ccc2ccccc21 ZINC000344326791 534612272 /nfs/dbraw/zinc/61/22/72/534612272.db2.gz OFHAOWLQYZJRDI-UHFFFAOYSA-N 0 3 290.313 3.835 20 30 CHEDHN N#CCCCN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000346812434 534615716 /nfs/dbraw/zinc/61/57/16/534615716.db2.gz WUNQWMLWKJSJNN-LBPRGKRZSA-N 0 3 269.175 3.874 20 30 CHEDHN CC[C@@H](NCc1cccc(N(C)C)c1)c1ccc(C#N)cc1 ZINC000278742329 522881128 /nfs/dbraw/zinc/88/11/28/522881128.db2.gz NKHCNUXMDNAWLC-LJQANCHMSA-N 0 3 293.414 3.865 20 30 CHEDHN COCc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271983326 523055921 /nfs/dbraw/zinc/05/59/21/523055921.db2.gz ZJBJAVSNHCYUGM-ZDUSSCGKSA-N 0 3 298.361 3.695 20 30 CHEDHN COc1ccc(CN(C)[C@H](C)c2cccs2)cc1C#N ZINC000087833267 524010368 /nfs/dbraw/zinc/01/03/68/524010368.db2.gz HTUXCZZTVHYAMN-GFCCVEGCSA-N 0 3 286.400 3.821 20 30 CHEDHN N#Cc1csc(CN2CC[C@H](c3ccccc3F)C2)c1 ZINC000353635296 534829171 /nfs/dbraw/zinc/82/91/71/534829171.db2.gz ZKAVWAPUBKUCTQ-ZDUSSCGKSA-N 0 3 286.375 3.748 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278610222 526036090 /nfs/dbraw/zinc/03/60/90/526036090.db2.gz FJMAUQGSFUJIEB-WCQYABFASA-N 0 3 282.309 3.894 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1cnn(CCC)c1 ZINC000352754148 526314788 /nfs/dbraw/zinc/31/47/88/526314788.db2.gz GVXYVJFVNHURLN-UHFFFAOYSA-N 0 3 283.419 3.524 20 30 CHEDHN C=CCN(Cc1ccc(OC)cc1)CC1(SC)CC1 ZINC000347632272 526340406 /nfs/dbraw/zinc/34/04/06/526340406.db2.gz AMCSLIJHKJDUFO-UHFFFAOYSA-N 0 3 277.433 3.579 20 30 CHEDHN C=CCN(Cc1cccs1)CC1CC(OCC)C1 ZINC000352096765 526377965 /nfs/dbraw/zinc/37/79/65/526377965.db2.gz JSZUJUBKJWNNKB-UHFFFAOYSA-N 0 3 265.422 3.551 20 30 CHEDHN C=CC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000353607191 526980296 /nfs/dbraw/zinc/98/02/96/526980296.db2.gz OXHIISBFJHFVGH-UHFFFAOYSA-N 0 3 285.416 3.603 20 30 CHEDHN CC(C)(CCc1ccccc1)NCc1nc(C#N)cs1 ZINC000352843111 527063169 /nfs/dbraw/zinc/06/31/69/527063169.db2.gz XNLKIJGVTUUQOK-UHFFFAOYSA-N 0 3 285.416 3.516 20 30 CHEDHN C=CC[C@@H]1N(Cc2cncc(F)c2)CCCC1(C)C ZINC000347132585 527118775 /nfs/dbraw/zinc/11/87/75/527118775.db2.gz PURHTDQIQIMFEC-HNNXBMFYSA-N 0 3 262.372 3.787 20 30 CHEDHN C=CCCC[C@@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000347635667 527272518 /nfs/dbraw/zinc/27/25/18/527272518.db2.gz LHLYUHQVMIKURC-OCCSQVGLSA-N 0 3 251.370 3.610 20 30 CHEDHN C=CCC[C@@H](NCc1cncn1CC)c1ccccc1 ZINC000417941565 527449002 /nfs/dbraw/zinc/44/90/02/527449002.db2.gz ARZLSFVPGXXEOW-QGZVFWFLSA-N 0 3 269.392 3.700 20 30 CHEDHN CC1(C#N)CCC(N[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000335281345 528833584 /nfs/dbraw/zinc/83/35/84/528833584.db2.gz NCPQCBADPPDSHO-MYBQVCMBSA-N 0 3 272.367 3.686 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894415 946503238 /nfs/dbraw/zinc/50/32/38/946503238.db2.gz PNWREMRLFRFFER-KBPBESRZSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894415 946503250 /nfs/dbraw/zinc/50/32/50/946503250.db2.gz PNWREMRLFRFFER-KBPBESRZSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCCCCN1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001209430734 1118051979 /nfs/dbraw/zinc/05/19/79/1118051979.db2.gz BOGIFHSIRWBFIJ-CVEARBPZSA-N 0 3 263.425 3.957 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cc(Cl)ccc2OC)C1 ZINC001174891625 1121081100 /nfs/dbraw/zinc/08/11/00/1121081100.db2.gz UJWSEAFNZXDVCQ-LBPRGKRZSA-N 0 3 265.784 3.747 20 30 CHEDHN C[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000638900542 1121367147 /nfs/dbraw/zinc/36/71/47/1121367147.db2.gz QISSRDKKYZKWQH-FZMZJTMJSA-N 0 3 299.361 3.541 20 30 CHEDHN CSCC[C@@H](C)N(C)CC#Cc1cccc(Cl)c1 ZINC000440607634 1123021326 /nfs/dbraw/zinc/02/13/26/1123021326.db2.gz FQCFWZVSLNNJIA-CYBMUJFWSA-N 0 3 281.852 3.765 20 30 CHEDHN C#CCCCN[C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856776811 1123567660 /nfs/dbraw/zinc/56/76/60/1123567660.db2.gz IZCPRCDYPNPVRJ-VIFPVBQESA-N 0 3 290.716 3.818 20 30 CHEDHN CCS[C@@H]1CCCCN(Cc2cc(C#N)cs2)C1 ZINC000093361867 1124115854 /nfs/dbraw/zinc/11/58/54/1124115854.db2.gz ABVGAXYHLOSXFK-CYBMUJFWSA-N 0 3 280.462 3.727 20 30 CHEDHN CCN(Cc1cccc(F)c1C#N)C1CCCCC1 ZINC000428455983 1124126743 /nfs/dbraw/zinc/12/67/43/1124126743.db2.gz FCNAKYVSYKZHCG-UHFFFAOYSA-N 0 3 260.356 3.852 20 30 CHEDHN C#C[C@H]1CC[C@H](NCc2ncc(C(C)C)s2)CC1 ZINC000873198423 1124750369 /nfs/dbraw/zinc/75/03/69/1124750369.db2.gz JTFPKQZVMGOGGR-JOCQHMNTSA-N 0 3 262.422 3.548 20 30 CHEDHN C=C[C@H](C)N[C@H](CC)c1ccccc1OC(F)F ZINC000358308767 1125206589 /nfs/dbraw/zinc/20/65/89/1125206589.db2.gz ZDWYCDBXTFTISN-CMPLNLGQSA-N 0 3 255.308 3.903 20 30 CHEDHN Cc1csc(C(C#N)=C([O-])c2ccc(C)c(C)c2)n1 ZINC000041519700 1125433491 /nfs/dbraw/zinc/43/34/91/1125433491.db2.gz ZRGZZVNFIFSHHS-CYBMUJFWSA-N 0 3 270.357 3.558 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(C)c2)n1 ZINC000041519700 1125433492 /nfs/dbraw/zinc/43/34/92/1125433492.db2.gz ZRGZZVNFIFSHHS-CYBMUJFWSA-N 0 3 270.357 3.558 20 30 CHEDHN C=CCCCCN(C)Cc1cnc(N(CC)CC)s1 ZINC001138802988 1131550683 /nfs/dbraw/zinc/55/06/83/1131550683.db2.gz UKROUBARSBERAO-UHFFFAOYSA-N 0 3 281.469 3.777 20 30 CHEDHN C[C@@H]1CCCCCN1Cc1cccc(C#N)c1Cl ZINC001140811182 1131931943 /nfs/dbraw/zinc/93/19/43/1131931943.db2.gz MBSVIEWHHSNOPX-GFCCVEGCSA-N 0 3 262.784 3.976 20 30 CHEDHN C=CCN(CC=C)CCc1ccc(F)cc1Cl ZINC001209113752 1133977639 /nfs/dbraw/zinc/97/76/39/1133977639.db2.gz XARSTQZLHWOHAW-UHFFFAOYSA-N 0 3 253.748 3.696 20 30 CHEDHN CCN(CCC(C)(C)C#N)[C@@H](C)c1cccc(O)c1 ZINC000119672102 1125536385 /nfs/dbraw/zinc/53/63/85/1125536385.db2.gz QKDLJZRDWYRBJR-ZDUSSCGKSA-N 0 3 260.381 3.715 20 30 CHEDHN CSc1ccc(CNCc2csc(C)c2)cc1C#N ZINC000886276940 1125665522 /nfs/dbraw/zinc/66/55/22/1125665522.db2.gz AUQSTXHRBJTDFX-UHFFFAOYSA-N 0 3 288.441 3.940 20 30 CHEDHN C#CC[C@H]1CCN(Cc2nc(-c3ccsc3)oc2C)C1 ZINC000886357194 1125673031 /nfs/dbraw/zinc/67/30/31/1125673031.db2.gz CJGKXLJTBHLDIV-ZDUSSCGKSA-N 0 3 286.400 3.557 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000076801908 1125685679 /nfs/dbraw/zinc/68/56/79/1125685679.db2.gz YXZXKUGCPOUCKT-MRXNPFEDSA-N 0 3 288.435 3.837 20 30 CHEDHN Cc1cc(C)cc(C2=CCN(CCCC#N)CC2)c1 ZINC000092428479 1125757458 /nfs/dbraw/zinc/75/74/58/1125757458.db2.gz BTJRGHSYAMLBGE-UHFFFAOYSA-N 0 3 254.377 3.696 20 30 CHEDHN CO[C@H](CN1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000338303872 1126732950 /nfs/dbraw/zinc/73/29/50/1126732950.db2.gz OUCNSKDOYKIPQP-OAHLLOKOSA-N 0 3 292.810 3.653 20 30 CHEDHN COc1ccc([C@@H](C)N(C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000160661833 1126765962 /nfs/dbraw/zinc/76/59/62/1126765962.db2.gz XIRJECNIUUWODM-CYBMUJFWSA-N 0 3 298.361 3.899 20 30 CHEDHN C=CCN(CCOC)Cc1cc2ccccc2s1 ZINC000483424408 1126786673 /nfs/dbraw/zinc/78/66/73/1126786673.db2.gz DIYKJITVJNPCON-UHFFFAOYSA-N 0 3 261.390 3.536 20 30 CHEDHN C[C@]1(c2ccccc2)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000483923112 1126805626 /nfs/dbraw/zinc/80/56/26/1126805626.db2.gz KQSZGBPIBPIOMG-IBGZPJMESA-N 0 3 294.373 3.861 20 30 CHEDHN C=CCN(CCOC)[C@H](C)c1cccc(Br)c1 ZINC000484577056 1126829395 /nfs/dbraw/zinc/82/93/95/1126829395.db2.gz SAYDAEAORWLZFT-GFCCVEGCSA-N 0 3 298.224 3.645 20 30 CHEDHN N#CCOc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000180559198 1126846414 /nfs/dbraw/zinc/84/64/14/1126846414.db2.gz ZELJEAVTCLNABZ-GOSISDBHSA-N 0 3 296.345 3.505 20 30 CHEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1C ZINC000181609866 1126858779 /nfs/dbraw/zinc/85/87/79/1126858779.db2.gz FZFNDXUBKCIIHL-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1[O-] ZINC000183326551 1126884539 /nfs/dbraw/zinc/88/45/39/1126884539.db2.gz SLAAHHAMJIGWPO-KRWDZBQOSA-N 0 3 296.370 3.535 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCCSC2)cc1 ZINC000183614198 1126889629 /nfs/dbraw/zinc/88/96/29/1126889629.db2.gz SHDMRZCZEMUPFX-CQSZACIVSA-N 0 3 299.361 3.542 20 30 CHEDHN N#CCCNCCCCCCOc1ccc(Cl)cc1 ZINC000819236087 1131239080 /nfs/dbraw/zinc/23/90/80/1131239080.db2.gz CMNYLUDJPRTGEE-UHFFFAOYSA-N 0 3 280.799 3.782 20 30 CHEDHN C=CCCCN(C)Cc1cnc(-c2ccco2)s1 ZINC000194406856 1126974789 /nfs/dbraw/zinc/97/47/89/1126974789.db2.gz YESHZDNWXPCBKR-UHFFFAOYSA-N 0 3 262.378 3.801 20 30 CHEDHN Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)s1 ZINC000267235446 1126995591 /nfs/dbraw/zinc/99/55/91/1126995591.db2.gz WMPNLGOLFNJCFC-INIZCTEOSA-N 0 3 268.385 3.705 20 30 CHEDHN CCN(Cc1cccs1)Cc1ccc(C#N)c(C)c1 ZINC000486798383 1127003808 /nfs/dbraw/zinc/00/38/08/1127003808.db2.gz BTIDZUFWCZKBLM-UHFFFAOYSA-N 0 3 270.401 3.950 20 30 CHEDHN Cc1cc(F)ccc1CN(C)Cc1ccc(CC#N)cc1 ZINC000488056864 1127054494 /nfs/dbraw/zinc/05/44/94/1127054494.db2.gz VHRKAQHSXCMURC-UHFFFAOYSA-N 0 3 282.362 3.832 20 30 CHEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC001320427927 1127067212 /nfs/dbraw/zinc/06/72/12/1127067212.db2.gz NRAJDFGUYQCMOT-HOCLYGCPSA-N 0 3 277.408 3.573 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000924844888 1127096140 /nfs/dbraw/zinc/09/61/40/1127096140.db2.gz CAHVCQXXAGHBGR-OIISXLGYSA-N 0 3 286.419 3.825 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCSc3c(F)cccc32)C1 ZINC000349339460 1127148259 /nfs/dbraw/zinc/14/82/59/1127148259.db2.gz CXALVOKXHITRNU-JTNHKYCSSA-N 0 3 276.380 3.644 20 30 CHEDHN CC(C)[C@@H](CNCc1nc(C#N)cs1)Cc1ccccc1 ZINC000571964710 1127184162 /nfs/dbraw/zinc/18/41/62/1127184162.db2.gz OZQUKGRFDOJRCQ-OAHLLOKOSA-N 0 3 299.443 3.619 20 30 CHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(C#N)c1 ZINC000589340437 1127217455 /nfs/dbraw/zinc/21/74/55/1127217455.db2.gz DSPZOLXBAFDMAP-YJYMSZOUSA-N 0 3 287.366 3.768 20 30 CHEDHN CCc1ccc([C@@H]2CCN(Cc3ccnc(C#N)c3)C2)cc1 ZINC000590119706 1127248606 /nfs/dbraw/zinc/24/86/06/1127248606.db2.gz MEDOMQTXPDUKCE-GOSISDBHSA-N 0 3 291.398 3.505 20 30 CHEDHN N#Cc1ccc(CNCCn2ccc3cc(Cl)ccc32)o1 ZINC000352900811 1127249089 /nfs/dbraw/zinc/24/90/89/1127249089.db2.gz ILNLHWPOFVWQPU-UHFFFAOYSA-N 0 3 299.761 3.549 20 30 CHEDHN N#Cc1csc(CNC2CCC3(CCCCC3)CC2)n1 ZINC000352910671 1127250597 /nfs/dbraw/zinc/25/05/97/1127250597.db2.gz YQLVUWCVWDUJTF-UHFFFAOYSA-N 0 3 289.448 3.997 20 30 CHEDHN C=CCN1CCC(Nc2cccc(C(F)F)c2C#N)CC1 ZINC000590579183 1127263704 /nfs/dbraw/zinc/26/37/04/1127263704.db2.gz RCEQOEBXIJUIJB-UHFFFAOYSA-N 0 3 291.345 3.558 20 30 CHEDHN CN(Cc1ccc(C#N)cc1F)C1CCC(F)(F)CC1 ZINC000286933057 1127275969 /nfs/dbraw/zinc/27/59/69/1127275969.db2.gz LJSJMYODTIIRSG-UHFFFAOYSA-N 0 3 282.309 3.707 20 30 CHEDHN CC(C)n1cc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353916951 1127278121 /nfs/dbraw/zinc/27/81/21/1127278121.db2.gz SIQOQOVRCKQARV-SFHVURJKSA-N 0 3 296.418 3.989 20 30 CHEDHN Cc1ccncc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353917944 1127278715 /nfs/dbraw/zinc/27/87/15/1127278715.db2.gz WDZFBGUAXCIOBO-SFHVURJKSA-N 0 3 279.387 3.915 20 30 CHEDHN Cc1ccncc1[C@@H](C)NCCC1(C#N)CCCCC1 ZINC000591026642 1127284166 /nfs/dbraw/zinc/28/41/66/1127284166.db2.gz PSMAVJOZMKGALD-OAHLLOKOSA-N 0 3 271.408 3.905 20 30 CHEDHN N#CC1(CCN2CCC[C@@H](OC(F)F)C2)CCCCC1 ZINC000591026210 1127284306 /nfs/dbraw/zinc/28/43/06/1127284306.db2.gz PBZNUYYEYAVBQY-CYBMUJFWSA-N 0 3 286.366 3.554 20 30 CHEDHN CN(Cc1ccncc1C#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000592125152 1127337135 /nfs/dbraw/zinc/33/71/35/1127337135.db2.gz RBXDKFDUYVRYFD-HOTGVXAUSA-N 0 3 271.408 3.600 20 30 CHEDHN C#Cc1ccc(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)cc1 ZINC000289873483 1127385586 /nfs/dbraw/zinc/38/55/86/1127385586.db2.gz WIDJIURKDOZCCH-AWEZNQCLSA-N 0 3 295.430 3.779 20 30 CHEDHN C[C@@H](CCc1ccccc1F)NCC1(C#N)CCCC1 ZINC000593653468 1127392642 /nfs/dbraw/zinc/39/26/42/1127392642.db2.gz MDEGCJJIYFAMNP-AWEZNQCLSA-N 0 3 274.383 3.820 20 30 CHEDHN C[C@H](CCc1ccsc1)NCC1(C#N)CCCC1 ZINC000593653182 1127392854 /nfs/dbraw/zinc/39/28/54/1127392854.db2.gz FCAFEGAYEKSDRI-CYBMUJFWSA-N 0 3 262.422 3.743 20 30 CHEDHN Cc1ccccc1C1CC(NCC2(C#N)CCCC2)C1 ZINC000593653592 1127393439 /nfs/dbraw/zinc/39/34/39/1127393439.db2.gz RCKOBRWVXDQMGU-UHFFFAOYSA-N 0 3 268.404 3.915 20 30 CHEDHN COc1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594032406 1127406166 /nfs/dbraw/zinc/40/61/66/1127406166.db2.gz HAGNTCUATORDJH-UHFFFAOYSA-N 0 3 292.382 3.736 20 30 CHEDHN CC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1F ZINC000594508791 1127419591 /nfs/dbraw/zinc/41/95/91/1127419591.db2.gz WGFQOKCYORUVSG-WOSRLPQWSA-N 0 3 260.356 3.949 20 30 CHEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000594518656 1127421086 /nfs/dbraw/zinc/42/10/86/1127421086.db2.gz IVOHXEDBIHYNHU-DQYPLSBCSA-N 0 3 290.382 3.696 20 30 CHEDHN N#CC1(c2ccc(CNCc3ccc(F)c(F)c3)cc2)CC1 ZINC000594919062 1127435436 /nfs/dbraw/zinc/43/54/36/1127435436.db2.gz WFKADZNIRQQYAR-UHFFFAOYSA-N 0 3 298.336 3.810 20 30 CHEDHN N#CC1(c2ccc(CNCc3ccccc3)cc2)CC1 ZINC000594922256 1127435496 /nfs/dbraw/zinc/43/54/96/1127435496.db2.gz JMFJEAKAAWPFRK-UHFFFAOYSA-N 0 3 262.356 3.532 20 30 CHEDHN N#CC1(CNC[C@@H]2CCOc3ccccc32)CCCCC1 ZINC000594981246 1127442982 /nfs/dbraw/zinc/44/29/82/1127442982.db2.gz LYBWGPOVDIKVED-HNNXBMFYSA-N 0 3 284.403 3.616 20 30 CHEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000595093638 1127454974 /nfs/dbraw/zinc/45/49/74/1127454974.db2.gz DQLUQEJYEQYLRD-SJCJKPOMSA-N 0 3 290.382 3.553 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CC=CC1 ZINC000595336509 1127458816 /nfs/dbraw/zinc/45/88/16/1127458816.db2.gz ZKGZMIOOLLFQIJ-ZWKOTPCHSA-N 0 3 266.388 3.724 20 30 CHEDHN CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595616735 1127467847 /nfs/dbraw/zinc/46/78/47/1127467847.db2.gz WQBPIWGVBWVYED-XJKSGUPXSA-N 0 3 260.356 3.902 20 30 CHEDHN CC[C@@H](OCCN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595622881 1127468902 /nfs/dbraw/zinc/46/89/02/1127468902.db2.gz FHXZHAREMSKOGT-FUHWJXTLSA-N 0 3 286.419 3.780 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000595602061 1127469614 /nfs/dbraw/zinc/46/96/14/1127469614.db2.gz GZYVKJAQOMBXQS-BBRMVZONSA-N 0 3 299.374 3.691 20 30 CHEDHN N#CC[C@H]1CCCN(CCOc2ccc3ccccc3c2)C1 ZINC000595610403 1127470366 /nfs/dbraw/zinc/47/03/66/1127470366.db2.gz XWSIKAQVHSKQMR-MRXNPFEDSA-N 0 3 294.398 3.844 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC000595613199 1127470450 /nfs/dbraw/zinc/47/04/50/1127470450.db2.gz ARSSHTZIXCBDGN-HNNXBMFYSA-N 0 3 281.403 3.613 20 30 CHEDHN CC(C)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000595614324 1127470484 /nfs/dbraw/zinc/47/04/84/1127470484.db2.gz KGIRQCVTJVLFPO-OAHLLOKOSA-N 0 3 272.392 3.599 20 30 CHEDHN CC(C)(C#N)CCN(Cc1ccccc1F)CC1CC1 ZINC000595767087 1127474565 /nfs/dbraw/zinc/47/45/65/1127474565.db2.gz NAHOURFFWRRAQS-UHFFFAOYSA-N 0 3 274.383 3.978 20 30 CHEDHN C=CCC1(NCc2cccc(F)c2C#N)CCCC1 ZINC000595780105 1127476726 /nfs/dbraw/zinc/47/67/26/1127476726.db2.gz HQKUCSZMURJIRV-UHFFFAOYSA-N 0 3 258.340 3.676 20 30 CHEDHN C[C@]1(C#N)CCN(CC2CCC(C(F)(F)F)CC2)C1 ZINC000595844054 1127478075 /nfs/dbraw/zinc/47/80/75/1127478075.db2.gz PRBNZZOYMXMNKG-WXRRBKDZSA-N 0 3 274.330 3.591 20 30 CHEDHN CCC(CC)CN(CCC#N)CCCc1ccncc1 ZINC000360453723 1127499899 /nfs/dbraw/zinc/49/98/99/1127499899.db2.gz FZCMLQDNLFZJHX-UHFFFAOYSA-N 0 3 273.424 3.666 20 30 CHEDHN CC(C)(CCC#N)CN1CC(c2ccccc2F)C1 ZINC000361011007 1127528759 /nfs/dbraw/zinc/52/87/59/1127528759.db2.gz RKULTNQBVOPIMG-UHFFFAOYSA-N 0 3 260.356 3.555 20 30 CHEDHN CC[C@@H](Cc1ccc(Cl)cc1)NCC1(C#N)CC1 ZINC000597122126 1127529080 /nfs/dbraw/zinc/52/90/80/1127529080.db2.gz WAENMDLUPLNJMZ-AWEZNQCLSA-N 0 3 262.784 3.554 20 30 CHEDHN CC[C@H]1COC(C)(C)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597157692 1127530410 /nfs/dbraw/zinc/53/04/10/1127530410.db2.gz IAKFJWMHNSKIBG-KRWDZBQOSA-N 0 3 298.430 3.631 20 30 CHEDHN CC(C)(CCC#N)CN[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361251500 1127551014 /nfs/dbraw/zinc/55/10/14/1127551014.db2.gz NYJCEMXEGSLYPA-CYBMUJFWSA-N 0 3 294.345 3.708 20 30 CHEDHN Cn1cc(CN2CCC[C@H]2/C=C/c2ccccc2)cc1C#N ZINC000361605180 1127576461 /nfs/dbraw/zinc/57/64/61/1127576461.db2.gz XIZHKPPIAAYKTL-BBVFFXRHSA-N 0 3 291.398 3.575 20 30 CHEDHN CCN(Cc1cccc(F)c1N)[C@H](C)c1ccc(C#N)cc1 ZINC000602443744 1127579908 /nfs/dbraw/zinc/57/99/08/1127579908.db2.gz KWESWSQVVHKJSG-CYBMUJFWSA-N 0 3 297.377 3.863 20 30 CHEDHN C[C@@H]1CN(Cc2cccc(C#N)n2)CC[C@@H]1c1ccccc1 ZINC000602476325 1127581180 /nfs/dbraw/zinc/58/11/80/1127581180.db2.gz NAULTCXJUTXILA-BEFAXECRSA-N 0 3 291.398 3.579 20 30 CHEDHN C[C@H](CCC#N)CN[C@H](c1ccccc1)c1ccccn1 ZINC000602499166 1127587147 /nfs/dbraw/zinc/58/71/47/1127587147.db2.gz NRLRITPPRKTLRU-CRAIPNDOSA-N 0 3 279.387 3.700 20 30 CHEDHN C[C@H]1CC[C@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000361765573 1127587707 /nfs/dbraw/zinc/58/77/07/1127587707.db2.gz KWIVGFQTBYXHAK-GUYCJALGSA-N 0 3 272.367 3.709 20 30 CHEDHN CC[C@H](CC#N)N[C@@H](C)CCc1c[nH]c2ccccc12 ZINC000602609259 1127599319 /nfs/dbraw/zinc/59/93/19/1127599319.db2.gz AOPWMYVMYHRXJF-DZGCQCFKSA-N 0 3 269.392 3.771 20 30 CHEDHN C[C@@H](NCC1(C#N)CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000602693008 1127604905 /nfs/dbraw/zinc/60/49/05/1127604905.db2.gz AAYOQACJKCXRBP-FRRDWIJNSA-N 0 3 260.406 3.524 20 30 CHEDHN C#CCOc1ccc(C[NH2+][C@@H](CC)c2ccccc2[O-])cc1 ZINC000294986732 1127612416 /nfs/dbraw/zinc/61/24/16/1127612416.db2.gz KHPICMHWJUFJGA-SFHVURJKSA-N 0 3 295.382 3.645 20 30 CHEDHN COc1ccccc1[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000602775106 1127612869 /nfs/dbraw/zinc/61/28/69/1127612869.db2.gz IFEHUOJZALSPOM-INIZCTEOSA-N 0 3 284.403 3.916 20 30 CHEDHN N#CCC1(CN2CCC(OCC3CCCCC3)CC2)CC1 ZINC000602781161 1127613909 /nfs/dbraw/zinc/61/39/09/1127613909.db2.gz KFOQXDFYSPJOTM-UHFFFAOYSA-N 0 3 290.451 3.742 20 30 CHEDHN CCS[C@H]1CC[C@H](N(C)Cc2cc(C#N)ccc2F)C1 ZINC000362383765 1127631690 /nfs/dbraw/zinc/63/16/90/1127631690.db2.gz BFZBMJNBISBPHK-GJZGRUSLSA-N 0 3 292.423 3.803 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599057506 1127653929 /nfs/dbraw/zinc/65/39/29/1127653929.db2.gz FNWFNCMAXZVDPX-XQQFMLRXSA-N 0 3 278.346 3.842 20 30 CHEDHN Cc1cc(CN2CCC(OCC(C)C)CC2)ccc1C#N ZINC000362918622 1127654425 /nfs/dbraw/zinc/65/44/25/1127654425.db2.gz OILKZILEBHOJIP-UHFFFAOYSA-N 0 3 286.419 3.504 20 30 CHEDHN COc1cccc(CN(C)Cc2ccc(C#N)c(C)c2)c1 ZINC000362959442 1127655861 /nfs/dbraw/zinc/65/58/61/1127655861.db2.gz ZEJVDGCDKRYKCQ-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C#Cc1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000295904606 1127657555 /nfs/dbraw/zinc/65/75/55/1127657555.db2.gz CVKJFLDDADUSCA-KRWDZBQOSA-N 0 3 299.439 3.579 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CCCc3nc(Cl)ccc32)c1 ZINC000295964883 1127658805 /nfs/dbraw/zinc/65/88/05/1127658805.db2.gz MKAPTOZCAZCMOV-OAHLLOKOSA-N 0 3 297.789 3.774 20 30 CHEDHN C#C[C@H](NCc1cc(Br)cs1)C(C)(C)C ZINC000380152820 1127695686 /nfs/dbraw/zinc/69/56/86/1127695686.db2.gz YDTMFTFZNOIOPC-NSHDSACASA-N 0 3 286.238 3.648 20 30 CHEDHN N#CC(C(=O)C[C@H]1CCCc2ccccc21)c1ccccn1 ZINC000171776745 1127727939 /nfs/dbraw/zinc/72/79/39/1127727939.db2.gz QLXXSUQOCYJWAB-WBVHZDCISA-N 0 3 290.366 3.768 20 30 CHEDHN C=CC1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000171952799 1127735191 /nfs/dbraw/zinc/73/51/91/1127735191.db2.gz JZOFDAFVLLMOBD-OAHLLOKOSA-N 0 3 299.336 3.637 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](OC2CCC2)C1 ZINC000594026132 1127770154 /nfs/dbraw/zinc/77/01/54/1127770154.db2.gz DHRRWUWPHSJEOM-KSSFIOAISA-N 0 3 284.403 3.653 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](OC2CCC2)C1 ZINC000594027706 1127771897 /nfs/dbraw/zinc/77/18/97/1127771897.db2.gz YPFLTZFWUCXRQE-KSSFIOAISA-N 0 3 284.403 3.653 20 30 CHEDHN CN(CCC1(C#N)CCCCC1)Cc1ccc(C#N)cc1 ZINC000411134791 1127842865 /nfs/dbraw/zinc/84/28/65/1127842865.db2.gz OXPZTCLZEITJEG-UHFFFAOYSA-N 0 3 281.403 3.854 20 30 CHEDHN C[C@@H](CCC#N)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000411753087 1127872818 /nfs/dbraw/zinc/87/28/18/1127872818.db2.gz FEVKJAGKBOEBNK-GXTWGEPZSA-N 0 3 262.784 3.822 20 30 CHEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CC#N)CC1 ZINC000541024149 1128005489 /nfs/dbraw/zinc/00/54/89/1128005489.db2.gz KTZAYLSLEORKSA-ZDUSSCGKSA-N 0 3 287.363 3.590 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCOc2ccc(F)cc21 ZINC000925382623 1128031096 /nfs/dbraw/zinc/03/10/96/1128031096.db2.gz LUZUKKCJRQGAIS-SMDDNHRTSA-N 0 3 276.355 3.567 20 30 CHEDHN CCc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000469099285 1128034566 /nfs/dbraw/zinc/03/45/66/1128034566.db2.gz XVERZNCIULMOHC-UHFFFAOYSA-N 0 3 264.372 3.753 20 30 CHEDHN C[C@@H]1CN(Cc2cncc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000929716201 1128049033 /nfs/dbraw/zinc/04/90/33/1128049033.db2.gz YADLOTSOBBFDFT-DNVCBOLYSA-N 0 3 291.398 3.579 20 30 CHEDHN C=CCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470000716 1128061455 /nfs/dbraw/zinc/06/14/55/1128061455.db2.gz SFIWVBJCIKDMPC-NSHDSACASA-N 0 3 272.175 3.633 20 30 CHEDHN C[C@@H](N[C@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000271868240 1128072538 /nfs/dbraw/zinc/07/25/38/1128072538.db2.gz MANAIIMAIPUNEW-DNVCBOLYSA-N 0 3 294.398 3.723 20 30 CHEDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000271945682 1128083520 /nfs/dbraw/zinc/08/35/20/1128083520.db2.gz QAZPELHKWFQBRB-ZDUSSCGKSA-N 0 3 297.377 3.614 20 30 CHEDHN C[C@H]1CN(CCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000471022402 1128085032 /nfs/dbraw/zinc/08/50/32/1128085032.db2.gz MZFSNLTUDDWHRN-HNAYVOBHSA-N 0 3 292.382 3.630 20 30 CHEDHN CCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443988720 1128111169 /nfs/dbraw/zinc/11/11/69/1128111169.db2.gz JKBJKUHXGNFLKC-UHFFFAOYSA-N 0 3 280.371 3.555 20 30 CHEDHN CCc1cccc2c1OCC[C@H]2N[C@H](C)CC(C)(C)C#N ZINC000925361360 1128128663 /nfs/dbraw/zinc/12/86/63/1128128663.db2.gz OEJHNKYQCOHJTK-CZUORRHYSA-N 0 3 286.419 3.991 20 30 CHEDHN CC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1c(C)noc1C ZINC000925637425 1128135061 /nfs/dbraw/zinc/13/50/61/1128135061.db2.gz LCOVJMBLVRWRNJ-GXFFZTMASA-N 0 3 263.385 3.661 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000925972353 1128148307 /nfs/dbraw/zinc/14/83/07/1128148307.db2.gz FNWOUCSBJMNZFX-IUODEOHRSA-N 0 3 290.382 3.957 20 30 CHEDHN C[C@@H](NCCCC#N)c1csc(C(F)(F)F)c1 ZINC000926133843 1128156649 /nfs/dbraw/zinc/15/66/49/1128156649.db2.gz TYPPZMKODOZGNC-MRVPVSSYSA-N 0 3 262.300 3.721 20 30 CHEDHN CCC1(CC)CCN(Cc2cccc(C#N)c2F)C1 ZINC000223557582 1128180765 /nfs/dbraw/zinc/18/07/65/1128180765.db2.gz DPJBXQPBEVSDLK-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN Cc1cc(CN2CCC(OC3CCCC3)CC2)ccc1C#N ZINC000487883953 1128263624 /nfs/dbraw/zinc/26/36/24/1128263624.db2.gz SZMJNLRJXRMYSR-UHFFFAOYSA-N 0 3 298.430 3.790 20 30 CHEDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)c([O-])c1 ZINC000926967868 1128206485 /nfs/dbraw/zinc/20/64/85/1128206485.db2.gz XPJWEXTWYDFOBS-CQSZACIVSA-N 0 3 280.371 3.732 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1C#N ZINC000926966464 1128206546 /nfs/dbraw/zinc/20/65/46/1128206546.db2.gz IYAMEHOOOAWCRT-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc(Cl)cc2c1OCC2 ZINC000927143152 1128222248 /nfs/dbraw/zinc/22/22/48/1128222248.db2.gz YIZXBEIAQMEKIM-WDMOLILDSA-N 0 3 290.794 3.618 20 30 CHEDHN N#Cc1ccc(CN(C/C=C\c2ccncc2)C2CC2)cc1 ZINC000495079207 1128229360 /nfs/dbraw/zinc/22/93/60/1128229360.db2.gz NBMHDAUKJIMLMD-UPHRSURJSA-N 0 3 289.382 3.631 20 30 CHEDHN C[C@@H](NCc1ccc(F)cc1C#N)[C@H](C)c1ccccc1 ZINC000495410661 1128280305 /nfs/dbraw/zinc/28/03/05/1128280305.db2.gz YLLJNHLOEYWTRH-UONOGXRCSA-N 0 3 282.362 3.979 20 30 CHEDHN N#Cc1cncc(CN[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000929973250 1128296264 /nfs/dbraw/zinc/29/62/64/1128296264.db2.gz ISYGJMJZZDJFDR-IBGZPJMESA-N 0 3 291.398 3.974 20 30 CHEDHN CCc1nocc1CN(C)CCCCC1(C#N)CCC1 ZINC000930581163 1128326590 /nfs/dbraw/zinc/32/65/90/1128326590.db2.gz RFAPWHUYKJJPPS-UHFFFAOYSA-N 0 3 275.396 3.533 20 30 CHEDHN C=CCc1cc(C[NH+]2CCCCCCC2)c([O-])c(OC)c1 ZINC000915794918 1128339162 /nfs/dbraw/zinc/33/91/62/1128339162.db2.gz YTXGKJGCLKTOJE-UHFFFAOYSA-N 0 3 289.419 3.895 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(C)nc2)c([O-])c1 ZINC000915981490 1128399848 /nfs/dbraw/zinc/39/98/48/1128399848.db2.gz DBCHLQQKVFMHJW-UYRXBGFRSA-N 0 3 297.402 3.561 20 30 CHEDHN C[C@@H](C/N=C\c1cc(Cl)ccc1[O-])[NH+]1CCCCCC1 ZINC000915979932 1128400072 /nfs/dbraw/zinc/40/00/72/1128400072.db2.gz LPGUJPKBTTVMOC-CYUIRQCWSA-N 0 3 294.826 3.729 20 30 CHEDHN CN(CC[C@H]1CC1(Cl)Cl)Cc1cc(C#N)cs1 ZINC000933770491 1128442589 /nfs/dbraw/zinc/44/25/89/1128442589.db2.gz JZBVLSCKVYAMOV-JTQLQIEISA-N 0 3 289.231 3.635 20 30 CHEDHN C=C[C@@H](CC)CC(=O)Nc1cc(CN(C)C)ccc1C ZINC000934168955 1128453032 /nfs/dbraw/zinc/45/30/32/1128453032.db2.gz MAZDNKVNKCGJCP-AWEZNQCLSA-N 0 3 274.408 3.597 20 30 CHEDHN N#CCCCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126085610 1128460902 /nfs/dbraw/zinc/46/09/02/1128460902.db2.gz BXMNPJFWBDXJRS-GFCCVEGCSA-N 0 3 299.201 3.750 20 30 CHEDHN C=CCOc1cccc(CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000127416814 1128478107 /nfs/dbraw/zinc/47/81/07/1128478107.db2.gz QERRHFIYLVZVFC-GOSISDBHSA-N 0 3 282.387 3.917 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccccc2)cc1 ZINC000154455482 1128509887 /nfs/dbraw/zinc/50/98/87/1128509887.db2.gz VINRGKBYWBSABD-OAHLLOKOSA-N 0 3 280.371 3.609 20 30 CHEDHN CC(C)(CNCc1nc(C#N)cs1)C1CCCCC1 ZINC000565862418 1128534395 /nfs/dbraw/zinc/53/43/95/1128534395.db2.gz YRPLTMDMPNKWEA-UHFFFAOYSA-N 0 3 277.437 3.711 20 30 CHEDHN CC[C@@H](CC#N)NCCc1ccc2ccccc2c1 ZINC000565959117 1128535909 /nfs/dbraw/zinc/53/59/09/1128535909.db2.gz IYVUNAHVQVYENS-KRWDZBQOSA-N 0 3 252.361 3.664 20 30 CHEDHN C=CCCCCCN(C)Cc1ccc(Cl)cn1 ZINC000571907354 1128639944 /nfs/dbraw/zinc/63/99/44/1128639944.db2.gz CRVOKNAVYQNZGU-UHFFFAOYSA-N 0 3 252.789 3.913 20 30 CHEDHN Cc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748737 1128643227 /nfs/dbraw/zinc/64/32/27/1128643227.db2.gz SALIKUJEFCZSAT-UHFFFAOYSA-N 0 3 270.763 3.810 20 30 CHEDHN CC#CCCNCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000499210462 1128660910 /nfs/dbraw/zinc/66/09/10/1128660910.db2.gz GHSBDPFIXCUNDL-UHFFFAOYSA-N 0 3 295.430 3.673 20 30 CHEDHN CC(=NN[C@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000920383861 1128679429 /nfs/dbraw/zinc/67/94/29/1128679429.db2.gz ZGNCFCFUZQJFIZ-CQSZACIVSA-N 0 3 281.403 3.827 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000578193261 1128711139 /nfs/dbraw/zinc/71/11/39/1128711139.db2.gz WAAXPJGPJPJKHM-NXHRZFHOSA-N 0 3 281.403 3.746 20 30 CHEDHN N#Cc1ccc(CN2CCCC3(C2)CCCCCC3)nc1 ZINC000578202351 1128711360 /nfs/dbraw/zinc/71/13/60/1128711360.db2.gz GZPCVJRJQOMLHK-UHFFFAOYSA-N 0 3 283.419 3.890 20 30 CHEDHN N#CC(=C([O-])C=Cc1ccc(Cl)s1)c1ccccn1 ZINC000049457322 1117749177 /nfs/dbraw/zinc/74/91/77/1117749177.db2.gz HPXNFAWHLJUREG-MALLOTDXSA-N 0 3 288.759 3.686 20 30 CHEDHN N#CC(C(=O)C=Cc1ccc(Cl)s1)c1ccccn1 ZINC000049457322 1117749180 /nfs/dbraw/zinc/74/91/80/1117749180.db2.gz HPXNFAWHLJUREG-MALLOTDXSA-N 0 3 288.759 3.686 20 30 CHEDHN CN(C)[C@H]1CCOc2c(NC3=CC[C@H](C#N)CC3)cccc21 ZINC001212867268 1128734134 /nfs/dbraw/zinc/73/41/34/1128734134.db2.gz SHMYGHVEHDPACT-GUYCJALGSA-N 0 3 297.402 3.691 20 30 CHEDHN CC[C@H]1CCCCCN1Cc1ccc(F)cc1C#N ZINC000610080142 1128737843 /nfs/dbraw/zinc/73/78/43/1128737843.db2.gz DSIMJAFRGHIZDF-INIZCTEOSA-N 0 3 260.356 3.852 20 30 CHEDHN C=CC(C)(C)CCNCc1csc(C2CC2)n1 ZINC000623593145 1117876685 /nfs/dbraw/zinc/87/66/85/1117876685.db2.gz VODDMEOCQDBVMU-UHFFFAOYSA-N 0 3 250.411 3.712 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000119362227 1117893251 /nfs/dbraw/zinc/89/32/51/1117893251.db2.gz BLAQXRWBAQEIIE-RKDXNWHRSA-N 0 3 259.271 3.652 20 30 CHEDHN C=CCOc1c(Cl)cc(CNC/C=C\C)cc1OC ZINC000623739651 1117908349 /nfs/dbraw/zinc/90/83/49/1117908349.db2.gz BYXMHLIPKFDZEV-XQRVVYSFSA-N 0 3 281.783 3.579 20 30 CHEDHN C=CCCCCCN[C@H]1CCCc2scnc21 ZINC000624009337 1117969439 /nfs/dbraw/zinc/96/94/39/1117969439.db2.gz UYDHZFHZERLGTC-LBPRGKRZSA-N 0 3 250.411 3.857 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccccc1 ZINC000165158270 1117985370 /nfs/dbraw/zinc/98/53/70/1117985370.db2.gz BKAMORCIVHUPSA-CQSZACIVSA-N 0 3 250.345 3.718 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H]2c2cccs2)c1 ZINC000016340787 1118009973 /nfs/dbraw/zinc/00/99/73/1118009973.db2.gz LCIUGPCPFIQBPB-OAHLLOKOSA-N 0 3 268.385 3.957 20 30 CHEDHN CCOC(=O)CCCCCCN(CCC#N)C1CCCC1 ZINC001209347873 1118027795 /nfs/dbraw/zinc/02/77/95/1118027795.db2.gz FEAZRNYFIIVAMY-UHFFFAOYSA-N 0 3 294.439 3.658 20 30 CHEDHN N#CCCCCN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183551112 1118046093 /nfs/dbraw/zinc/04/60/93/1118046093.db2.gz IFXHQGBINQOGTM-KRWDZBQOSA-N 0 3 283.350 3.594 20 30 CHEDHN C=CCCCCCN1CCc2ccc(C#N)cc2C1 ZINC001209423159 1118048604 /nfs/dbraw/zinc/04/86/04/1118048604.db2.gz HEKCENKGXQXARO-UHFFFAOYSA-N 0 3 254.377 3.663 20 30 CHEDHN C=CCCCCCCN1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001209430737 1118052041 /nfs/dbraw/zinc/05/20/41/1118052041.db2.gz BOGIFHSIRWBFIJ-HZPDHXFCSA-N 0 3 263.425 3.957 20 30 CHEDHN C=CCCCCCN1CCc2c(cccc2C(=O)OC)C1 ZINC001209432886 1118054284 /nfs/dbraw/zinc/05/42/84/1118054284.db2.gz LYTMSRJHFSOQQO-UHFFFAOYSA-N 0 3 287.403 3.578 20 30 CHEDHN C=CCCCCCCCN(C)Cc1cnc(C)nc1 ZINC001209442487 1118061048 /nfs/dbraw/zinc/06/10/48/1118061048.db2.gz UBMKYUWVBUEBEF-UHFFFAOYSA-N 0 3 261.413 3.743 20 30 CHEDHN C#CCN[C@@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000764600454 1118102515 /nfs/dbraw/zinc/10/25/15/1118102515.db2.gz YXIPMXYRTWOUOX-ZDUSSCGKSA-N 0 3 255.283 3.769 20 30 CHEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2CC2)cs1 ZINC000921514275 1118153936 /nfs/dbraw/zinc/15/39/36/1118153936.db2.gz VDMWEYMBGFJDNP-INIZCTEOSA-N 0 3 268.385 3.861 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccc(F)cc2F)C2CC2)C1 ZINC001168541790 1118157507 /nfs/dbraw/zinc/15/75/07/1118157507.db2.gz LFZHMNAQNRIYSW-HICWGWBUSA-N 0 3 276.330 3.698 20 30 CHEDHN C[C@H](NCc1ccc2cccnc2c1)c1cccc(C#N)c1 ZINC000610344963 1118337199 /nfs/dbraw/zinc/33/71/99/1118337199.db2.gz PFXXQHTZAAIOIF-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN CCc1ccc(CNCc2cc(C#N)cs2)s1 ZINC000177685416 1118352309 /nfs/dbraw/zinc/35/23/09/1118352309.db2.gz DGBWBZHOGLGHPR-UHFFFAOYSA-N 0 3 262.403 3.533 20 30 CHEDHN CCCCCCCN(CC)Cc1ccnc(CC)n1 ZINC001207087008 1118431806 /nfs/dbraw/zinc/43/18/06/1118431806.db2.gz WNZCZNZPRXVNQX-UHFFFAOYSA-N 0 3 263.429 3.831 20 30 CHEDHN Cc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000334529930 1118554682 /nfs/dbraw/zinc/55/46/82/1118554682.db2.gz DZLXETQODHEDAT-IBGZPJMESA-N 0 3 291.398 3.819 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cncc(F)c1 ZINC000335906359 1118670491 /nfs/dbraw/zinc/67/04/91/1118670491.db2.gz XEMDUHZFSNBRJW-XIKOKIGWSA-N 0 3 295.361 3.821 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc2ccccc2n1 ZINC000430752377 1118767896 /nfs/dbraw/zinc/76/78/96/1118767896.db2.gz GEUJVGBVFJWKNN-CYBMUJFWSA-N 0 3 265.360 3.579 20 30 CHEDHN CCC[N@H+](Cc1csc(C#N)c1)Cc1ccccc1[O-] ZINC000891853425 1118803856 /nfs/dbraw/zinc/80/38/56/1118803856.db2.gz LZJXHOLCAJWOAC-UHFFFAOYSA-N 0 3 286.400 3.738 20 30 CHEDHN CCC[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1[O-] ZINC000891853425 1118803869 /nfs/dbraw/zinc/80/38/69/1118803869.db2.gz LZJXHOLCAJWOAC-UHFFFAOYSA-N 0 3 286.400 3.738 20 30 CHEDHN CCCN(Cc1csc(C#N)c1)Cc1ccccc1O ZINC000891853425 1118803874 /nfs/dbraw/zinc/80/38/74/1118803874.db2.gz LZJXHOLCAJWOAC-UHFFFAOYSA-N 0 3 286.400 3.738 20 30 CHEDHN C=CCOc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1 ZINC000535824121 1118901797 /nfs/dbraw/zinc/90/17/97/1118901797.db2.gz SSZVFCFZNUKWAA-ZIAGYGMSSA-N 0 3 277.433 3.577 20 30 CHEDHN CC(C)(C)[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CS1 ZINC000617099090 1128814844 /nfs/dbraw/zinc/81/48/44/1128814844.db2.gz RUSYOFHYCHNJFZ-UKRRQHHQSA-N 0 3 292.423 3.707 20 30 CHEDHN C[C@@H](Cc1ccsc1)N(C)Cc1cccc(C#N)c1F ZINC001167581935 1119107185 /nfs/dbraw/zinc/10/71/85/1119107185.db2.gz INMHABZPCDTTEV-LBPRGKRZSA-N 0 3 288.391 3.822 20 30 CHEDHN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(CC#N)cc1 ZINC000342759231 1119155793 /nfs/dbraw/zinc/15/57/93/1119155793.db2.gz XDMUPTGWIQIRTD-AWEZNQCLSA-N 0 3 280.371 3.651 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2)o1 ZINC000661117288 1119195753 /nfs/dbraw/zinc/19/57/53/1119195753.db2.gz PIEPLLKRMRQBLY-GOEBONIOSA-N 0 3 297.402 3.961 20 30 CHEDHN N#CCCN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000342845683 1119206399 /nfs/dbraw/zinc/20/63/99/1119206399.db2.gz KDDJDKMNCILIJP-KBPBESRZSA-N 0 3 282.309 3.845 20 30 CHEDHN N#CCCN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000342845684 1119206888 /nfs/dbraw/zinc/20/68/88/1119206888.db2.gz KDDJDKMNCILIJP-KGLIPLIRSA-N 0 3 282.309 3.845 20 30 CHEDHN C=CCOc1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1 ZINC000657692160 1119250994 /nfs/dbraw/zinc/25/09/94/1119250994.db2.gz OASFHDMGUAIUQL-LJQANCHMSA-N 0 3 295.382 3.734 20 30 CHEDHN C=CCCCCCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC000156705256 1119368723 /nfs/dbraw/zinc/36/87/23/1119368723.db2.gz BZYUKKYSQIHEFE-UHFFFAOYSA-N 0 3 288.435 3.567 20 30 CHEDHN CCCN(CC1(C#N)CC1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000343321975 1119385756 /nfs/dbraw/zinc/38/57/56/1119385756.db2.gz PGTJSFCTYMTVRZ-JKSUJKDBSA-N 0 3 290.451 3.740 20 30 CHEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(CC#N)cc1 ZINC000612121887 1119715186 /nfs/dbraw/zinc/71/51/86/1119715186.db2.gz SIZNLUJEEXXCQR-DOMZBBRYSA-N 0 3 296.336 3.915 20 30 CHEDHN N#CC(C(=O)CC[C@@H]1CCc2ccccc21)c1ccccn1 ZINC000892483025 1119771761 /nfs/dbraw/zinc/77/17/61/1119771761.db2.gz JFXVESIMGBAGQQ-RDJZCZTQSA-N 0 3 290.366 3.768 20 30 CHEDHN C[C@@H](CNCC(C)(C)C#N)c1cccc(Br)c1 ZINC000612588259 1119803496 /nfs/dbraw/zinc/80/34/96/1119803496.db2.gz VJVXVAUAYZLHNE-NSHDSACASA-N 0 3 295.224 3.692 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc2ccccc2n1 ZINC000414160440 1119922752 /nfs/dbraw/zinc/92/27/52/1119922752.db2.gz DCUOPLRAVJCSPX-CYBMUJFWSA-N 0 3 267.376 3.825 20 30 CHEDHN N#CC(C(=O)CCc1cc(Cl)cs1)c1ccccn1 ZINC000077865798 1128878846 /nfs/dbraw/zinc/87/88/46/1128878846.db2.gz XMFLCBCJYDHCRW-GFCCVEGCSA-N 0 3 290.775 3.606 20 30 CHEDHN Cc1cncc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000613512263 1119958011 /nfs/dbraw/zinc/95/80/11/1119958011.db2.gz BZZKYACCUARDIB-UONOGXRCSA-N 0 3 265.360 3.674 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(C)on1 ZINC000414297896 1119971626 /nfs/dbraw/zinc/97/16/26/1119971626.db2.gz HUGGJDCGGWXJQE-HOCLYGCPSA-N 0 3 270.376 3.821 20 30 CHEDHN C=CCCC(C)(C)CN[C@@H](C)c1cn(C(C)C)nn1 ZINC000926780482 1120013179 /nfs/dbraw/zinc/01/31/79/1120013179.db2.gz CAAQGSYDMAIQGA-ZDUSSCGKSA-N 0 3 264.417 3.502 20 30 CHEDHN Cc1ccc([C@@H]2CCC[C@@H]2NCC(C)(C)C#N)cc1 ZINC000613540366 1120020469 /nfs/dbraw/zinc/02/04/69/1120020469.db2.gz OIOREAJSYLFUGQ-HOTGVXAUSA-N 0 3 256.393 3.771 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000613661330 1120152811 /nfs/dbraw/zinc/15/28/11/1120152811.db2.gz ANNIRTIZRZIRSE-RNCFNFMXSA-N 0 3 269.175 3.775 20 30 CHEDHN CN1CC[C@H](Nc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000302833157 1120163911 /nfs/dbraw/zinc/16/39/11/1120163911.db2.gz SAZZLABERFQQCL-ROUUACIJSA-N 0 3 295.361 3.555 20 30 CHEDHN CN1CC[C@@H](Nc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000302833154 1120164360 /nfs/dbraw/zinc/16/43/60/1120164360.db2.gz SAZZLABERFQQCL-MSOLQXFVSA-N 0 3 295.361 3.555 20 30 CHEDHN CCc1ccc([C@H]2C[C@@H](C)CCN2CCCC#N)o1 ZINC000174446884 1120169391 /nfs/dbraw/zinc/16/93/91/1120169391.db2.gz WVXKTSKEPNRWHB-DZGCQCFKSA-N 0 3 260.381 3.919 20 30 CHEDHN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(CC#N)CC2)o1 ZINC000542851735 1120181343 /nfs/dbraw/zinc/18/13/43/1120181343.db2.gz ZCZJRHVPCTVBJR-DOMZBBRYSA-N 0 3 258.365 3.529 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000361865211 1120192449 /nfs/dbraw/zinc/19/24/49/1120192449.db2.gz LLGVDRMRRMQHHW-KRWDZBQOSA-N 0 3 268.335 3.938 20 30 CHEDHN C=CC[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccncc1 ZINC000921748637 1120196432 /nfs/dbraw/zinc/19/64/32/1120196432.db2.gz YZPWKHXHBWCRQW-KBXCAEBGSA-N 0 3 294.398 3.812 20 30 CHEDHN CCS[C@@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC000112089115 1120276531 /nfs/dbraw/zinc/27/65/31/1120276531.db2.gz KJCXDHMSQBIZDR-OAHLLOKOSA-N 0 3 292.423 3.805 20 30 CHEDHN COc1cc(C)cc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921922353 1120282606 /nfs/dbraw/zinc/28/26/06/1120282606.db2.gz BQDQNFCVRITZDM-UHFFFAOYSA-N 0 3 294.398 3.782 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCCCC2)O1 ZINC000467199601 1120319209 /nfs/dbraw/zinc/31/92/09/1120319209.db2.gz CCXMZPBLCGCJQY-GOSISDBHSA-N 0 3 298.430 3.872 20 30 CHEDHN COc1ccc(Cl)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185800270 1120384993 /nfs/dbraw/zinc/38/49/93/1120384993.db2.gz MURPIOWYQSDEFM-RISCZKNCSA-N 0 3 278.783 3.521 20 30 CHEDHN C=CCN(CCc1ccccc1)[C@@H](C)c1ccccn1 ZINC000584710901 1120417557 /nfs/dbraw/zinc/41/75/57/1120417557.db2.gz HPOFYWGJQROTLH-INIZCTEOSA-N 0 3 266.388 3.873 20 30 CHEDHN COc1ccc(C#N)cc1CN(Cc1ccccc1)C(C)C ZINC000390709415 1120454029 /nfs/dbraw/zinc/45/40/29/1120454029.db2.gz ITXNPSSBSJWZLB-UHFFFAOYSA-N 0 3 294.398 3.977 20 30 CHEDHN N#Cc1cc(CNC[C@@H]2CC[C@@H](c3ccccc3)O2)cs1 ZINC000922222748 1120477013 /nfs/dbraw/zinc/47/70/13/1120477013.db2.gz STDNMRILZHABFL-RDJZCZTQSA-N 0 3 298.411 3.630 20 30 CHEDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000069087048 1120492913 /nfs/dbraw/zinc/49/29/13/1120492913.db2.gz NNJCRVTUQBWDNY-SFHVURJKSA-N 0 3 292.382 3.904 20 30 CHEDHN C=C(C)[C@H](N[C@H]1COC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000418016489 1120504536 /nfs/dbraw/zinc/50/45/36/1120504536.db2.gz WXCYMIVRBYCTPJ-DOMZBBRYSA-N 0 3 281.346 3.739 20 30 CHEDHN CN(Cc1cccc(F)c1C#N)[C@@H]1CCC(C)(C)C1 ZINC000428952985 1120585124 /nfs/dbraw/zinc/58/51/24/1120585124.db2.gz JBEZZKZNUHGRLR-CYBMUJFWSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1ccc(CNCc2cccc(OC(C)C)c2)cc1C#N ZINC000922759323 1120593330 /nfs/dbraw/zinc/59/33/30/1120593330.db2.gz NMLAVWNKXFQUOT-UHFFFAOYSA-N 0 3 294.398 3.944 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@@H](OCC)C1CC1 ZINC000625057739 1120627258 /nfs/dbraw/zinc/62/72/58/1120627258.db2.gz ZBWGSUNTDBABJY-OAHLLOKOSA-N 0 3 265.422 3.551 20 30 CHEDHN N#Cc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000028963578 1120672557 /nfs/dbraw/zinc/67/25/57/1120672557.db2.gz FVLZQAWFUJUMHJ-UHFFFAOYSA-N 0 3 287.366 3.595 20 30 CHEDHN CC[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162869631 1120695010 /nfs/dbraw/zinc/69/50/10/1120695010.db2.gz FUBWHLMAYAPLPW-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000093116442 1120707149 /nfs/dbraw/zinc/70/71/49/1120707149.db2.gz VPCOLZOCVKBCRA-GOSISDBHSA-N 0 3 280.346 3.865 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2cnccc2c1 ZINC000618741864 1128935711 /nfs/dbraw/zinc/93/57/11/1128935711.db2.gz NIGXSRKFKOKFEK-FQEVSTJZSA-N 0 3 299.377 3.884 20 30 CHEDHN C=C(C)CCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000662050240 1120865405 /nfs/dbraw/zinc/86/54/05/1120865405.db2.gz FPTADZMEHQRLJG-LBPRGKRZSA-N 0 3 274.191 3.583 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@@H](c1nc(C)no1)C(C)C ZINC000168084707 1120914873 /nfs/dbraw/zinc/91/48/73/1120914873.db2.gz CNFJEGAMEJVMPR-ZIAGYGMSSA-N 0 3 265.401 3.800 20 30 CHEDHN C(#Cc1ccccc1)CN1CC2CC1(c1ccccc1)C2 ZINC000662330605 1120927648 /nfs/dbraw/zinc/92/76/48/1120927648.db2.gz GRQKULCLUXOSOO-UHFFFAOYSA-N 0 3 273.379 3.659 20 30 CHEDHN C=CCCC1(CNC(=O)c2cccc3c2CNC3)CCCC1 ZINC000662620525 1120956664 /nfs/dbraw/zinc/95/66/64/1120956664.db2.gz LUSJFPYHKGGHNB-UHFFFAOYSA-N 0 3 298.430 3.546 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000625702268 1121061941 /nfs/dbraw/zinc/06/19/41/1121061941.db2.gz WLUYTZHCBWJHNG-CYBMUJFWSA-N 0 3 286.350 3.879 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000625700153 1121062406 /nfs/dbraw/zinc/06/24/06/1121062406.db2.gz HXOFHYNFFCCVAW-AWEZNQCLSA-N 0 3 298.386 3.748 20 30 CHEDHN CC(C)P(CCNc1ncc(Cl)nc1C#N)C(C)C ZINC001162358711 1121145661 /nfs/dbraw/zinc/14/56/61/1121145661.db2.gz QWDZWBMOMLLJDE-UHFFFAOYSA-N 0 3 298.758 3.712 20 30 CHEDHN C/C=C/C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC001175052504 1121162316 /nfs/dbraw/zinc/16/23/16/1121162316.db2.gz GCLBKLSSCMDMKN-RCAFFNEUSA-N 0 3 271.379 3.855 20 30 CHEDHN C=CC(C)(C)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000701849207 1121172953 /nfs/dbraw/zinc/17/29/53/1121172953.db2.gz OAUVQWOWSFPRKW-NSHDSACASA-N 0 3 251.345 3.784 20 30 CHEDHN C[C@@H](NCc1ccsc1)c1ccc(OCC#N)cc1 ZINC000063152419 1121199880 /nfs/dbraw/zinc/19/98/80/1121199880.db2.gz FCLCYJQBIDABCU-GFCCVEGCSA-N 0 3 272.373 3.501 20 30 CHEDHN C#Cc1ccccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506836 1121353525 /nfs/dbraw/zinc/35/35/25/1121353525.db2.gz OWAYGGZLPQVSEL-UHFFFAOYSA-N 0 3 288.394 3.870 20 30 CHEDHN C=CCN(Cc1cccc(F)c1OC)C(C)(C)C ZINC001143534315 1121424557 /nfs/dbraw/zinc/42/45/57/1121424557.db2.gz PULDUNXWLHHRNU-UHFFFAOYSA-N 0 3 251.345 3.621 20 30 CHEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2c1NCCC2 ZINC000893931808 1121441492 /nfs/dbraw/zinc/44/14/92/1121441492.db2.gz SPIYRWIAKBXSFU-UHFFFAOYSA-N 0 3 291.398 3.548 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(OCC)cc2)cc1 ZINC000512567650 1121478876 /nfs/dbraw/zinc/47/88/76/1121478876.db2.gz BWLJKJVRNVAGOI-UHFFFAOYSA-N 0 3 297.398 3.940 20 30 CHEDHN C#CC[C@@H]1CCCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000843423943 1121480254 /nfs/dbraw/zinc/48/02/54/1121480254.db2.gz MDQULIWAEKKXFT-GFCCVEGCSA-N 0 3 299.386 3.971 20 30 CHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1 ZINC000512647266 1121506852 /nfs/dbraw/zinc/50/68/52/1121506852.db2.gz HEBAUSKIJQLCKQ-KBPBESRZSA-N 0 3 298.361 3.815 20 30 CHEDHN C=C(C)CCN(C)Cc1cc(Cl)ccc1OC ZINC000509848244 1121638051 /nfs/dbraw/zinc/63/80/51/1121638051.db2.gz HLLLDZUKBOWXNT-UHFFFAOYSA-N 0 3 253.773 3.747 20 30 CHEDHN Cc1ccc(F)cc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000129021611 1121693655 /nfs/dbraw/zinc/69/36/55/1121693655.db2.gz OUESNWJJCJIUEO-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN CSc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000067251489 1121706379 /nfs/dbraw/zinc/70/63/79/1121706379.db2.gz YULWTXUMIDSVFP-UHFFFAOYSA-N 0 3 298.411 3.601 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@H]1c1ccccc1 ZINC000614402281 1121709907 /nfs/dbraw/zinc/70/99/07/1121709907.db2.gz QJKRVLYRPHTBPS-SFHVURJKSA-N 0 3 262.356 3.814 20 30 CHEDHN CC(=NNC1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000727652493 1121730535 /nfs/dbraw/zinc/73/05/35/1121730535.db2.gz PRZDLKXXALYMIS-UHFFFAOYSA-N 0 3 285.435 3.933 20 30 CHEDHN C=CC[C@@H](C)NCc1cscc1Br ZINC000286515023 1121768687 /nfs/dbraw/zinc/76/86/87/1121768687.db2.gz MXPBODFAGGKRBR-MRVPVSSYSA-N 0 3 260.200 3.565 20 30 CHEDHN COc1cccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000037771490 1129010371 /nfs/dbraw/zinc/01/03/71/1129010371.db2.gz YVRSGFGOESRNLF-ZIAGYGMSSA-N 0 3 280.371 3.979 20 30 CHEDHN C#CCC1(NCc2cccc(Br)c2F)CCC1 ZINC001179651777 1121895869 /nfs/dbraw/zinc/89/58/69/1121895869.db2.gz PGOXZJDEQUTGKV-UHFFFAOYSA-N 0 3 296.183 3.624 20 30 CHEDHN C#CCN(CCC(C)(C)SC)Cc1ccc(F)cc1 ZINC001180030479 1121939225 /nfs/dbraw/zinc/93/92/25/1121939225.db2.gz MYSSWKLGUXZSAT-UHFFFAOYSA-N 0 3 279.424 3.793 20 30 CHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccccc2)s1 ZINC000419827248 1121970390 /nfs/dbraw/zinc/97/03/90/1121970390.db2.gz BHRIPCFQMBWNOC-GFCCVEGCSA-N 0 3 299.399 3.686 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(F)c2)cc1 ZINC000733321352 1121975571 /nfs/dbraw/zinc/97/55/71/1121975571.db2.gz BITDBQBDBBMRIL-AWEZNQCLSA-N 0 3 283.346 3.689 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000153121178 1129022380 /nfs/dbraw/zinc/02/23/80/1129022380.db2.gz MRQCSSBTISKRKE-LBPRGKRZSA-N 0 3 288.347 3.698 20 30 CHEDHN C=CCOc1ccc(CNC(C)(C)c2ccc(C)nc2)cc1 ZINC000353161589 1121984220 /nfs/dbraw/zinc/98/42/20/1121984220.db2.gz FOGUZWSPKXFOEJ-UHFFFAOYSA-N 0 3 296.414 3.980 20 30 CHEDHN Cc1nc(C)c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618803287 1122003272 /nfs/dbraw/zinc/00/32/72/1122003272.db2.gz HWDXARNZOQLEND-BZNIZROVSA-N 0 3 297.427 3.970 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420939145 1122046523 /nfs/dbraw/zinc/04/65/23/1122046523.db2.gz BQDDCPXGUGPKJR-AWEZNQCLSA-N 0 3 282.309 3.723 20 30 CHEDHN CCCOc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001204306784 1122074366 /nfs/dbraw/zinc/07/43/66/1122074366.db2.gz ABNUFMQFDMVVSZ-OAHLLOKOSA-N 0 3 272.392 3.601 20 30 CHEDHN CCc1ccc([C@H]2CCN(Cc3cccc(C#N)n3)C2)cc1 ZINC001182072384 1122108868 /nfs/dbraw/zinc/10/88/68/1122108868.db2.gz PCUANNJQNHTVNT-KRWDZBQOSA-N 0 3 291.398 3.505 20 30 CHEDHN CC1(C)CCC[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000773986552 1122118112 /nfs/dbraw/zinc/11/81/12/1122118112.db2.gz CFMREAOUANVLGJ-NEPJUHHUSA-N 0 3 282.343 3.830 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000774134453 1122132982 /nfs/dbraw/zinc/13/29/82/1122132982.db2.gz ZRJLUODBOOCRBI-GOSISDBHSA-N 0 3 275.355 3.671 20 30 CHEDHN Cc1cc(C)cc([C@@H]2CCN(Cc3ccc(C#N)o3)C2)c1 ZINC000183214170 1129035014 /nfs/dbraw/zinc/03/50/14/1129035014.db2.gz SPLNEAOWTQCGRJ-OAHLLOKOSA-N 0 3 280.371 3.758 20 30 CHEDHN C#CCN(Cc1cc(Br)c(C)s1)C(C)C ZINC001184115542 1122257292 /nfs/dbraw/zinc/25/72/92/1122257292.db2.gz HUUWGAUOFHLRCC-UHFFFAOYSA-N 0 3 286.238 3.663 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001184278552 1122268505 /nfs/dbraw/zinc/26/85/05/1122268505.db2.gz SZONSMYQRBDQTH-OKILXGFUSA-N 0 3 289.806 3.584 20 30 CHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(C)CC1 ZINC000514758250 1122446286 /nfs/dbraw/zinc/44/62/86/1122446286.db2.gz JKWCVIFBGNSMJD-UHFFFAOYSA-N 0 3 261.413 3.642 20 30 CHEDHN C=CCO[C@@H]1CCN(C/C=C/c2c(C)cc(C)cc2C)C1 ZINC001204961798 1122458523 /nfs/dbraw/zinc/45/85/23/1122458523.db2.gz UWILBLPHZPUZFR-IPLHWJFFSA-N 0 3 285.431 3.902 20 30 CHEDHN C=CCCCCCNCc1csc(C2CC2)n1 ZINC000514872860 1122460501 /nfs/dbraw/zinc/46/05/01/1122460501.db2.gz KOFAAXCKNCGBEP-UHFFFAOYSA-N 0 3 250.411 3.857 20 30 CHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(CC#N)cc1)CC2 ZINC000514940187 1122465306 /nfs/dbraw/zinc/46/53/06/1122465306.db2.gz YSMAOSRWYDUYDG-IBGZPJMESA-N 0 3 292.382 3.538 20 30 CHEDHN C=CCN(CCOc1ccc(OC)cc1)Cc1ccccc1 ZINC000515549237 1122509618 /nfs/dbraw/zinc/50/96/18/1122509618.db2.gz BWNGDHYVJTYEAJ-UHFFFAOYSA-N 0 3 297.398 3.762 20 30 CHEDHN CC(C)CCOCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533486 1122544172 /nfs/dbraw/zinc/54/41/72/1122544172.db2.gz KWLRGXNNANRIHW-HNNXBMFYSA-N 0 3 274.408 3.614 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(OC)cc1OC(F)F ZINC000505858967 1122570446 /nfs/dbraw/zinc/57/04/46/1122570446.db2.gz NHHVLTVRTHTLBU-UHFFFAOYSA-N 0 3 285.334 3.695 20 30 CHEDHN C=CCOc1cccc(CN2CCC[C@H]2c2cccn2C)c1 ZINC000506016033 1122625877 /nfs/dbraw/zinc/62/58/77/1122625877.db2.gz CDPYIBBURGOVNW-IBGZPJMESA-N 0 3 296.414 3.927 20 30 CHEDHN Cc1ccc(C)c(OCCN(C)Cc2ccc(C#N)cc2)c1 ZINC000506130040 1122655964 /nfs/dbraw/zinc/65/59/64/1122655964.db2.gz GGNWPYKFGVHCNZ-UHFFFAOYSA-N 0 3 294.398 3.686 20 30 CHEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC001192661919 1122656207 /nfs/dbraw/zinc/65/62/07/1122656207.db2.gz HLAMTLAUCDSPOP-HUUCEWRRSA-N 0 3 289.419 3.937 20 30 CHEDHN Cc1ccc([C@H](O)CN[C@@H](CCC#N)c2ccccc2)cc1 ZINC000775553846 1122663195 /nfs/dbraw/zinc/66/31/95/1122663195.db2.gz RCIMKMILXRKZLG-RBUKOAKNSA-N 0 3 294.398 3.663 20 30 CHEDHN CC#CCN1CCC(c2ccc(Br)cc2)CC1 ZINC001193785537 1122716315 /nfs/dbraw/zinc/71/63/15/1122716315.db2.gz REHWTTHCUMCGGH-UHFFFAOYSA-N 0 3 292.220 3.652 20 30 CHEDHN Cc1cccc(C)c1OCCN(C)Cc1cccc(C#N)c1 ZINC000506368531 1122726379 /nfs/dbraw/zinc/72/63/79/1122726379.db2.gz BOTSCTAKCKBTCM-UHFFFAOYSA-N 0 3 294.398 3.686 20 30 CHEDHN C=CCN(Cc1ccc2nc(C)sc2c1)C1CC1 ZINC000426366778 1122776025 /nfs/dbraw/zinc/77/60/25/1122776025.db2.gz RHFKYHJCYNKIEP-UHFFFAOYSA-N 0 3 258.390 3.755 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1Cl)C(C)C ZINC000439441963 1122780231 /nfs/dbraw/zinc/78/02/31/1122780231.db2.gz QYAJVSROGHRZRH-UHFFFAOYSA-N 0 3 250.773 3.830 20 30 CHEDHN CCCCCCCCCOC(=O)N(C)[C@H]1CCN(C)C1 ZINC001194914434 1122822047 /nfs/dbraw/zinc/82/20/47/1122822047.db2.gz ZSDJQKGPUQGMDI-HNNXBMFYSA-N 0 3 284.444 3.510 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC000101601359 1122837672 /nfs/dbraw/zinc/83/76/72/1122837672.db2.gz CJWQGNPJJKRVDU-UHFFFAOYSA-N 0 3 297.398 3.858 20 30 CHEDHN C=C(CNCc1c[nH]nc1C(C)(C)C)c1ccccc1 ZINC000620756712 1129083361 /nfs/dbraw/zinc/08/33/61/1129083361.db2.gz OPCZGQUIEWZCRT-UHFFFAOYSA-N 0 3 269.392 3.510 20 30 CHEDHN C=CCCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000775711352 1122918604 /nfs/dbraw/zinc/91/86/04/1122918604.db2.gz XEBHXUNCYGSCHL-UHFFFAOYSA-N 0 3 298.224 3.861 20 30 CHEDHN C=CCCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000775711352 1122918601 /nfs/dbraw/zinc/91/86/01/1122918601.db2.gz XEBHXUNCYGSCHL-UHFFFAOYSA-N 0 3 298.224 3.861 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000266519948 1122938035 /nfs/dbraw/zinc/93/80/35/1122938035.db2.gz ZJMUYHKEDQFGKW-UONOGXRCSA-N 0 3 292.382 3.905 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2n[nH]cc2c1 ZINC000507246381 1122944172 /nfs/dbraw/zinc/94/41/72/1122944172.db2.gz IPTOMYUQVWTNQX-QWHCGFSZSA-N 0 3 290.370 3.846 20 30 CHEDHN CC[C@H]1[C@@H](C)CCN1Cc1cc(Cl)ccc1OCC#N ZINC000775785143 1122968683 /nfs/dbraw/zinc/96/86/83/1122968683.db2.gz KADLTXXYHXWVPJ-WFASDCNBSA-N 0 3 292.810 3.863 20 30 CHEDHN CC1(C#N)CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000334303866 1122985272 /nfs/dbraw/zinc/98/52/72/1122985272.db2.gz FUQHWHRPHARLFB-UHFFFAOYSA-N 0 3 291.398 3.874 20 30 CHEDHN CC(C)CN(CCC#N)C[C@@H](C)Cc1ccccc1 ZINC000775898537 1123013464 /nfs/dbraw/zinc/01/34/64/1123013464.db2.gz YHCNVAJDVYOERF-INIZCTEOSA-N 0 3 258.409 3.737 20 30 CHEDHN C=CCOc1cccc(CNCc2ccccc2COC)c1 ZINC001199102276 1123021196 /nfs/dbraw/zinc/02/11/96/1123021196.db2.gz XECOSIHQVDPHBD-UHFFFAOYSA-N 0 3 297.398 3.688 20 30 CHEDHN C=CCc1cc(CNCc2ccccc2)cc(OC)c1OC ZINC000105478291 1123053044 /nfs/dbraw/zinc/05/30/44/1123053044.db2.gz DDXWTTZKJYCLBZ-UHFFFAOYSA-N 0 3 297.398 3.722 20 30 CHEDHN CC#CCCN(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000155094083 1129097121 /nfs/dbraw/zinc/09/71/21/1129097121.db2.gz YAOXHJXNBQONTJ-UHFFFAOYSA-N 0 3 297.345 3.532 20 30 CHEDHN CCCCCCCCCCCN1CCN(C2COC2)CC1 ZINC001201630982 1123129770 /nfs/dbraw/zinc/12/97/70/1123129770.db2.gz KEFAMJWXCYQSIU-UHFFFAOYSA-N 0 3 296.499 3.534 20 30 CHEDHN CCCCCCCN1CCc2nc(C)sc2C1 ZINC001201788123 1123151891 /nfs/dbraw/zinc/15/18/91/1123151891.db2.gz XXCWAGWGZXQTCS-UHFFFAOYSA-N 0 3 252.427 3.780 20 30 CHEDHN C=CCCNCc1nc2ccc(Br)cc2s1 ZINC000850354699 1123255532 /nfs/dbraw/zinc/25/55/32/1123255532.db2.gz VBAMTHORMPEPTN-UHFFFAOYSA-N 0 3 297.221 3.725 20 30 CHEDHN C=CCCNCc1c(C)nn(Cc2ccccc2)c1Cl ZINC000850354677 1123255400 /nfs/dbraw/zinc/25/54/00/1123255400.db2.gz UGBHSXNCEXAROG-UHFFFAOYSA-N 0 3 289.810 3.559 20 30 CHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc2c(c1)CCCO2 ZINC000850473848 1123272370 /nfs/dbraw/zinc/27/23/70/1123272370.db2.gz GOVWPRWGAHLPEM-LBPRGKRZSA-N 0 3 298.411 3.796 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1c(C)onc1CC ZINC000850503771 1123275969 /nfs/dbraw/zinc/27/59/69/1123275969.db2.gz MQACOFUOYPBBAN-NSHDSACASA-N 0 3 268.426 3.505 20 30 CHEDHN C=CCC[C@@H](N[C@H]1COC2(CCC2)C1)c1ccco1 ZINC000850523182 1123280035 /nfs/dbraw/zinc/28/00/35/1123280035.db2.gz BVWDOUZKUSNNMC-ZIAGYGMSSA-N 0 3 261.365 3.588 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(F)c1C#N ZINC000428211379 1123281674 /nfs/dbraw/zinc/28/16/74/1123281674.db2.gz XEEMSENEKDJENW-IIYDPXPESA-N 0 3 272.367 3.850 20 30 CHEDHN C=CCC[C@@H](NCC1SCCS1)c1ccco1 ZINC000850562720 1123292803 /nfs/dbraw/zinc/29/28/03/1123292803.db2.gz WYFNBADQCHWFOL-LLVKDONJSA-N 0 3 269.435 3.683 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000059422216 1123309013 /nfs/dbraw/zinc/30/90/13/1123309013.db2.gz HIFSEVNPLNWPDD-TXEJJXNPSA-N 0 3 262.784 3.975 20 30 CHEDHN C=CCN(Cc1ccnc(Br)c1)C(C)(C)C ZINC000852554484 1123408940 /nfs/dbraw/zinc/40/89/40/1123408940.db2.gz OLNPFYDIIVCBOA-UHFFFAOYSA-N 0 3 283.213 3.631 20 30 CHEDHN N#Cc1ccc(C2(NCc3ccc(O)c(F)c3)CCC2)cc1 ZINC000895216743 1123410372 /nfs/dbraw/zinc/41/03/72/1123410372.db2.gz ZWGKWJHEARDBOZ-UHFFFAOYSA-N 0 3 296.345 3.572 20 30 CHEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc2c(c1)CCCO2 ZINC000852779541 1123415077 /nfs/dbraw/zinc/41/50/77/1123415077.db2.gz DCCJWNPLMNMDSD-MRXNPFEDSA-N 0 3 291.394 3.714 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2cc3ccccc3o2)C1 ZINC000185780808 1123611163 /nfs/dbraw/zinc/61/11/63/1123611163.db2.gz WSHVNOOQFDMROM-OCCSQVGLSA-N 0 3 254.333 3.605 20 30 CHEDHN CCCC(=O)Nc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185781847 1123611441 /nfs/dbraw/zinc/61/14/41/1123611441.db2.gz XIAUJRUZYZTQCA-HOCLYGCPSA-N 0 3 299.418 3.597 20 30 CHEDHN C#CC[C@@H](COC)NCc1ccc(-c2cccs2)cc1 ZINC000858333820 1123646039 /nfs/dbraw/zinc/64/60/39/1123646039.db2.gz CERLNLGMQWLSSI-INIZCTEOSA-N 0 3 285.412 3.543 20 30 CHEDHN CCOc1cc(C)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000192952367 1123868581 /nfs/dbraw/zinc/86/85/81/1123868581.db2.gz YMFACWYPEUBGNP-GOEBONIOSA-N 0 3 272.392 3.566 20 30 CHEDHN C=CCCC(C)(C)NCc1occc1Br ZINC000717909906 1129151472 /nfs/dbraw/zinc/15/14/72/1129151472.db2.gz YZWRHILHRTXZQM-UHFFFAOYSA-N 0 3 272.186 3.877 20 30 CHEDHN C=CCC[C@H](O)CNCc1cc(F)c(Cl)cc1Cl ZINC001252589851 1123924733 /nfs/dbraw/zinc/92/47/33/1123924733.db2.gz SDKHFTSJUNQNAC-JTQLQIEISA-N 0 3 292.181 3.549 20 30 CHEDHN CCNN=Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000864897993 1123949833 /nfs/dbraw/zinc/94/98/33/1123949833.db2.gz JXFQFEHXOHAPLX-UHFFFAOYSA-N 0 3 281.403 3.657 20 30 CHEDHN C=CC[C@H](CC)NCc1nccc(C)c1Br ZINC000865553193 1123994571 /nfs/dbraw/zinc/99/45/71/1123994571.db2.gz GCIQPGLHQBCHAC-NSHDSACASA-N 0 3 283.213 3.597 20 30 CHEDHN CCSCC[C@@H](C)N(C)Cc1ccc(C#N)cc1OC ZINC000121467455 1124040584 /nfs/dbraw/zinc/04/05/84/1124040584.db2.gz YMEBTAZZGIXUEP-CYBMUJFWSA-N 0 3 292.448 3.530 20 30 CHEDHN C=C(Cl)CN[C@H](C)CCc1cncc2ccccc21 ZINC000866299525 1124049106 /nfs/dbraw/zinc/04/91/06/1124049106.db2.gz MVNHCMNOEVOCPC-CYBMUJFWSA-N 0 3 274.795 3.898 20 30 CHEDHN N#CCCCN[C@H](CCc1ccccc1)c1ccccn1 ZINC000866337473 1124054112 /nfs/dbraw/zinc/05/41/12/1124054112.db2.gz WSDOFEYPVUUEOK-GOSISDBHSA-N 0 3 279.387 3.649 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OC(F)F)cc2F)C1 ZINC000866541736 1124080456 /nfs/dbraw/zinc/08/04/56/1124080456.db2.gz RUOWCUSEXZGAPX-ZYHUDNBSSA-N 0 3 298.308 3.599 20 30 CHEDHN CCS[C@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000447044584 1124131623 /nfs/dbraw/zinc/13/16/23/1124131623.db2.gz MXHJGQSIHLBZNQ-KRWDZBQOSA-N 0 3 291.435 3.785 20 30 CHEDHN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000819951980 1131271376 /nfs/dbraw/zinc/27/13/76/1131271376.db2.gz ITHSNMJQDPHLIQ-JHJVBQTASA-N 0 3 282.343 3.830 20 30 CHEDHN CCc1nc([C@@H](C)NC2CCC(C)(C#N)CC2)cs1 ZINC000449159319 1124657056 /nfs/dbraw/zinc/65/70/56/1124657056.db2.gz ZFVXHSFTEWQGGA-XIKARTHZSA-N 0 3 277.437 3.829 20 30 CHEDHN C#C[C@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000872139234 1124694469 /nfs/dbraw/zinc/69/44/69/1124694469.db2.gz AIIGDOHTPJXHHF-QRFRQXIXSA-N 0 3 290.410 3.953 20 30 CHEDHN C#C[C@H]1CC[C@H](NCc2csc(C(C)(C)C)n2)CC1 ZINC000873198599 1124751761 /nfs/dbraw/zinc/75/17/61/1124751761.db2.gz RCDZDXSQZOZUMY-JOCQHMNTSA-N 0 3 276.449 3.722 20 30 CHEDHN CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCCC#N ZINC000825720303 1124825454 /nfs/dbraw/zinc/82/54/54/1124825454.db2.gz DORLZFAOJWJEMQ-CYBMUJFWSA-N 0 3 270.298 3.530 20 30 CHEDHN CCc1ccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000124952413 1124827585 /nfs/dbraw/zinc/82/75/85/1124827585.db2.gz WJSYDNNJYNLNNQ-CQSZACIVSA-N 0 3 294.398 3.980 20 30 CHEDHN CCC[C@H]1CCCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000449735198 1124853482 /nfs/dbraw/zinc/85/34/82/1124853482.db2.gz QFZLQYYJPOXMSM-QWHCGFSZSA-N 0 3 277.437 3.711 20 30 CHEDHN CC1=CC[C@](C)(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001123476799 1131315612 /nfs/dbraw/zinc/31/56/12/1131315612.db2.gz OXJHFISLAZEWJY-WBMJQRKESA-N 0 3 290.313 3.673 20 30 CHEDHN CC(C)[C@H]1N(Cc2ccc(C#N)o2)CC12CCCC2 ZINC000449791605 1124874961 /nfs/dbraw/zinc/87/49/61/1124874961.db2.gz POFYBAUOZWZRPV-OAHLLOKOSA-N 0 3 258.365 3.552 20 30 CHEDHN CCCCCCCCCCOC(=O)N1CC[C@@H]1NC ZINC001239335387 1131319149 /nfs/dbraw/zinc/31/91/49/1131319149.db2.gz PBTNVOMXQGPGQQ-CQSZACIVSA-N 0 3 270.417 3.515 20 30 CHEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(C#N)cnc1Cl ZINC000876732869 1124972422 /nfs/dbraw/zinc/97/24/22/1124972422.db2.gz IBYCNIIDJBZMON-UXIGCNINSA-N 0 3 289.810 3.760 20 30 CHEDHN Cc1cc(C)cc(CCNCc2cc(C#N)cnc2Cl)c1 ZINC000877050285 1125003854 /nfs/dbraw/zinc/00/38/54/1125003854.db2.gz KTWAHUQUBXPBGR-UHFFFAOYSA-N 0 3 299.805 3.556 20 30 CHEDHN CCN(Cc1ccc(OCC#N)cc1)Cc1cccc(F)c1 ZINC001137121437 1125037067 /nfs/dbraw/zinc/03/70/67/1125037067.db2.gz LNMRTCSEVVUWFM-UHFFFAOYSA-N 0 3 298.361 3.750 20 30 CHEDHN C#C[C@@H](N[C@H](C)CCc1cccnc1)c1ccc(F)cc1 ZINC000877544279 1125042067 /nfs/dbraw/zinc/04/20/67/1125042067.db2.gz NQGHTIPMYIATKS-RDTXWAMCSA-N 0 3 282.362 3.506 20 30 CHEDHN C[C@@H](CCc1cncc2ccccc21)NCC1(C#N)CCC1 ZINC000877594928 1125049619 /nfs/dbraw/zinc/04/96/19/1125049619.db2.gz MWPYHDXWVVBYHH-HNNXBMFYSA-N 0 3 293.414 3.839 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877605685 1125052246 /nfs/dbraw/zinc/05/22/46/1125052246.db2.gz VUUKNRXPPSXNKD-LBPRGKRZSA-N 0 3 288.778 3.717 20 30 CHEDHN CC1(C)CN(CC2(C#N)CCC2)C[C@@H]1c1ccccc1 ZINC000450591346 1125067069 /nfs/dbraw/zinc/06/70/69/1125067069.db2.gz XBGGBQBEFUVVJE-MRXNPFEDSA-N 0 3 268.404 3.806 20 30 CHEDHN CC[C@H]1CCCCN1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877934065 1125104215 /nfs/dbraw/zinc/10/42/15/1125104215.db2.gz AMLSUHQNQBPRPR-RBUKOAKNSA-N 0 3 298.430 3.692 20 30 CHEDHN C[C@@H](NC[C@H]1CCCC(C)(C)O1)c1ccc(C#N)cc1F ZINC000878406639 1125149828 /nfs/dbraw/zinc/14/98/28/1125149828.db2.gz ADJJNCSFQJUYMN-TZMCWYRMSA-N 0 3 290.382 3.696 20 30 CHEDHN C=CC[C@H](C)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000878513641 1125158432 /nfs/dbraw/zinc/15/84/32/1125158432.db2.gz FMIUPGFXXXMRTG-ZDUSSCGKSA-N 0 3 279.811 3.588 20 30 CHEDHN C[C@@H]1c2ccccc2CCN1CCOc1cccc(C#N)c1 ZINC000530902530 1125185655 /nfs/dbraw/zinc/18/56/55/1125185655.db2.gz XFQNOVLQJAHSOO-OAHLLOKOSA-N 0 3 292.382 3.556 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2coc(-c3ccccc3OC)n2)C1 ZINC000879032211 1125192857 /nfs/dbraw/zinc/19/28/57/1125192857.db2.gz OLUPSMKLGARDLM-CQSZACIVSA-N 0 3 298.386 3.748 20 30 CHEDHN N#Cc1cccc(CN2CCSC3(CCCCC3)C2)c1 ZINC000531426642 1125218644 /nfs/dbraw/zinc/21/86/44/1125218644.db2.gz RQKVIGUTDCPMCI-UHFFFAOYSA-N 0 3 286.444 3.810 20 30 CHEDHN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1CCCC#N ZINC000880286088 1125261872 /nfs/dbraw/zinc/26/18/72/1125261872.db2.gz RZGCJXGKCBEIOL-ZDUSSCGKSA-N 0 3 278.346 3.836 20 30 CHEDHN C=CCCC[C@H](NCc1cnn(C)c1)c1ccccc1 ZINC000880390315 1125272482 /nfs/dbraw/zinc/27/24/82/1125272482.db2.gz YABLTSJBKGTIBW-KRWDZBQOSA-N 0 3 269.392 3.607 20 30 CHEDHN CC(C)Oc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000102397102 1125273229 /nfs/dbraw/zinc/27/32/29/1125273229.db2.gz PSJMFPUUEISQBK-UHFFFAOYSA-N 0 3 294.398 3.977 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cncc(C)c2)c([O-])c1 ZINC000760227254 1125311813 /nfs/dbraw/zinc/31/18/13/1125311813.db2.gz MOUNNQGIRSRZLS-DEDYPNTBSA-N 0 3 297.402 3.561 20 30 CHEDHN C=C(CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000610420468 1125343202 /nfs/dbraw/zinc/34/32/02/1125343202.db2.gz QHBQRNDCXKFAOW-AWEZNQCLSA-N 0 3 282.343 3.959 20 30 CHEDHN CCc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000052201672 1125374994 /nfs/dbraw/zinc/37/49/94/1125374994.db2.gz PUDMQPDKJYYDOR-CQSZACIVSA-N 0 3 264.372 3.971 20 30 CHEDHN CCCCCCCCN(C)Cc1c(C)nn(C)c1C ZINC000740875438 1125383739 /nfs/dbraw/zinc/38/37/39/1125383739.db2.gz ADZOPMWVFPISML-UHFFFAOYSA-N 0 3 265.445 3.829 20 30 CHEDHN C=CCC[C@@H](NCc1ccc(C)nc1Cl)[C@H]1CCCO1 ZINC000883301655 1125392335 /nfs/dbraw/zinc/39/23/35/1125392335.db2.gz GANRYBFIBGPKFN-HUUCEWRRSA-N 0 3 294.826 3.647 20 30 CHEDHN C=CC[C@@H](C)NCc1nc2cc(Br)ccc2o1 ZINC000638609391 1129263594 /nfs/dbraw/zinc/26/35/94/1129263594.db2.gz KZGSTAJAMGQGKQ-SECBINFHSA-N 0 3 295.180 3.645 20 30 CHEDHN N#CCOc1ccc(Cl)cc1CN1CCC[C@@H]1C1CC1 ZINC000735309232 1129340287 /nfs/dbraw/zinc/34/02/87/1129340287.db2.gz JQAFESJAMVPWTI-OAHLLOKOSA-N 0 3 290.794 3.617 20 30 CHEDHN C#CCSCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000740014557 1129410572 /nfs/dbraw/zinc/41/05/72/1129410572.db2.gz MILBQCINKDEOMT-UHFFFAOYSA-N 0 3 297.423 3.515 20 30 CHEDHN CCCCCCCN1CCN(CCc2cccs2)CC1 ZINC000740875357 1129421801 /nfs/dbraw/zinc/42/18/01/1129421801.db2.gz VOJVRSHKOJWBIS-UHFFFAOYSA-N 0 3 294.508 3.879 20 30 CHEDHN CCCCCCCN1CCN(CC(F)F)[C@H](CC)C1 ZINC000766271629 1129443979 /nfs/dbraw/zinc/44/39/79/1129443979.db2.gz WBDBMOHFASENJS-CQSZACIVSA-N 0 3 276.415 3.618 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\CC(C)(C)SC)c([O-])c1 ZINC000743502534 1129528666 /nfs/dbraw/zinc/52/86/66/1129528666.db2.gz CRHIZPJLIPDXJC-BOPFTXTBSA-N 0 3 294.464 3.799 20 30 CHEDHN C#CCN(Cc1ccc(F)c(F)c1)C1CCCCC1 ZINC000744212529 1129560246 /nfs/dbraw/zinc/56/02/46/1129560246.db2.gz FWWNMVDMPVMCTN-UHFFFAOYSA-N 0 3 263.331 3.733 20 30 CHEDHN Cc1nc2ccc(Nc3cc(F)cc(C#N)c3)cc2[nH]1 ZINC001213073147 1129599926 /nfs/dbraw/zinc/59/99/26/1129599926.db2.gz GOPQJRBWOAOKKP-UHFFFAOYSA-N 0 3 266.279 3.626 20 30 CHEDHN C=CCc1cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c([O-])c(OC)c1 ZINC000766379134 1129659862 /nfs/dbraw/zinc/65/98/62/1129659862.db2.gz AAHSPIVTSCEWFU-UONOGXRCSA-N 0 3 289.419 3.607 20 30 CHEDHN C=CCc1cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c([O-])c(OC)c1 ZINC000766379134 1129659866 /nfs/dbraw/zinc/65/98/66/1129659866.db2.gz AAHSPIVTSCEWFU-UONOGXRCSA-N 0 3 289.419 3.607 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2csc([C@H](C)OC)n2)C1 ZINC000651727770 1129745859 /nfs/dbraw/zinc/74/58/59/1129745859.db2.gz AQSBISVXDNEULQ-YNEHKIRRSA-N 0 3 280.437 3.685 20 30 CHEDHN C#C[C@@H](NCc1ccc(SC)s1)C(C)(C)C ZINC000381544757 1129841519 /nfs/dbraw/zinc/84/15/19/1129841519.db2.gz JRZZYLYDFBRRFE-LLVKDONJSA-N 0 3 253.436 3.608 20 30 CHEDHN C#CCCCN1CC=C(c2ccccc2Cl)CC1 ZINC000768793143 1129875319 /nfs/dbraw/zinc/87/53/19/1129875319.db2.gz SLIXIQIAVCBULZ-UHFFFAOYSA-N 0 3 259.780 3.843 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000769999668 1129935546 /nfs/dbraw/zinc/93/55/46/1129935546.db2.gz BFHBFMZVIRQHEU-IIAWOOMASA-N 0 3 282.387 3.715 20 30 CHEDHN CNc1ccc(C)cc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000902529185 1130020710 /nfs/dbraw/zinc/02/07/10/1130020710.db2.gz BBBDNBGETIHIRY-IBGZPJMESA-N 0 3 291.398 3.686 20 30 CHEDHN C=CC[C@@H](N[C@H](C)c1cnccc1C)c1ccncc1 ZINC000772456602 1130024409 /nfs/dbraw/zinc/02/44/09/1130024409.db2.gz SCCYQGNGTVXQNL-RHSMWYFYSA-N 0 3 267.376 3.753 20 30 CHEDHN CC[C@H](NCc1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000902721168 1130043489 /nfs/dbraw/zinc/04/34/89/1130043489.db2.gz VJXNMLMPOIMCFI-INIZCTEOSA-N 0 3 294.354 3.528 20 30 CHEDHN CC[C@@H](N[C@H]1CCc2c1cccc2O)c1cccc(C#N)c1 ZINC000902794717 1130059210 /nfs/dbraw/zinc/05/92/10/1130059210.db2.gz YLAMEEQVOOYQMH-MSOLQXFVSA-N 0 3 292.382 3.992 20 30 CHEDHN C=CCC[C@@H](NCc1cc(CC)no1)[C@@]1(C)CCCCO1 ZINC000902817124 1130062409 /nfs/dbraw/zinc/06/24/09/1130062409.db2.gz VSGUQXCJAKXXSO-IAGOWNOFSA-N 0 3 292.423 3.621 20 30 CHEDHN C=CCC[C@H](NCc1cnc(CC)o1)[C@@]1(C)CCCCO1 ZINC000903012990 1130099984 /nfs/dbraw/zinc/09/99/84/1130099984.db2.gz WKIFAUUPUXOXPU-DOTOQJQBSA-N 0 3 292.423 3.621 20 30 CHEDHN CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000787025534 1130126018 /nfs/dbraw/zinc/12/60/18/1130126018.db2.gz HBPUPMLMLIPELW-ZWKOTPCHSA-N 0 3 292.382 3.992 20 30 CHEDHN C=CCC[C@@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccco1 ZINC000903440534 1130177898 /nfs/dbraw/zinc/17/78/98/1130177898.db2.gz PLEDTGAVMQISSJ-RYRKJORJSA-N 0 3 283.371 3.535 20 30 CHEDHN N#Cc1ccc(OCCCN2CC[C@H]2c2ccccc2)cc1 ZINC000748818986 1130249540 /nfs/dbraw/zinc/24/95/40/1130249540.db2.gz ACQVVGJVJAOGJE-IBGZPJMESA-N 0 3 292.382 3.774 20 30 CHEDHN CCC[C@@H](CCc1ccccc1)N1CC[C@H](C#N)C1 ZINC001254497993 1130255543 /nfs/dbraw/zinc/25/55/43/1130255543.db2.gz GMNYUVYTASJHRE-SJORKVTESA-N 0 3 256.393 3.633 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCC[C@H](CC)C2)n1 ZINC000789759200 1130275652 /nfs/dbraw/zinc/27/56/52/1130275652.db2.gz PZWOVEUSJVJDCE-DLBZAZTESA-N 0 3 287.451 3.555 20 30 CHEDHN N#CC(C(=O)CCC1CC1)c1nccc2ccccc21 ZINC000792094654 1130431326 /nfs/dbraw/zinc/43/13/26/1130431326.db2.gz PDSYLAMIERRYHD-HNNXBMFYSA-N 0 3 264.328 3.601 20 30 CHEDHN C=CCCCNc1cccc(N2CCCC[C@@H]2C)n1 ZINC001170298506 1130476628 /nfs/dbraw/zinc/47/66/28/1130476628.db2.gz FBAYVWCKQYYNDX-AWEZNQCLSA-N 0 3 259.397 3.839 20 30 CHEDHN C[C@H](Cc1ccccc1Cl)N1CCC[C@@H](CC#N)C1 ZINC001170283387 1130479914 /nfs/dbraw/zinc/47/99/14/1130479914.db2.gz KSBIXRLFABJZCD-KGLIPLIRSA-N 0 3 276.811 3.897 20 30 CHEDHN N#CC1(c2ccccc2)CCC(N2CCC[C@@H](F)C2)CC1 ZINC001170386748 1130488365 /nfs/dbraw/zinc/48/83/65/1130488365.db2.gz KYNUREDQFSUPFK-WWDZGPRUSA-N 0 3 286.394 3.824 20 30 CHEDHN N#CC1(c2ccccc2)CCC(N2CC(C(F)F)C2)CC1 ZINC001170403374 1130490624 /nfs/dbraw/zinc/49/06/24/1130490624.db2.gz DZJGUHCONOIEMB-UHFFFAOYSA-N 0 3 290.357 3.587 20 30 CHEDHN CC[C@@H](CC#N)NCC1(Cc2ccccc2C)CC1 ZINC001255160575 1130516078 /nfs/dbraw/zinc/51/60/78/1130516078.db2.gz LQAJZMRHBLGCCT-INIZCTEOSA-N 0 3 256.393 3.600 20 30 CHEDHN C=CCOCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000679486443 1130533021 /nfs/dbraw/zinc/53/30/21/1130533021.db2.gz MJKOEVOGZOABDZ-UHFFFAOYSA-N 0 3 291.778 3.892 20 30 CHEDHN C=CCOCCN[C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000679576179 1130541307 /nfs/dbraw/zinc/54/13/07/1130541307.db2.gz KDGRCBCLQNJIAA-CQSZACIVSA-N 0 3 273.376 3.903 20 30 CHEDHN CN(CCc1ccccc1F)Cc1ccc(F)c(C#N)c1 ZINC000758720892 1130559604 /nfs/dbraw/zinc/55/96/04/1130559604.db2.gz NMIDNXRTXDVPML-UHFFFAOYSA-N 0 3 286.325 3.511 20 30 CHEDHN C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1nnc(CC)[n-]1 ZINC000793548748 1130568638 /nfs/dbraw/zinc/56/86/38/1130568638.db2.gz VERPDHJANIKVDR-CHWSQXEVSA-N 0 3 264.417 3.543 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1ncnn1-c1ccccc1 ZINC000793565519 1130570438 /nfs/dbraw/zinc/57/04/38/1130570438.db2.gz LSBRPYWWVCCPQS-INIZCTEOSA-N 0 3 298.434 3.882 20 30 CHEDHN C#C[C@@H](N[C@@H](C)CC1(OC)CCC1)c1ccc(Cl)cc1 ZINC000811516698 1130615199 /nfs/dbraw/zinc/61/51/99/1130615199.db2.gz TWNZZYOGHXGXFX-XJKSGUPXSA-N 0 3 291.822 3.952 20 30 CHEDHN C(=NOC1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000812236867 1130677131 /nfs/dbraw/zinc/67/71/31/1130677131.db2.gz XRCSBMDYXOWENK-UHFFFAOYSA-N 0 3 258.365 3.580 20 30 CHEDHN [O-]c1c(C[NH+]2CCC(S)CC2)cccc1-c1ccccc1 ZINC001234997237 1130701198 /nfs/dbraw/zinc/70/11/98/1130701198.db2.gz WKKBQDUTAABMOS-UHFFFAOYSA-N 0 3 299.439 3.953 20 30 CHEDHN C#C[C@H](NC1CCC(C(F)F)CC1)c1ccc(F)cc1 ZINC000812793778 1130717660 /nfs/dbraw/zinc/71/76/60/1130717660.db2.gz DLPMPGCWSGZXLV-ZALBZXLWSA-N 0 3 281.321 3.914 20 30 CHEDHN C#C[C@@H](NC1CCC2(CC2)CC1)c1ccc(F)cc1 ZINC000812794162 1130718267 /nfs/dbraw/zinc/71/82/67/1130718267.db2.gz SRXPGIXPPROZJJ-MRXNPFEDSA-N 0 3 257.352 3.812 20 30 CHEDHN CC1(C)CC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000781771273 1130739050 /nfs/dbraw/zinc/73/90/50/1130739050.db2.gz CIVWVTFTFSEVAT-VXGBXAGGSA-N 0 3 282.343 3.830 20 30 CHEDHN CC(C)(C)c1ccc(C[NH+]2CCC(C)(C#N)CC2)c([O-])c1 ZINC001235677191 1130765719 /nfs/dbraw/zinc/76/57/19/1130765719.db2.gz CLIPVLBZYHXMGG-UHFFFAOYSA-N 0 3 286.419 3.815 20 30 CHEDHN N#Cc1ccc(CNCc2ccc3c(c2)CCCC3)cc1 ZINC000813771273 1130783522 /nfs/dbraw/zinc/78/35/22/1130783522.db2.gz TZHXYVIVHGVMLG-UHFFFAOYSA-N 0 3 276.383 3.727 20 30 CHEDHN Cc1nc2cc(CN3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc2s1 ZINC001235864363 1130788306 /nfs/dbraw/zinc/78/83/06/1130788306.db2.gz XZUMOCGVHHKVFF-QKDCVEJESA-N 0 3 297.427 3.871 20 30 CHEDHN C#C[C@H](N[C@H](C)c1cc2ccccc2s1)[C@@H]1CCCO1 ZINC000783294237 1130812605 /nfs/dbraw/zinc/81/26/05/1130812605.db2.gz IMXYESFKLVKWGR-SNPRPXQTSA-N 0 3 285.412 3.733 20 30 CHEDHN C=CCCSCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000696127620 1130816665 /nfs/dbraw/zinc/81/66/65/1130816665.db2.gz USYVXVFZUZLWOX-CYBMUJFWSA-N 0 3 265.422 3.661 20 30 CHEDHN N#Cc1cnccc1-c1cccc(CN2CCCCC2)c1F ZINC001236012714 1130831655 /nfs/dbraw/zinc/83/16/55/1130831655.db2.gz TZLHUNIFFLGQGM-UHFFFAOYSA-N 0 3 295.361 3.745 20 30 CHEDHN C[C@H]1CCCC[C@H]1C=Nn1cnnc1-c1ccccc1 ZINC000783821142 1130856375 /nfs/dbraw/zinc/85/63/75/1130856375.db2.gz KCHLYBGDTCMUAZ-ZFWWWQNUSA-N 0 3 268.364 3.605 20 30 CHEDHN N#Cc1cccc(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236235027 1130900480 /nfs/dbraw/zinc/90/04/80/1130900480.db2.gz SAIZGMBYKACTJJ-UHFFFAOYSA-N 0 3 295.361 3.745 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)c1ccccn1 ZINC000796784437 1130932309 /nfs/dbraw/zinc/93/23/09/1130932309.db2.gz UXBZBFSUTGWGBN-JJXSEGSLSA-N 0 3 282.387 3.864 20 30 CHEDHN CCC(=NNCC1(C)CCCC1)c1cccc(N)c1 ZINC000814937595 1130939893 /nfs/dbraw/zinc/93/98/93/1130939893.db2.gz LYVDBECDQIHCEG-UHFFFAOYSA-N 0 3 259.397 3.553 20 30 CHEDHN Cc1cc(C)c([C@H](C)NCc2cc(C#N)ccc2F)c(O)c1 ZINC000815595363 1131005896 /nfs/dbraw/zinc/00/58/96/1131005896.db2.gz OVOZTLFQXQZTTC-ZDUSSCGKSA-N 0 3 298.361 3.871 20 30 CHEDHN Cc1cc([C@H](C)N[C@H](CCCC#N)c2ccccc2)n(C)n1 ZINC000815635604 1131014392 /nfs/dbraw/zinc/01/43/92/1131014392.db2.gz GISNMKNFELGQKV-DOTOQJQBSA-N 0 3 296.418 3.814 20 30 CHEDHN CC(C)(CC(=O)C(C#N)c1nc2ccccc2o1)C1CC1 ZINC000815915000 1131035205 /nfs/dbraw/zinc/03/52/05/1131035205.db2.gz ADWNFKGQPBNPRM-GFCCVEGCSA-N 0 3 282.343 3.830 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cncc(-c3ccc(C)cc3)c2)C1 ZINC001237004035 1131036577 /nfs/dbraw/zinc/03/65/77/1131036577.db2.gz VOOQDQYLZDEHIV-QGZVFWFLSA-N 0 3 290.410 3.902 20 30 CHEDHN C=C(Cl)CN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000798930094 1131062222 /nfs/dbraw/zinc/06/22/22/1131062222.db2.gz JKGVWDHUHDLOPG-JTQLQIEISA-N 0 3 277.717 3.979 20 30 CHEDHN C=C(Cl)CN[C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000168837247 1131080575 /nfs/dbraw/zinc/08/05/75/1131080575.db2.gz VAKNEAQFRISTPH-GXSJLCMTSA-N 0 3 251.757 3.591 20 30 CHEDHN Cc1cc(F)cc(C)c1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237320321 1131082450 /nfs/dbraw/zinc/08/24/50/1131082450.db2.gz CVACESUMEGAKKY-MKZZRHPPSA-N 0 3 272.367 3.709 20 30 CHEDHN Cn1cc(CN2CCCC[C@](C)(F)C2)c2cc(C#N)ccc21 ZINC001237464947 1131102150 /nfs/dbraw/zinc/10/21/50/1131102150.db2.gz GXWJTNFBRXFXMC-SFHVURJKSA-N 0 3 299.393 3.764 20 30 CHEDHN CC[C@H](c1ccccc1)N(C)Cc1ccnc(C#N)c1 ZINC001237465624 1131102615 /nfs/dbraw/zinc/10/26/15/1131102615.db2.gz JBQZJEJYNDRYAG-QGZVFWFLSA-N 0 3 265.360 3.536 20 30 CHEDHN Cn1cc(CN2CCCC[C@@](C)(F)C2)c2cc(C#N)ccc21 ZINC001237464942 1131102999 /nfs/dbraw/zinc/10/29/99/1131102999.db2.gz GXWJTNFBRXFXMC-GOSISDBHSA-N 0 3 299.393 3.764 20 30 CHEDHN SC1CCN(Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237545323 1131112487 /nfs/dbraw/zinc/11/24/87/1131112487.db2.gz ATNIUCBUUSUILE-UHFFFAOYSA-N 0 3 284.428 3.643 20 30 CHEDHN COc1ccc(C)c(CN(C)Cc2cccc(C#N)c2)c1 ZINC001237715425 1131132744 /nfs/dbraw/zinc/13/27/44/1131132744.db2.gz LAEKAAOOGCEERI-UHFFFAOYSA-N 0 3 280.371 3.507 20 30 CHEDHN C=CCCCC[N@@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238066020 1131166077 /nfs/dbraw/zinc/16/60/77/1131166077.db2.gz DESBVCYIVTYNRF-UHFFFAOYSA-N 0 3 251.345 3.628 20 30 CHEDHN C=CCCCC[N@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238066020 1131166078 /nfs/dbraw/zinc/16/60/78/1131166078.db2.gz DESBVCYIVTYNRF-UHFFFAOYSA-N 0 3 251.345 3.628 20 30 CHEDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238191254 1131177918 /nfs/dbraw/zinc/17/79/18/1131177918.db2.gz KOFLSJKBFGMXAV-VXGBXAGGSA-N 0 3 262.784 3.690 20 30 CHEDHN C=C[C@@H](COC)NCc1ccc(C2CCCC2)cc1 ZINC001117657314 1131190864 /nfs/dbraw/zinc/19/08/64/1131190864.db2.gz SFMSXTKURLBIAQ-KRWDZBQOSA-N 0 3 259.393 3.635 20 30 CHEDHN C=CCO[C@H]1CCN(Cc2cc3ccccc3cc2OC)C1 ZINC001117744865 1131196147 /nfs/dbraw/zinc/19/61/47/1131196147.db2.gz ZAWGVOZCLIRQGD-SFHVURJKSA-N 0 3 297.398 3.625 20 30 CHEDHN Cc1ccc(OC(C)C)cc1CN1CCC[C@@H](C#N)CC1 ZINC001238486481 1131208029 /nfs/dbraw/zinc/20/80/29/1131208029.db2.gz RJXXAJKHQPIAQZ-MRXNPFEDSA-N 0 3 286.419 3.908 20 30 CHEDHN C#CC1CCN(Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238516304 1131212644 /nfs/dbraw/zinc/21/26/44/1131212644.db2.gz MVJUNORJTCDRPZ-UHFFFAOYSA-N 0 3 257.352 3.548 20 30 CHEDHN C=CC[C@@H](NCc1csc(C)c1)c1ccncc1 ZINC000823887289 1131447131 /nfs/dbraw/zinc/44/71/31/1131447131.db2.gz DWMXWPMOOAXQTR-OAHLLOKOSA-N 0 3 258.390 3.859 20 30 CHEDHN C#C[C@H](N[C@@H]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1 ZINC000824414912 1131469297 /nfs/dbraw/zinc/46/92/97/1131469297.db2.gz DQYWNBCZAKKTHH-PMPSAXMXSA-N 0 3 277.795 3.562 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(OCCC)cc2)c1 ZINC000825225998 1131502719 /nfs/dbraw/zinc/50/27/19/1131502719.db2.gz CYGIQHFRYXPFBB-UHFFFAOYSA-N 0 3 279.383 3.747 20 30 CHEDHN C#CCN(CCCCOC(C)(C)C)Cc1ccc(F)cc1 ZINC000789308948 1131502845 /nfs/dbraw/zinc/50/28/45/1131502845.db2.gz CJSMVOXGOPCXFV-UHFFFAOYSA-N 0 3 291.410 3.856 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)Cc2ccccc2)c1[O-] ZINC001138623868 1131528233 /nfs/dbraw/zinc/52/82/33/1131528233.db2.gz JNYOGKTZUNFUQK-UHFFFAOYSA-N 0 3 267.372 3.753 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccccc2)c1[O-] ZINC001138623868 1131528237 /nfs/dbraw/zinc/52/82/37/1131528237.db2.gz JNYOGKTZUNFUQK-UHFFFAOYSA-N 0 3 267.372 3.753 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2C(C)(C)OC)c1[O-] ZINC001138628395 1131529611 /nfs/dbraw/zinc/52/96/11/1131529611.db2.gz UDOZEKXZBCAKKU-INIZCTEOSA-N 0 3 289.419 3.510 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c1[O-] ZINC001138628395 1131529613 /nfs/dbraw/zinc/52/96/13/1131529613.db2.gz UDOZEKXZBCAKKU-INIZCTEOSA-N 0 3 289.419 3.510 20 30 CHEDHN C=CCOc1ccccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139030278 1131574677 /nfs/dbraw/zinc/57/46/77/1131574677.db2.gz IEYFSVRNJBMZRM-XGBSXSJOSA-N 0 3 282.387 3.518 20 30 CHEDHN C=CCOc1ccccc1CN1CCC[C@@H](C(F)F)C1 ZINC001139029552 1131575029 /nfs/dbraw/zinc/57/50/29/1131575029.db2.gz DEOWOLVRRILIAS-CQSZACIVSA-N 0 3 281.346 3.729 20 30 CHEDHN CCCCCCCN(C)Cc1cnn(CCC)c1 ZINC001139040699 1131575977 /nfs/dbraw/zinc/57/59/77/1131575977.db2.gz MULPLQMXKRBMHJ-UHFFFAOYSA-N 0 3 251.418 3.695 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(OC)c(OC)n1 ZINC001139106610 1131582310 /nfs/dbraw/zinc/58/23/10/1131582310.db2.gz JUIFSYDMXYSNKQ-UHFFFAOYSA-N 0 3 280.412 3.501 20 30 CHEDHN C[C@@H]1CCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139426710 1131608973 /nfs/dbraw/zinc/60/89/73/1131608973.db2.gz JPKBATUXYGUHKN-CQSZACIVSA-N 0 3 293.370 3.587 20 30 CHEDHN N#Cc1cccc2c(CN3CC[C@@H]3c3ccccc3)c[nH]c21 ZINC001139706161 1131629870 /nfs/dbraw/zinc/62/98/70/1131629870.db2.gz MREXHKXFILDHKW-GOSISDBHSA-N 0 3 287.366 3.987 20 30 CHEDHN CCCCCCCN(CC)Cc1cn2ccncc2n1 ZINC001139696789 1131629895 /nfs/dbraw/zinc/62/98/95/1131629895.db2.gz BCEUOHBMFGUUIV-UHFFFAOYSA-N 0 3 274.412 3.522 20 30 CHEDHN CCCN(Cc1cccc(Cl)c1C#N)C1CCOCC1 ZINC001139693850 1131630488 /nfs/dbraw/zinc/63/04/88/1131630488.db2.gz SDSLZRLOOZHJGQ-UHFFFAOYSA-N 0 3 292.810 3.603 20 30 CHEDHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc2ccccc2n1 ZINC000845438176 1131633993 /nfs/dbraw/zinc/63/39/93/1131633993.db2.gz KXVXLUNNJIXAEN-ARFHVFGLSA-N 0 3 290.366 3.847 20 30 CHEDHN C[C@H]1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000845447183 1131635403 /nfs/dbraw/zinc/63/54/03/1131635403.db2.gz ZWSRGWIPRDVRNL-JHJVBQTASA-N 0 3 282.343 3.830 20 30 CHEDHN N=C(Nc1ccccc1)c1ccc2cc(O)ccc2c1 ZINC001171183913 1131635815 /nfs/dbraw/zinc/63/58/15/1131635815.db2.gz BOVGIQCAMHTRKM-UHFFFAOYSA-N 0 3 262.312 3.582 20 30 CHEDHN N#Cc1cc(F)cc(CN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001139875581 1131643567 /nfs/dbraw/zinc/64/35/67/1131643567.db2.gz UZTVPMWMFWSKKJ-INIZCTEOSA-N 0 3 294.373 3.762 20 30 CHEDHN C=CCN(Cc1ccnc(SC)n1)C1CCCCC1 ZINC001140039340 1131659238 /nfs/dbraw/zinc/65/92/38/1131659238.db2.gz VRFKSCVVBNFWKR-UHFFFAOYSA-N 0 3 277.437 3.519 20 30 CHEDHN C#Cc1ccc(CN2CCC[C@H]2c2ccc(C)nc2)cc1 ZINC001144578472 1131660932 /nfs/dbraw/zinc/66/09/32/1131660932.db2.gz CPDCSUAUVRGMTM-IBGZPJMESA-N 0 3 276.383 3.708 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CC4CCC(CC4)C3)c2c1 ZINC001140116453 1131665469 /nfs/dbraw/zinc/66/54/69/1131665469.db2.gz ZPHOBDZKGARSBJ-UHFFFAOYSA-N 0 3 279.387 3.662 20 30 CHEDHN C=CC[C@H](NCc1cccc2c1CCC2)c1ccncc1 ZINC000845942117 1131672884 /nfs/dbraw/zinc/67/28/84/1131672884.db2.gz QKUWCKYMNVEZAM-IBGZPJMESA-N 0 3 278.399 3.977 20 30 CHEDHN C=CC[C@@H](N[C@H](CC)c1ccncc1)c1ccncc1 ZINC000834589629 1131685719 /nfs/dbraw/zinc/68/57/19/1131685719.db2.gz MIONSUPULVVEJR-IAGOWNOFSA-N 0 3 267.376 3.835 20 30 CHEDHN N#C[C@H]1CCCN(Cc2cccc(-c3nccs3)c2)CC1 ZINC001140337184 1131702491 /nfs/dbraw/zinc/70/24/91/1131702491.db2.gz GGVHIXYLCAHXCR-AWEZNQCLSA-N 0 3 297.427 3.936 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2ccc(F)cc2C1 ZINC001171222977 1131707546 /nfs/dbraw/zinc/70/75/46/1131707546.db2.gz KWJUWVFHGKCBAF-AWEZNQCLSA-N 0 3 294.373 3.687 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2cc(F)ccc2C1 ZINC001171229278 1131712574 /nfs/dbraw/zinc/71/25/74/1131712574.db2.gz LLASDMMPYJPESL-AWEZNQCLSA-N 0 3 294.373 3.687 20 30 CHEDHN C#CCOc1ccc(CN[C@@H](c2cccnc2)C(C)C)cc1 ZINC000834887987 1131719059 /nfs/dbraw/zinc/71/90/59/1131719059.db2.gz BGOMDKGIJGGWAR-LJQANCHMSA-N 0 3 294.398 3.581 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(C)nc2C)cc1 ZINC000834890061 1131719231 /nfs/dbraw/zinc/71/92/31/1131719231.db2.gz IKBLYHDOZPIBBC-OAHLLOKOSA-N 0 3 294.398 3.561 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1ccc(O)c(C)c1 ZINC001140576816 1131802973 /nfs/dbraw/zinc/80/29/73/1131802973.db2.gz BNFULVJVHYTQQU-UHFFFAOYSA-N 0 3 267.372 3.889 20 30 CHEDHN COC(C)(C)[C@H]1CCCN1Cc1cc(C#N)ccc1Cl ZINC001140601580 1131822333 /nfs/dbraw/zinc/82/23/33/1131822333.db2.gz UITWNPYIUZCBBU-OAHLLOKOSA-N 0 3 292.810 3.601 20 30 CHEDHN C=CC[C@@H](CC)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000798958612 1131846408 /nfs/dbraw/zinc/84/64/08/1131846408.db2.gz FZPRCXVAJRFLLM-CYBMUJFWSA-N 0 3 298.224 3.907 20 30 CHEDHN CN(Cc1cccc(C#N)c1Cl)C1CCCCC1 ZINC001140806713 1131928172 /nfs/dbraw/zinc/92/81/72/1131928172.db2.gz OVXXRWYHEWFANY-UHFFFAOYSA-N 0 3 262.784 3.976 20 30 CHEDHN CC(=NN[C@@H]1CCCCC1(C)C)c1ccc(N)cc1 ZINC000773127255 1131953793 /nfs/dbraw/zinc/95/37/93/1131953793.db2.gz ZPLVHZJXQVCDIQ-OAHLLOKOSA-N 0 3 259.397 3.551 20 30 CHEDHN CCCCCCCN(C)Cc1c(N)cccc1F ZINC001140874635 1131953975 /nfs/dbraw/zinc/95/39/75/1131953975.db2.gz DGGSSVCNUHHFBJ-UHFFFAOYSA-N 0 3 252.377 3.810 20 30 CHEDHN C[C@H](Oc1ccc2c(c1)CCN(C)C2)c1ccccc1C#N ZINC001228945046 1131983662 /nfs/dbraw/zinc/98/36/62/1131983662.db2.gz SPUVJYJIAPUMIO-AWEZNQCLSA-N 0 3 292.382 3.686 20 30 CHEDHN C[C@H](NCc1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000037211060 1132022839 /nfs/dbraw/zinc/02/28/39/1132022839.db2.gz VSTLVLHVGDZYNR-ZDUSSCGKSA-N 0 3 284.334 3.579 20 30 CHEDHN Cc1ccc(CC[C@H](C)N2CC[C@](C)(C#N)C2)cc1 ZINC001171681379 1132079953 /nfs/dbraw/zinc/07/99/53/1132079953.db2.gz GALZCEGAXHUIOK-DOTOQJQBSA-N 0 3 256.393 3.552 20 30 CHEDHN C=C1CC=C(F)C=C1N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171735474 1132098107 /nfs/dbraw/zinc/09/81/07/1132098107.db2.gz WLCFLNRTAYNGNT-QAPCUYQASA-N 0 3 298.405 3.936 20 30 CHEDHN CN(C)Cc1ccccc1O[C@H](C#N)c1cccc(F)c1 ZINC001229701967 1132108154 /nfs/dbraw/zinc/10/81/54/1132108154.db2.gz NBJNRGYPSUFAPH-QGZVFWFLSA-N 0 3 284.334 3.531 20 30 CHEDHN C=CCN(C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@H](C)COC ZINC001171917118 1132109471 /nfs/dbraw/zinc/10/94/71/1132109471.db2.gz UVHLTNPFUMBRBE-KBMXLJTQSA-N 0 3 295.373 3.558 20 30 CHEDHN CC[C@@H](C)OCC[C@H](C)N(CCC#N)C1CCCC1 ZINC001172338840 1132176497 /nfs/dbraw/zinc/17/64/97/1132176497.db2.gz CXYRUPGIHQXNKA-LSDHHAIUSA-N 0 3 266.429 3.738 20 30 CHEDHN CCCCCCC[C@H](CC)n1ncc2c1CCNC2 ZINC001172356039 1132185660 /nfs/dbraw/zinc/18/56/60/1132185660.db2.gz GLGNZMUNFMYQFF-HNNXBMFYSA-N 0 3 263.429 3.840 20 30 CHEDHN C[C@@H](CCCC#N)NCc1cc(F)ccc1Br ZINC001172482248 1132229767 /nfs/dbraw/zinc/22/97/67/1132229767.db2.gz DBKLDANYPKZHGS-JTQLQIEISA-N 0 3 299.187 3.760 20 30 CHEDHN C[C@H](CCCC#N)NCc1nccc(Cl)c1Cl ZINC001172486313 1132231406 /nfs/dbraw/zinc/23/14/06/1132231406.db2.gz BCHKPYVBLUWVLF-SECBINFHSA-N 0 3 272.179 3.560 20 30 CHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1[C@@H](C)CCCC#N ZINC001172484493 1132231519 /nfs/dbraw/zinc/23/15/19/1132231519.db2.gz FMRBBGUTODJHCD-KBPBESRZSA-N 0 3 282.391 3.825 20 30 CHEDHN C[C@H](CCCC#N)NCc1c(F)cccc1Br ZINC001172494017 1132248176 /nfs/dbraw/zinc/24/81/76/1132248176.db2.gz XOFKIZJMGQMZBJ-SNVBAGLBSA-N 0 3 299.187 3.760 20 30 CHEDHN C[C@H](CCCC#N)N1CCc2c(Cl)cccc2C1 ZINC001172499651 1132250019 /nfs/dbraw/zinc/25/00/19/1132250019.db2.gz FRKSKLBCXSMXKV-GFCCVEGCSA-N 0 3 262.784 3.780 20 30 CHEDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)CC#N)c1[O-] ZINC000840788040 1132288010 /nfs/dbraw/zinc/28/80/10/1132288010.db2.gz UWEISYXCVUNFRD-LLVKDONJSA-N 0 3 280.799 3.945 20 30 CHEDHN C=CCOc1cccc(C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001231624823 1132329110 /nfs/dbraw/zinc/32/91/10/1132329110.db2.gz XNDSFRQOYRLDRM-UHFFFAOYSA-N 0 3 295.382 3.515 20 30 CHEDHN C=CCOc1cccc(C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001231624823 1132329114 /nfs/dbraw/zinc/32/91/14/1132329114.db2.gz XNDSFRQOYRLDRM-UHFFFAOYSA-N 0 3 295.382 3.515 20 30 CHEDHN C#Cc1cccc(CN2CCC[C@H]2c2ccc(C)nc2)c1 ZINC001231660548 1132339041 /nfs/dbraw/zinc/33/90/41/1132339041.db2.gz HVFTZTBNVIEESF-IBGZPJMESA-N 0 3 276.383 3.708 20 30 CHEDHN C#Cc1cccc(CN(CC)Cc2cccc(OC)c2)c1 ZINC001231662626 1132339649 /nfs/dbraw/zinc/33/96/49/1132339649.db2.gz IRQWYRJNHFBFHL-UHFFFAOYSA-N 0 3 279.383 3.699 20 30 CHEDHN C[C@@H](Cc1ccc(F)cc1Cl)NCc1ccc(C#N)o1 ZINC001172858280 1132343785 /nfs/dbraw/zinc/34/37/85/1132343785.db2.gz LIDCESJLVCWEHY-JTQLQIEISA-N 0 3 292.741 3.665 20 30 CHEDHN C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000841762124 1132396867 /nfs/dbraw/zinc/39/68/67/1132396867.db2.gz LYQQQNUHPKZALO-UGSOOPFHSA-N 0 3 292.382 3.992 20 30 CHEDHN CCCCCCCCCCN(C)Cc1ccc(=O)[nH]n1 ZINC001232029388 1132412726 /nfs/dbraw/zinc/41/27/26/1132412726.db2.gz YXYMQQNRBUAPGT-UHFFFAOYSA-N 0 3 279.428 3.755 20 30 CHEDHN C[C@H]1CCCCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112166 1132424688 /nfs/dbraw/zinc/42/46/88/1132424688.db2.gz QCPDDTFDYGHHSP-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN COCC[C@@H]1CCCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232117526 1132425505 /nfs/dbraw/zinc/42/55/05/1132425505.db2.gz BXLKZMIKKMRUCI-HNNXBMFYSA-N 0 3 292.810 3.603 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccncc3)C2)cc1Cl ZINC001232119576 1132426305 /nfs/dbraw/zinc/42/63/05/1132426305.db2.gz GXAOXNOPGDSPIT-INIZCTEOSA-N 0 3 297.789 3.596 20 30 CHEDHN CCCCCCCC[C@@H](CCC)n1[nH]c(=O)nc1CN ZINC001173310070 1132450439 /nfs/dbraw/zinc/45/04/39/1132450439.db2.gz OUKAQXVMGUZQMW-CYBMUJFWSA-N 0 3 282.432 3.534 20 30 CHEDHN CCCCCCCC[C@@H](CCC)n1[n-]c(=O)nc1C[NH3+] ZINC001173310070 1132450442 /nfs/dbraw/zinc/45/04/42/1132450442.db2.gz OUKAQXVMGUZQMW-CYBMUJFWSA-N 0 3 282.432 3.534 20 30 CHEDHN C=CCN(Cc1ccc(Br)nc1C)C(C)(C)C ZINC001232327524 1132454112 /nfs/dbraw/zinc/45/41/12/1132454112.db2.gz XHGYZAUBVNCGBM-UHFFFAOYSA-N 0 3 297.240 3.939 20 30 CHEDHN N#CC(C(=O)C=CC1CCCC1)c1cnc2ccccc2n1 ZINC000842776790 1132460917 /nfs/dbraw/zinc/46/09/17/1132460917.db2.gz ZWZXEZAZKQYRTO-ATWMFIQVSA-N 0 3 291.354 3.552 20 30 CHEDHN N#CC(C(=O)C=CC1CCCC1)c1cnc2ccccc2n1 ZINC000842776796 1132460995 /nfs/dbraw/zinc/46/09/95/1132460995.db2.gz ZWZXEZAZKQYRTO-HBWSCVEGSA-N 0 3 291.354 3.552 20 30 CHEDHN C=CCN(Cc1cncc(Br)c1C)C(C)(C)C ZINC001232531444 1132484285 /nfs/dbraw/zinc/48/42/85/1132484285.db2.gz KSDDAZDPJFSWRI-UHFFFAOYSA-N 0 3 297.240 3.939 20 30 CHEDHN Cc1cccc(CN2CCC[C@@H](C#N)CC2)c1OC(C)C ZINC001232391285 1132464085 /nfs/dbraw/zinc/46/40/85/1132464085.db2.gz JSDMQDBVQFTSAQ-MRXNPFEDSA-N 0 3 286.419 3.908 20 30 CHEDHN CC(=O)c1ccc2c(c1)CN(C1CCC(CC#N)CC1)CC2 ZINC001173338139 1132466332 /nfs/dbraw/zinc/46/63/32/1132466332.db2.gz ZBIROUOXKCAEGG-UHFFFAOYSA-N 0 3 296.414 3.720 20 30 CHEDHN N#Cc1cnc(CN[C@@H]2CCCC3(CCCCC3)C2)s1 ZINC001173342154 1132469188 /nfs/dbraw/zinc/46/91/88/1132469188.db2.gz VRMBXFXGACGBOP-CYBMUJFWSA-N 0 3 289.448 3.997 20 30 CHEDHN C=CCCCCN(C)Cc1cncc(Br)c1C ZINC001232531779 1132484411 /nfs/dbraw/zinc/48/44/11/1132484411.db2.gz RGGFSMCSNLAYQC-UHFFFAOYSA-N 0 3 297.240 3.941 20 30 CHEDHN C=CCN(Cc1cc(OCC)ccn1)C1CCCCC1 ZINC001232585705 1132489062 /nfs/dbraw/zinc/48/90/62/1132489062.db2.gz GQZFQELOWOYRSA-UHFFFAOYSA-N 0 3 274.408 3.801 20 30 CHEDHN CN(Cc1cnc(Cl)s1)C1CCC(C)(C#N)CC1 ZINC001173593752 1132498213 /nfs/dbraw/zinc/49/82/13/1132498213.db2.gz NAHMNRFLPWEBAL-UHFFFAOYSA-N 0 3 283.828 3.701 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccc(C)nc1N ZINC001143204155 1132517120 /nfs/dbraw/zinc/51/71/20/1132517120.db2.gz ZMWSOFHDIKHQBO-UHFFFAOYSA-N 0 3 281.403 3.551 20 30 CHEDHN Cc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c(C#N)c1 ZINC001232968260 1132552291 /nfs/dbraw/zinc/55/22/91/1132552291.db2.gz FEINKJSFHOTGML-HZPDHXFCSA-N 0 3 268.404 3.879 20 30 CHEDHN Cc1cc(C#N)cc(C#N)c1Nc1ccccc1CN(C)C ZINC001173932074 1132646195 /nfs/dbraw/zinc/64/61/95/1132646195.db2.gz NQFZBQBIEVSNDM-UHFFFAOYSA-N 0 3 290.370 3.544 20 30 CHEDHN Cc1cnccc1Nc1ccc(Cl)c(C#N)c1Cl ZINC001174538352 1132897892 /nfs/dbraw/zinc/89/78/92/1132897892.db2.gz GWVDQSUJXPWUNZ-UHFFFAOYSA-N 0 3 278.142 3.734 20 30 CHEDHN N#CC1(CNc2ccc(F)c(CN3CCCC3)c2)CCC1 ZINC001162414401 1133076694 /nfs/dbraw/zinc/07/66/94/1133076694.db2.gz AVNKUZHWAJSCFJ-UHFFFAOYSA-N 0 3 287.382 3.527 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)c(F)c1 ZINC000250887359 1133107486 /nfs/dbraw/zinc/10/74/86/1133107486.db2.gz JRUKQVQFJSOXHL-CABCVRRESA-N 0 3 272.367 3.709 20 30 CHEDHN SCc1ccccc1NCC1CN(Cc2ccccc2)C1 ZINC001165469965 1133242861 /nfs/dbraw/zinc/24/28/61/1133242861.db2.gz VEISVAOWAQKTTQ-UHFFFAOYSA-N 0 3 298.455 3.660 20 30 CHEDHN C#CC1(NCc2cccc(C(F)(F)F)c2)CCCC1 ZINC001203472713 1133332678 /nfs/dbraw/zinc/33/26/78/1133332678.db2.gz YNTFJULTBLLBBB-UHFFFAOYSA-N 0 3 267.294 3.741 20 30 CHEDHN C[C@H](COCC1CCCCC1)NCc1cc(C#N)cs1 ZINC001203750603 1133364999 /nfs/dbraw/zinc/36/49/99/1133364999.db2.gz MMNOKCORAIOCRZ-CYBMUJFWSA-N 0 3 292.448 3.695 20 30 CHEDHN COc1cc(C)c(CN(C)Cc2ccc(C#N)cc2)cc1C ZINC001203753561 1133365764 /nfs/dbraw/zinc/36/57/64/1133365764.db2.gz CZEWVPHQWKQVJZ-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN COc1cc(C)c(CN(C)Cc2cccc(C#N)c2)cc1C ZINC001203759095 1133367339 /nfs/dbraw/zinc/36/73/39/1133367339.db2.gz VWOJQOLGNBEDLG-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN CCN(Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC001203905226 1133383265 /nfs/dbraw/zinc/38/32/65/1133383265.db2.gz YEUIAEWFUBEHLO-UHFFFAOYSA-N 0 3 268.335 3.719 20 30 CHEDHN CC(C)c1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001204167384 1133413425 /nfs/dbraw/zinc/41/34/25/1133413425.db2.gz MQIIQDWOVWHHPL-INIZCTEOSA-N 0 3 287.428 3.584 20 30 CHEDHN CC(C)c1ccc(CN2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001204167384 1133413428 /nfs/dbraw/zinc/41/34/28/1133413428.db2.gz MQIIQDWOVWHHPL-INIZCTEOSA-N 0 3 287.428 3.584 20 30 CHEDHN CCS[C@@H]1CCCCN(Cc2csc(C#N)c2)C1 ZINC001204230306 1133422507 /nfs/dbraw/zinc/42/25/07/1133422507.db2.gz YNKUBHWVTTYUDO-CYBMUJFWSA-N 0 3 280.462 3.727 20 30 CHEDHN Cc1cccc(CN2CCc3ccc(C#N)cc3C2)c1C ZINC001205067687 1133522417 /nfs/dbraw/zinc/52/24/17/1133522417.db2.gz XUINMXHNPCSOFN-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN C=CCN(Cc1ccc(C(F)(F)F)nc1)C(C)(C)C ZINC001205450077 1133578257 /nfs/dbraw/zinc/57/82/57/1133578257.db2.gz WDZUOLOZXVSHDP-UHFFFAOYSA-N 0 3 272.314 3.887 20 30 CHEDHN C#CCN(Cc1ccccc1)Cc1cccc(CC)c1O ZINC001205741196 1133609419 /nfs/dbraw/zinc/60/94/19/1133609419.db2.gz UZUXFTXAYCEKLH-UHFFFAOYSA-N 0 3 279.383 3.590 20 30 CHEDHN C=CCCCCCCCCN1CC[C@@](N)(C(F)(F)F)C1 ZINC001206221424 1133672588 /nfs/dbraw/zinc/67/25/88/1133672588.db2.gz GMIBCZBDEUDRLN-AWEZNQCLSA-N 0 3 292.389 3.869 20 30 CHEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCC2)C12CCCCC2 ZINC001206517591 1133713052 /nfs/dbraw/zinc/71/30/52/1133713052.db2.gz XDVAGHWKGWTHIC-HZPDHXFCSA-N 0 3 290.451 3.788 20 30 CHEDHN C=CC[C@@H]1CCCN(Cc2ccnn2-c2ccccc2)C1 ZINC001206599002 1133725783 /nfs/dbraw/zinc/72/57/83/1133725783.db2.gz YNPVLCNKQVDIDJ-MRXNPFEDSA-N 0 3 281.403 3.660 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cncc(OC)c1 ZINC001206996469 1133758785 /nfs/dbraw/zinc/75/87/85/1133758785.db2.gz XYYXSCCXJTZYPW-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN C=CC[C@H]1CC[C@H](NCc2nc3ccccc3o2)C1 ZINC001207604277 1133829303 /nfs/dbraw/zinc/82/93/03/1133829303.db2.gz NZCFDPITUPFMSB-STQMWFEESA-N 0 3 256.349 3.662 20 30 CHEDHN C=CCCCCCCCCCN1CCO[C@@]2(CCOC2)C1 ZINC001207899323 1133859593 /nfs/dbraw/zinc/85/95/93/1133859593.db2.gz VEZDSBVEJJKQAN-SFHVURJKSA-N 0 3 295.467 3.785 20 30 CHEDHN C=CCCCN1CCN(c2ccccc2C(F)(F)F)CC1 ZINC001209164251 1133981860 /nfs/dbraw/zinc/98/18/60/1133981860.db2.gz VPLONSMWHGSOGS-UHFFFAOYSA-N 0 3 298.352 3.794 20 30 CHEDHN C=CCCCN1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001209161724 1133982828 /nfs/dbraw/zinc/98/28/28/1133982828.db2.gz CCGTVIATRVKLLQ-KRWDZBQOSA-N 0 3 259.393 3.509 20 30 CHEDHN C=CCCCCCN1CC2(C1)CC(F)(F)CS2 ZINC001209428434 1134016587 /nfs/dbraw/zinc/01/65/87/1134016587.db2.gz GQIIBUBCUFUBRV-UHFFFAOYSA-N 0 3 261.381 3.559 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209721736 1134053811 /nfs/dbraw/zinc/05/38/11/1134053811.db2.gz MOWKQOFQWITKBS-GFCCVEGCSA-N 0 3 272.779 3.667 20 30 CHEDHN Cc1ccc(Nc2ccc3c(c2)CN(C)CC3)c(C#N)c1 ZINC001210569041 1134250495 /nfs/dbraw/zinc/25/04/95/1134250495.db2.gz YTEFJTULNALGJR-UHFFFAOYSA-N 0 3 277.371 3.598 20 30 CHEDHN CC(C)(C)c1cc(Nc2ccccc2C#N)ccn1 ZINC001210737529 1134286553 /nfs/dbraw/zinc/28/65/53/1134286553.db2.gz IYRYQAXXTWTEMO-UHFFFAOYSA-N 0 3 251.333 3.994 20 30 CHEDHN CC(C)(C)c1cc(-n2cc(C#N)c3cc(N)ccc32)ccn1 ZINC001213168375 1134434031 /nfs/dbraw/zinc/43/40/31/1134434031.db2.gz GOPOKQRSMFJBKU-UHFFFAOYSA-N 0 3 290.370 3.777 20 30 CHEDHN CC(C)(C)c1cc(Nc2ccc(N)cc2C#N)ccn1 ZINC001213168948 1134434567 /nfs/dbraw/zinc/43/45/67/1134434567.db2.gz YCBMNJPZOQNYNR-UHFFFAOYSA-N 0 3 266.348 3.577 20 30 CHEDHN COc1ccc(Nc2ccnc(C3CCC3)c2)cc1C#N ZINC001214998797 1134592439 /nfs/dbraw/zinc/59/24/39/1134592439.db2.gz HRLMKPZTJAVFEC-UHFFFAOYSA-N 0 3 279.343 3.973 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2cc(C)[nH]c2c1 ZINC001219375604 1135131641 /nfs/dbraw/zinc/13/16/41/1135131641.db2.gz UJVQHDIXDWBRQW-INIZCTEOSA-N 0 3 299.418 3.879 20 30 CHEDHN CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccncc1 ZINC000353271456 529660836 /nfs/dbraw/zinc/66/08/36/529660836.db2.gz YMWDHWPMXRBPOO-ZWKOTPCHSA-N 0 3 277.371 3.681 20 30 CHEDHN CCC1(CC)CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000574750244 335044339 /nfs/dbraw/zinc/04/43/39/335044339.db2.gz LMJZOHHSPFNINU-CQSZACIVSA-N 0 3 261.413 3.769 20 30 CHEDHN CC(C)(C)[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000525785698 262235743 /nfs/dbraw/zinc/23/57/43/262235743.db2.gz HRUXUVPREWLELR-HNNXBMFYSA-N 0 3 260.356 3.708 20 30 CHEDHN CCc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000035256346 172086139 /nfs/dbraw/zinc/08/61/39/172086139.db2.gz RDKUKVPFPBJPLP-CQSZACIVSA-N 0 3 264.372 3.971 20 30 CHEDHN N#Cc1cccc(CNCc2cccc(Cl)c2)c1 ZINC000037488745 173230579 /nfs/dbraw/zinc/23/05/79/173230579.db2.gz XCXDCNPZZSYZIJ-UHFFFAOYSA-N 0 3 256.736 3.501 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000042267794 174670309 /nfs/dbraw/zinc/67/03/09/174670309.db2.gz HVZRVVZGHLOMRL-UHFFFAOYSA-N 0 3 270.763 3.844 20 30 CHEDHN CC(C#N)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000335002089 225392361 /nfs/dbraw/zinc/39/23/61/225392361.db2.gz HMORJVCDOFBHGV-IUCAKERBSA-N 0 3 297.185 3.599 20 30 CHEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000334831877 225325391 /nfs/dbraw/zinc/32/53/91/225325391.db2.gz IGKHVWVHAWQOCS-CXAGYDPISA-N 0 3 278.355 3.663 20 30 CHEDHN CC(C#N)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000336282617 226861675 /nfs/dbraw/zinc/86/16/75/226861675.db2.gz DLPDXPBKFRDXMN-MRVPVSSYSA-N 0 3 285.174 3.504 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc3cccnc31)CC2 ZINC000353386211 228094155 /nfs/dbraw/zinc/09/41/55/228094155.db2.gz NEYGZJWVQFQNRO-LJQANCHMSA-N 0 3 299.377 3.884 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccoc1 ZINC000336084030 228185979 /nfs/dbraw/zinc/18/59/79/228185979.db2.gz UAVAPIXBSZVIFS-KRWDZBQOSA-N 0 3 266.344 3.709 20 30 CHEDHN CC(C#N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000336130725 228193370 /nfs/dbraw/zinc/19/33/70/228193370.db2.gz XDKXYVRKNMCARD-DTWKUNHWSA-N 0 3 297.185 3.599 20 30 CHEDHN CC(C)(CCC#N)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000179625248 260059376 /nfs/dbraw/zinc/05/93/76/260059376.db2.gz YAQOPYIXRXVFID-LLVKDONJSA-N 0 3 262.319 3.591 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000404186569 260066562 /nfs/dbraw/zinc/06/65/62/260066562.db2.gz FAOZRIMFPVPTSL-HNNXBMFYSA-N 0 3 260.356 3.852 20 30 CHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C#N)cc1 ZINC000037284504 260079307 /nfs/dbraw/zinc/07/93/07/260079307.db2.gz IHFGCHCUKCDRQJ-ZIAGYGMSSA-N 0 3 275.355 3.842 20 30 CHEDHN C=CCN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000309499877 260171384 /nfs/dbraw/zinc/17/13/84/260171384.db2.gz LGQIRQKTXSBWPZ-CYBMUJFWSA-N 0 3 284.172 3.815 20 30 CHEDHN CCN(Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000087833128 260219555 /nfs/dbraw/zinc/21/95/55/260219555.db2.gz TZWNNXJQXKBYES-UHFFFAOYSA-N 0 3 280.371 3.589 20 30 CHEDHN CCN(CCCCC#N)Cc1ccc(Cl)s1 ZINC000057599239 260225448 /nfs/dbraw/zinc/22/54/48/260225448.db2.gz MDNGQMIYFSOOBG-UHFFFAOYSA-N 0 3 256.802 3.917 20 30 CHEDHN C=C[C@@H](C)NCc1ccc(Br)c(Cl)c1 ZINC000235208712 260245262 /nfs/dbraw/zinc/24/52/62/260245262.db2.gz SRHPLAJGWWOTRA-MRVPVSSYSA-N 0 3 274.589 3.767 20 30 CHEDHN C=CCOc1ccc(CNCc2sc(C)nc2C)cc1 ZINC000313159428 260254738 /nfs/dbraw/zinc/25/47/38/260254738.db2.gz HNHHTSMDEJRLAI-UHFFFAOYSA-N 0 3 288.416 3.615 20 30 CHEDHN C=CCC(C)(C)CNCc1cn2cc(Cl)ccc2n1 ZINC000311882243 260259379 /nfs/dbraw/zinc/25/93/79/260259379.db2.gz NHQDJAGXWJELQY-UHFFFAOYSA-N 0 3 277.799 3.680 20 30 CHEDHN C=CCCN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000152689089 260661622 /nfs/dbraw/zinc/66/16/22/260661622.db2.gz CTSFSIAFTSFBGD-GFCCVEGCSA-N 0 3 250.411 3.591 20 30 CHEDHN C=CCOc1cccc(CNCc2cnc(C)cc2C)c1 ZINC000449733316 260827138 /nfs/dbraw/zinc/82/71/38/260827138.db2.gz HIGHNPROSSVSQZ-UHFFFAOYSA-N 0 3 282.387 3.553 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1nc2cc(Cl)ccc2n1C ZINC000427841694 260854772 /nfs/dbraw/zinc/85/47/72/260854772.db2.gz ITOYRXYXNNNZAU-NWDGAFQWSA-N 0 3 291.826 3.917 20 30 CHEDHN Cc1cc(CNC[C@@H](C)Oc2ccc(F)cc2)ccc1C#N ZINC000444004973 260945441 /nfs/dbraw/zinc/94/54/41/260945441.db2.gz UFZSPNMDIBWGFR-CQSZACIVSA-N 0 3 298.361 3.563 20 30 CHEDHN COc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000154334094 261090739 /nfs/dbraw/zinc/09/07/39/261090739.db2.gz GMOFOIBXYXWJOQ-SCLBCKFNSA-N 0 3 292.382 3.905 20 30 CHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@H](C3CC3)C2)cc1 ZINC000491279445 261398921 /nfs/dbraw/zinc/39/89/21/261398921.db2.gz RGCZGECBIULXCU-OAHLLOKOSA-N 0 3 293.332 3.789 20 30 CHEDHN Cc1ccsc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000180557727 261866458 /nfs/dbraw/zinc/86/64/58/261866458.db2.gz QCJURSCDXVQJGE-CYBMUJFWSA-N 0 3 286.400 3.810 20 30 CHEDHN N#CCCCNCc1ccccc1OCc1ccccc1 ZINC000309852347 262036049 /nfs/dbraw/zinc/03/60/49/262036049.db2.gz BDTSMTBITWXENC-UHFFFAOYSA-N 0 3 280.371 3.659 20 30 CHEDHN C[C@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)o1 ZINC000185085604 262040172 /nfs/dbraw/zinc/04/01/72/262040172.db2.gz LHVNIZDOLVDOAW-SCLBCKFNSA-N 0 3 280.371 3.955 20 30 CHEDHN CCCOCc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185785144 262070426 /nfs/dbraw/zinc/07/04/26/262070426.db2.gz GWDPPMKCGFFQDD-CRAIPNDOSA-N 0 3 286.419 3.785 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OC3CCCC3)nc2)C1 ZINC000185784572 262070689 /nfs/dbraw/zinc/07/06/89/262070689.db2.gz FXMSMHDFINUJOB-HOCLYGCPSA-N 0 3 299.418 3.575 20 30 CHEDHN CCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185783715 262070768 /nfs/dbraw/zinc/07/07/68/262070768.db2.gz NWJVLDIKEJPENJ-JKSUJKDBSA-N 0 3 272.392 3.647 20 30 CHEDHN CC#CCCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000364047726 262121033 /nfs/dbraw/zinc/12/10/33/262121033.db2.gz SXDXRVGTIIRPGA-ZDUSSCGKSA-N 0 3 286.350 3.560 20 30 CHEDHN CCCc1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000187214194 262128693 /nfs/dbraw/zinc/12/86/93/262128693.db2.gz DIEWDFKXCGKIAJ-UHFFFAOYSA-N 0 3 294.398 3.831 20 30 CHEDHN CC(C)(C#N)CCN1CCC(OCc2ccccc2)CC1 ZINC000119599639 262168449 /nfs/dbraw/zinc/16/84/49/262168449.db2.gz QPFLXAHLSBRGCH-UHFFFAOYSA-N 0 3 286.419 3.607 20 30 CHEDHN C=CC[C@H](CC)NCc1ccc(OC)c(OC)c1Cl ZINC000393811556 262195813 /nfs/dbraw/zinc/19/58/13/262195813.db2.gz WKZVUMIPEXMGMQ-LBPRGKRZSA-N 0 3 283.799 3.802 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2sccc2Br)C1 ZINC000192977968 262213539 /nfs/dbraw/zinc/21/35/39/262213539.db2.gz GVHYKWOJUUYZDC-ZJUUUORDSA-N 0 3 299.237 3.683 20 30 CHEDHN Cc1oc2ccccc2c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000193296736 262219921 /nfs/dbraw/zinc/21/99/21/262219921.db2.gz BCBLOIPNZSWADB-ZIAGYGMSSA-N 0 3 268.360 3.913 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2cc(Br)cs2)C1 ZINC000185783885 262308608 /nfs/dbraw/zinc/30/86/08/262308608.db2.gz JZHIOKGYHIYQKK-GXSJLCMTSA-N 0 3 299.237 3.683 20 30 CHEDHN C=CCCCNCc1nc2ccccc2n1CCC ZINC000311746671 262340437 /nfs/dbraw/zinc/34/04/37/262340437.db2.gz RVQSDQZZNBUHJR-UHFFFAOYSA-N 0 3 257.381 3.502 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(F)cc1Cl ZINC000435741896 262748356 /nfs/dbraw/zinc/74/83/56/262748356.db2.gz RJMUSOMGLCRMOU-WFASDCNBSA-N 0 3 283.774 3.550 20 30 CHEDHN C[C@H](NC1(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000271952759 263000551 /nfs/dbraw/zinc/00/05/51/263000551.db2.gz DYVWGTXBJIFVKG-HNNXBMFYSA-N 0 3 292.382 3.929 20 30 CHEDHN COc1ccc([C@@H](NCCC(C)(C)C#N)C2CC2)cc1 ZINC000271992947 263000952 /nfs/dbraw/zinc/00/09/52/263000952.db2.gz FGPMSQYMIYQPCP-INIZCTEOSA-N 0 3 272.392 3.676 20 30 CHEDHN COc1ccc2ccccc2c1CN1CCC(C)(C#N)CC1 ZINC000272561296 263006734 /nfs/dbraw/zinc/00/67/34/263006734.db2.gz TZZXWXPUKLHAGS-UHFFFAOYSA-N 0 3 294.398 3.974 20 30 CHEDHN C[C@@H](NCCCC#N)c1cccc(-c2ccncc2)c1 ZINC000273268773 263014571 /nfs/dbraw/zinc/01/45/71/263014571.db2.gz OFXZTCFKYIPOLK-CQSZACIVSA-N 0 3 265.360 3.703 20 30 CHEDHN Cc1nc2ccccc2c(N2CCC(C#N)CC2)c1C ZINC000273327895 263015627 /nfs/dbraw/zinc/01/56/27/263015627.db2.gz LMAPITSNDDBTEF-UHFFFAOYSA-N 0 3 265.360 3.592 20 30 CHEDHN CC(C)Oc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274217515 263022106 /nfs/dbraw/zinc/02/21/06/263022106.db2.gz PDHFOMIBESTXQX-CVEARBPZSA-N 0 3 272.392 3.646 20 30 CHEDHN C[C@H](c1cccnc1)N(C)CCCCC(C)(C)C#N ZINC000277592434 263042052 /nfs/dbraw/zinc/04/20/52/263042052.db2.gz DJEJMGDARPOJQW-CQSZACIVSA-N 0 3 259.397 3.794 20 30 CHEDHN C[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1[O-] ZINC000277664377 263042997 /nfs/dbraw/zinc/04/29/97/263042997.db2.gz JGRSEFUOPAVYKS-UHFFFAOYSA-N 0 3 260.381 3.544 20 30 CHEDHN C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1[O-] ZINC000277664377 263042998 /nfs/dbraw/zinc/04/29/98/263042998.db2.gz JGRSEFUOPAVYKS-UHFFFAOYSA-N 0 3 260.381 3.544 20 30 CHEDHN CN(Cc1ccc(Br)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278746288 263050442 /nfs/dbraw/zinc/05/04/42/263050442.db2.gz WTNOYPLTEWAVBF-TZMCWYRMSA-N 0 3 293.208 3.573 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000213529196 263059834 /nfs/dbraw/zinc/05/98/34/263059834.db2.gz LZSKJALAQKYRPB-INIZCTEOSA-N 0 3 272.392 3.721 20 30 CHEDHN CCC[C@@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000213529139 263059904 /nfs/dbraw/zinc/05/99/04/263059904.db2.gz LZSKJALAQKYRPB-MRXNPFEDSA-N 0 3 272.392 3.721 20 30 CHEDHN CSc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1 ZINC000281273310 263067892 /nfs/dbraw/zinc/06/78/92/263067892.db2.gz FXZGDYIWSZGZJA-GFCCVEGCSA-N 0 3 262.422 3.999 20 30 CHEDHN CCOc1ccccc1[C@H](CC)N[C@@H]1CC[C@H](C#N)C1 ZINC000281997183 263073496 /nfs/dbraw/zinc/07/34/96/263073496.db2.gz PZNQNWMZHFADHR-LZWOXQAQSA-N 0 3 272.392 3.818 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(N2CCCC2)c1 ZINC000282161471 263074643 /nfs/dbraw/zinc/07/46/43/263074643.db2.gz DJTBTPGMFXROLL-ZOBUZTSGSA-N 0 3 283.419 3.630 20 30 CHEDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2CCC(C#N)CC2)c1 ZINC000282135862 263074764 /nfs/dbraw/zinc/07/47/64/263074764.db2.gz BQGROFNYXYDUPG-NFOMZHRRSA-N 0 3 272.392 3.681 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)s1 ZINC000083853957 263081158 /nfs/dbraw/zinc/08/11/58/263081158.db2.gz MXUIWIMTALVYBI-SECBINFHSA-N 0 3 254.786 3.746 20 30 CHEDHN C=CCC[C@@H](CC)N[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000366673817 263115064 /nfs/dbraw/zinc/11/50/64/263115064.db2.gz FDNFPDWMCGNBOQ-QZTJIDSGSA-N 0 3 283.419 3.844 20 30 CHEDHN CSC1(CNCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000290431754 263116536 /nfs/dbraw/zinc/11/65/36/263116536.db2.gz RQSQCINXGBMPDG-UHFFFAOYSA-N 0 3 299.361 3.542 20 30 CHEDHN N#CCCCN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000292461824 263132475 /nfs/dbraw/zinc/13/24/75/263132475.db2.gz QLQNGQOQGNSYDT-AWEZNQCLSA-N 0 3 280.824 3.810 20 30 CHEDHN CN(Cc1cccc(Br)c1)[C@H]1CC[C@H](C#N)C1 ZINC000293374681 263139589 /nfs/dbraw/zinc/13/95/89/263139589.db2.gz FXZYBORXHNSNDF-FZMZJTMJSA-N 0 3 293.208 3.573 20 30 CHEDHN C[C@@H](Cc1ccc(O)cc1)N[C@@H](CCC#N)c1ccccc1 ZINC000293660714 263146554 /nfs/dbraw/zinc/14/65/54/263146554.db2.gz PNQWQRLJAUQYDZ-KXBFYZLASA-N 0 3 294.398 3.958 20 30 CHEDHN Cc1cccc(C2=CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000293681961 263146846 /nfs/dbraw/zinc/14/68/46/263146846.db2.gz BBMRVZQDXBYWSG-MAUKXSAKSA-N 0 3 266.388 3.776 20 30 CHEDHN C=C(CNCc1cccc(OCCOC)c1)c1ccccc1 ZINC000340437178 263147304 /nfs/dbraw/zinc/14/73/04/263147304.db2.gz OQTIKQHFYLFRPP-UHFFFAOYSA-N 0 3 297.398 3.515 20 30 CHEDHN CC(C)Oc1cccc(CN(C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000293728808 263148268 /nfs/dbraw/zinc/14/82/68/263148268.db2.gz GKYOONTUSCVQES-GOEBONIOSA-N 0 3 272.392 3.598 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OC(F)F)c(F)c2)C1 ZINC000293840198 263150431 /nfs/dbraw/zinc/15/04/31/263150431.db2.gz XSCYEEXSAVRALX-CMPLNLGQSA-N 0 3 298.308 3.599 20 30 CHEDHN CCCOc1ccc2c(c1)CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000293904185 263152009 /nfs/dbraw/zinc/15/20/09/263152009.db2.gz WHJMNKHFYZSVHL-PBHICJAKSA-N 0 3 284.403 3.526 20 30 CHEDHN Cc1nn(C)cc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340450562 263155099 /nfs/dbraw/zinc/15/50/99/263155099.db2.gz NIXGNQPHIMGUNW-RDTXWAMCSA-N 0 3 296.418 3.814 20 30 CHEDHN CC(C)c1cccc2c1CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000294672310 263165585 /nfs/dbraw/zinc/16/55/85/263165585.db2.gz RWPUDVAQOPULRE-GDBMZVCRSA-N 0 3 268.404 3.860 20 30 CHEDHN C[C@@H]1C[C@H]1[C@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000294768381 263167378 /nfs/dbraw/zinc/16/73/78/263167378.db2.gz YYNWTQAKNOWCRS-DAXOMENPSA-N 0 3 292.810 3.557 20 30 CHEDHN C[C@H]1C[C@@H]1c1ccc(CN[C@H]2CC[C@@H](CC#N)C2)o1 ZINC000295075809 263172020 /nfs/dbraw/zinc/17/20/20/263172020.db2.gz PRPGLSBKYCAKDV-ABHRYQDASA-N 0 3 258.365 3.575 20 30 CHEDHN CN(CCS[C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000295126341 263172614 /nfs/dbraw/zinc/17/26/14/263172614.db2.gz BRGPFSGYGKMAJM-HZPDHXFCSA-N 0 3 274.433 3.544 20 30 CHEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccsc1 ZINC000296672049 263195136 /nfs/dbraw/zinc/19/51/36/263195136.db2.gz FXMJBMYMCBHNBY-MRXNPFEDSA-N 0 3 286.400 3.891 20 30 CHEDHN CC(C)[C@@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000298074448 263214727 /nfs/dbraw/zinc/21/47/27/263214727.db2.gz AWFOFBYQBREMBV-CQSZACIVSA-N 0 3 250.773 3.930 20 30 CHEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000298869941 263227365 /nfs/dbraw/zinc/22/73/65/263227365.db2.gz JMESKZBZKOUIIK-QWHCGFSZSA-N 0 3 290.382 3.957 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000121161961 263290974 /nfs/dbraw/zinc/29/09/74/263290974.db2.gz PPLFTTUCODQTSH-HNNXBMFYSA-N 0 3 274.408 3.528 20 30 CHEDHN C=CCC[C@@H](O)CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000341571949 263341931 /nfs/dbraw/zinc/34/19/31/263341931.db2.gz IQCBUIARECZIFX-KGLIPLIRSA-N 0 3 287.325 3.597 20 30 CHEDHN N#CCCCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000341593220 263343957 /nfs/dbraw/zinc/34/39/57/263343957.db2.gz ZHLHOKUILDCDPZ-CYBMUJFWSA-N 0 3 270.298 3.964 20 30 CHEDHN C=CCC[C@@H](NCc1cc(C)nn1C)c1ccccc1 ZINC000342808245 263522034 /nfs/dbraw/zinc/52/20/34/263522034.db2.gz AMFNDHGTRNNUHP-QGZVFWFLSA-N 0 3 269.392 3.526 20 30 CHEDHN CC(C)c1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000189584152 264310222 /nfs/dbraw/zinc/31/02/22/264310222.db2.gz JOHRXXOYOCTKJL-AWEZNQCLSA-N 0 3 281.403 3.871 20 30 CHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)CCCC2 ZINC000189584823 264311037 /nfs/dbraw/zinc/31/10/37/264311037.db2.gz YFLDDGJASQGABR-CQSZACIVSA-N 0 3 293.414 3.626 20 30 CHEDHN C=C(C)[C@@H](NC[C@@H](OC)C1CC1)c1ccc(F)c(F)c1 ZINC000425436081 264319366 /nfs/dbraw/zinc/31/93/66/264319366.db2.gz VCBGRMRATQXCOB-HZPDHXFCSA-N 0 3 281.346 3.597 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000076735293 264342918 /nfs/dbraw/zinc/34/29/18/264342918.db2.gz KBLYQPXIYZXBGC-GFCCVEGCSA-N 0 3 280.799 3.565 20 30 CHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CC)c2ccncc2)cc1 ZINC000163680563 264361098 /nfs/dbraw/zinc/36/10/98/264361098.db2.gz RVOARVSFMUEFKB-BEFAXECRSA-N 0 3 294.398 3.896 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000180947520 264430750 /nfs/dbraw/zinc/43/07/50/264430750.db2.gz IXACQYVXUOZLRP-QWRGUYRKSA-N 0 3 250.411 3.637 20 30 CHEDHN C=CCC[C@@H](NCC1(SC)CCOCC1)c1ccco1 ZINC000286218197 264570655 /nfs/dbraw/zinc/57/06/55/264570655.db2.gz SERRJZNMADGJCD-CQSZACIVSA-N 0 3 295.448 3.789 20 30 CHEDHN CC[C@@H](NCc1cc(C#N)cs1)c1cccs1 ZINC000093492503 265183655 /nfs/dbraw/zinc/18/36/55/265183655.db2.gz JXLBJYAHADHDIE-GFCCVEGCSA-N 0 3 262.403 3.922 20 30 CHEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000095966183 265321783 /nfs/dbraw/zinc/32/17/83/265321783.db2.gz QQUPXDHOEASVOR-SWLSCSKDSA-N 0 3 267.800 3.660 20 30 CHEDHN C=CCSCCN[C@@H](CC)c1ccc(F)cc1F ZINC000358020134 266398422 /nfs/dbraw/zinc/39/84/22/266398422.db2.gz LSMLUEQQOWREBA-AWEZNQCLSA-N 0 3 271.376 3.925 20 30 CHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(C2CC2)cc1 ZINC000418114009 267078865 /nfs/dbraw/zinc/07/88/65/267078865.db2.gz KNHGRVONCBTTJO-CYBMUJFWSA-N 0 3 279.387 3.625 20 30 CHEDHN Cc1nc2c(s1)[C@H](N[C@@H]1CCC[C@H](C#N)C1)CCC2 ZINC000368631636 267192972 /nfs/dbraw/zinc/19/29/72/267192972.db2.gz JYEONBGPRSDGEQ-OUCADQQQSA-N 0 3 275.421 3.501 20 30 CHEDHN N#CC1(CN[C@H]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000418141549 267363959 /nfs/dbraw/zinc/36/39/59/267363959.db2.gz LEUHJZMPGROWLA-HOTGVXAUSA-N 0 3 254.377 3.606 20 30 CHEDHN COc1ccsc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418151382 267376260 /nfs/dbraw/zinc/37/62/60/267376260.db2.gz XCCNBMQEGSZDIE-OAHLLOKOSA-N 0 3 298.411 3.796 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000377075868 268045215 /nfs/dbraw/zinc/04/52/15/268045215.db2.gz DBQBFWIBAORNJK-HNAYVOBHSA-N 0 3 291.398 3.921 20 30 CHEDHN C[C@H]1CCCC[C@@H]1OCCN1CCC(CCC#N)CC1 ZINC000563069160 327873968 /nfs/dbraw/zinc/87/39/68/327873968.db2.gz UMGSQZKYBLOODS-RDJZCZTQSA-N 0 3 278.440 3.597 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(Cl)cc1 ZINC000125623842 327900593 /nfs/dbraw/zinc/90/05/93/327900593.db2.gz JAZVJFNIJBCFAV-LBPRGKRZSA-N 0 3 253.773 3.583 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000320335420 328004174 /nfs/dbraw/zinc/00/41/74/328004174.db2.gz BVVUNUNAZLILAM-TZMCWYRMSA-N 0 3 297.851 3.794 20 30 CHEDHN CN(CCc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000160982619 328113385 /nfs/dbraw/zinc/11/33/85/328113385.db2.gz KQWAJDGKSYCBPM-UHFFFAOYSA-N 0 3 286.325 3.511 20 30 CHEDHN CC(C)(C#N)CCCCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289858130 328256335 /nfs/dbraw/zinc/25/63/35/328256335.db2.gz LCPGUPSAFQWSOQ-AWEZNQCLSA-N 0 3 294.830 3.503 20 30 CHEDHN C=CCC(C)(C)CN[C@H](c1ccccc1)c1cncnc1 ZINC000340425932 328275682 /nfs/dbraw/zinc/27/56/82/328275682.db2.gz AZVCKGZAWDUCNV-QGZVFWFLSA-N 0 3 281.403 3.758 20 30 CHEDHN CC[C@H](C)CN(C)c1ccc(F)cc1CNCCCC#N ZINC000344308160 328557421 /nfs/dbraw/zinc/55/74/21/328557421.db2.gz SPIAENSLRUJRLZ-AWEZNQCLSA-N 0 3 291.414 3.701 20 30 CHEDHN C=C(C)CCNCc1cccc(Br)c1OC ZINC000449475583 330928821 /nfs/dbraw/zinc/92/88/21/330928821.db2.gz LPYUFOBACYEBSX-UHFFFAOYSA-N 0 3 284.197 3.514 20 30 CHEDHN C=CCOc1ccc(CN[C@H](C)CC(F)(F)F)cc1 ZINC000231751153 327010560 /nfs/dbraw/zinc/01/05/60/327010560.db2.gz DANPPGQYGOLZRF-LLVKDONJSA-N 0 3 273.298 3.682 20 30 CHEDHN N#CCC[C@H](C#N)CNCC1(c2ccccc2)CCCC1 ZINC000557576671 327013875 /nfs/dbraw/zinc/01/38/75/327013875.db2.gz MYPPZSKKUNQNKO-MRXNPFEDSA-N 0 3 281.403 3.532 20 30 CHEDHN N#CCC[C@@H](C#N)CNCC1(c2ccccc2)CCCC1 ZINC000557576669 327013932 /nfs/dbraw/zinc/01/39/32/327013932.db2.gz MYPPZSKKUNQNKO-INIZCTEOSA-N 0 3 281.403 3.532 20 30 CHEDHN C=CC[C@@H](C)N[C@H](COC)c1cccc(Cl)c1F ZINC000558260079 327083901 /nfs/dbraw/zinc/08/39/01/327083901.db2.gz XGDXXLFELVELFM-ZWNOBZJWSA-N 0 3 271.763 3.721 20 30 CHEDHN C=CCOCCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000559049105 327139327 /nfs/dbraw/zinc/13/93/27/327139327.db2.gz FRDDCQFVAWAYFD-ZDUSSCGKSA-N 0 3 297.801 3.689 20 30 CHEDHN C=CCOCCN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000559223751 327148305 /nfs/dbraw/zinc/14/83/05/327148305.db2.gz PTOIVKWOTGTYHO-UHFFFAOYSA-N 0 3 297.801 3.803 20 30 CHEDHN COc1ccc([C@H](C)NCC2(CC#N)CC2)cc1Cl ZINC000569418932 327174195 /nfs/dbraw/zinc/17/41/95/327174195.db2.gz SAZKHOHYVXIUSL-NSHDSACASA-N 0 3 278.783 3.693 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3ccccc3F)CC2)C1 ZINC000518571969 327177094 /nfs/dbraw/zinc/17/70/94/327177094.db2.gz RIQWLDACCJCCHT-UKRRQHHQSA-N 0 3 272.367 3.697 20 30 CHEDHN CCN(CCCCC#N)Cc1ccccc1Cl ZINC000102397312 327226778 /nfs/dbraw/zinc/22/67/78/327226778.db2.gz VEBVRKYDNQJJFT-UHFFFAOYSA-N 0 3 250.773 3.856 20 30 CHEDHN C=CCCCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000560186403 327288956 /nfs/dbraw/zinc/28/89/56/327288956.db2.gz MCQRTWFGJWVTFB-FMIVXFBMSA-N 0 3 284.447 3.674 20 30 CHEDHN C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1 ZINC000507246379 332800130 /nfs/dbraw/zinc/80/01/30/332800130.db2.gz IPTOMYUQVWTNQX-CHWSQXEVSA-N 0 3 290.370 3.846 20 30 CHEDHN C=CC[C@@H](CC)NCc1cc(O)ccc1Br ZINC000381338291 327481948 /nfs/dbraw/zinc/48/19/48/327481948.db2.gz WNZJFLDXQMSGQW-LLVKDONJSA-N 0 3 284.197 3.599 20 30 CHEDHN C=CCC[C@H](O)CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000535757941 328627004 /nfs/dbraw/zinc/62/70/04/328627004.db2.gz UIANYXPKEDJDIS-SFHVURJKSA-N 0 3 289.394 3.632 20 30 CHEDHN C=CCCCNCc1cc(F)ccc1Br ZINC000070591775 328685181 /nfs/dbraw/zinc/68/51/81/328685181.db2.gz SSLSVKRUYLLMBA-UHFFFAOYSA-N 0 3 272.161 3.644 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000358321890 328882236 /nfs/dbraw/zinc/88/22/36/328882236.db2.gz SIGMCTBFOKRLHB-MNOVXSKESA-N 0 3 251.395 3.642 20 30 CHEDHN C=CCNC1(c2cccc(Br)c2)CCC1 ZINC000389738775 328951078 /nfs/dbraw/zinc/95/10/78/328951078.db2.gz VDIUQXSNWKQTTA-UHFFFAOYSA-N 0 3 266.182 3.604 20 30 CHEDHN C[C@H](CCC#N)SCCN(C)Cc1ccccc1 ZINC000193632724 329060337 /nfs/dbraw/zinc/06/03/37/329060337.db2.gz NPFGEQFARPAFKS-CQSZACIVSA-N 0 3 262.422 3.544 20 30 CHEDHN C=CC1CCN(Cc2conc2Cc2ccccc2)CC1 ZINC000508520479 332840565 /nfs/dbraw/zinc/84/05/65/332840565.db2.gz OZAAECDZTLQBIP-UHFFFAOYSA-N 0 3 282.387 3.663 20 30 CHEDHN CCC[C@H](C)[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1Cl ZINC000582551084 329106346 /nfs/dbraw/zinc/10/63/46/329106346.db2.gz LTWFLKCJLCPOOI-HWWQOWPSSA-N 0 3 294.826 3.659 20 30 CHEDHN C=CCOc1ccccc1CNC[C@H]1COc2ccccc21 ZINC000582749221 329142628 /nfs/dbraw/zinc/14/26/28/329142628.db2.gz RIGJPHTVCDVEEF-INIZCTEOSA-N 0 3 295.382 3.517 20 30 CHEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000177087983 329180388 /nfs/dbraw/zinc/18/03/88/329180388.db2.gz FPENNLHDWVIJJY-UHFFFAOYSA-N 0 3 269.310 3.787 20 30 CHEDHN C=CCN1CCC(N[C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000177907042 329189919 /nfs/dbraw/zinc/18/99/19/329189919.db2.gz MYNRFXDWOMQLCU-LBPRGKRZSA-N 0 3 296.817 3.780 20 30 CHEDHN C=CCCOCCN[C@@H](CC)c1cccc(Cl)c1 ZINC000222443193 329223930 /nfs/dbraw/zinc/22/39/30/329223930.db2.gz RYGLXVGBTOPBNU-HNNXBMFYSA-N 0 3 267.800 3.973 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCC(C)(C)O1 ZINC000184653245 329261901 /nfs/dbraw/zinc/26/19/01/329261901.db2.gz TYTVNEPDRHDWGK-QGZVFWFLSA-N 0 3 286.419 3.726 20 30 CHEDHN CC(C)n1cc([C@H](C)NCCC2(C#N)CCCCC2)cn1 ZINC000582891372 329281758 /nfs/dbraw/zinc/28/17/58/329281758.db2.gz LNQAOYMXXDPVQN-HNNXBMFYSA-N 0 3 288.439 3.979 20 30 CHEDHN C=CCC[C@@H](NC[C@H](O)CCc1ccccc1)c1ccco1 ZINC000583016253 329302857 /nfs/dbraw/zinc/30/28/57/329302857.db2.gz PQEOVDDORSFFQI-QZTJIDSGSA-N 0 3 299.414 3.870 20 30 CHEDHN C=C(C)CCN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000509023231 332856057 /nfs/dbraw/zinc/85/60/57/332856057.db2.gz PLECHJBXFRUBAK-QGZVFWFLSA-N 0 3 270.351 3.866 20 30 CHEDHN CC#CCCNCc1ccc(OCc2ccccc2)cc1 ZINC000158301564 329617339 /nfs/dbraw/zinc/61/73/39/329617339.db2.gz MUKHBGGAZAXZQC-UHFFFAOYSA-N 0 3 279.383 3.769 20 30 CHEDHN Cc1ccc([C@@H](C)NCc2ccc(C#N)s2)s1 ZINC000135686332 329668482 /nfs/dbraw/zinc/66/84/82/329668482.db2.gz BVXWDCWYWMFDHL-SNVBAGLBSA-N 0 3 262.403 3.841 20 30 CHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000195252152 329692459 /nfs/dbraw/zinc/69/24/59/329692459.db2.gz NMDQNIAGWAAIFS-RTBURBONSA-N 0 3 292.382 3.568 20 30 CHEDHN CC(C)(CNCc1ccc(C#N)c(F)c1)Oc1ccccc1 ZINC000421373137 329815897 /nfs/dbraw/zinc/81/58/97/329815897.db2.gz ZIIURKGRJIDETQ-UHFFFAOYSA-N 0 3 298.361 3.645 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCc3sccc32)C1 ZINC000248830493 329900172 /nfs/dbraw/zinc/90/01/72/329900172.db2.gz HIZNBTUJCKCVQQ-DYEKYZERSA-N 0 3 260.406 3.797 20 30 CHEDHN COc1cc(CN(C)[C@H]2CC[C@H](C#N)C2)ccc1SC ZINC000429684290 330057934 /nfs/dbraw/zinc/05/79/34/330057934.db2.gz JYOGMMOXXJIYKW-JSGCOSHPSA-N 0 3 290.432 3.541 20 30 CHEDHN C=CCC[C@@H](NCc1csc([C@@H](C)OC)n1)C1CC1 ZINC000269681666 330070275 /nfs/dbraw/zinc/07/02/75/330070275.db2.gz IGDJEDPORFMWNQ-BXUZGUMPSA-N 0 3 280.437 3.685 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)NCc1nnc(C(C)(C)C)s1 ZINC000271563659 330081371 /nfs/dbraw/zinc/08/13/71/330081371.db2.gz YAQXHDIBBDNFRC-GHMZBOCLSA-N 0 3 267.442 3.526 20 30 CHEDHN COc1cc(Cl)ccc1[C@H](C)NCC1(CC#N)CC1 ZINC000421852500 330088119 /nfs/dbraw/zinc/08/81/19/330088119.db2.gz IJZAUFHSUHJBMC-NSHDSACASA-N 0 3 278.783 3.693 20 30 CHEDHN C=C(C)CCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000274770196 330107712 /nfs/dbraw/zinc/10/77/12/330107712.db2.gz HEKVJBNZYQLZAY-MRXNPFEDSA-N 0 3 269.392 3.676 20 30 CHEDHN C=C(C)[C@H](NCCCCCCO)c1ccc(F)c(F)c1 ZINC000274860156 330108006 /nfs/dbraw/zinc/10/80/06/330108006.db2.gz HVKSMCXAPYPLGU-INIZCTEOSA-N 0 3 283.362 3.724 20 30 CHEDHN C=CCC1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CCC1 ZINC000276873676 330114710 /nfs/dbraw/zinc/11/47/10/330114710.db2.gz RKZZOODCTNCXNV-UHFFFAOYSA-N 0 3 286.419 3.742 20 30 CHEDHN CC(C)Oc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000171031624 330127904 /nfs/dbraw/zinc/12/79/04/330127904.db2.gz LPSMRQDFFFRGIJ-UHFFFAOYSA-N 0 3 294.398 3.977 20 30 CHEDHN CC(C)OC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000527190492 330232473 /nfs/dbraw/zinc/23/24/73/330232473.db2.gz ADAHJJCLFOBQGO-AWEZNQCLSA-N 0 3 272.392 3.509 20 30 CHEDHN C=C(C)COc1cc(CN2[C@H](C)C[C@H]2C)ccc1OC ZINC000527238763 330240530 /nfs/dbraw/zinc/24/05/30/330240530.db2.gz PLEQOSYGLLJWHR-ZIAGYGMSSA-N 0 3 275.392 3.633 20 30 CHEDHN C=C(C)COCCN[C@H]1C[C@H](C)c2c1cccc2C ZINC000536843694 330245877 /nfs/dbraw/zinc/24/58/77/330245877.db2.gz FLHQCXQDHUZJOJ-HOCLYGCPSA-N 0 3 259.393 3.726 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000424119650 330247436 /nfs/dbraw/zinc/24/74/36/330247436.db2.gz GAGDCAISCFQXEY-NTZNESFSSA-N 0 3 298.308 3.928 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2ccsc2Br)C1 ZINC000527712272 330276032 /nfs/dbraw/zinc/27/60/32/330276032.db2.gz IVYSJPXSGCOJMY-ONGXEEELSA-N 0 3 299.237 3.683 20 30 CHEDHN CC(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000071029227 330324695 /nfs/dbraw/zinc/32/46/95/330324695.db2.gz NPCOROIABDQKTL-OAHLLOKOSA-N 0 3 274.383 3.955 20 30 CHEDHN CC(C)(CCC#N)CN[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424200710 330326657 /nfs/dbraw/zinc/32/66/57/330326657.db2.gz RDVCKLNKRISHAB-GOEBONIOSA-N 0 3 260.356 3.543 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2C2CCC2)c(C(F)(F)F)c1 ZINC000424205973 330327692 /nfs/dbraw/zinc/32/76/92/330327692.db2.gz WMSIHJJHTOHMIT-DZGCQCFKSA-N 0 3 294.320 3.855 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000424317661 330339813 /nfs/dbraw/zinc/33/98/13/330339813.db2.gz CDEOSUVGBZBZBO-LNSITVRQSA-N 0 3 290.794 3.836 20 30 CHEDHN COc1cc(Cl)ccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424322211 330340288 /nfs/dbraw/zinc/34/02/88/330340288.db2.gz IDHACGZOYBYGFW-GMXVVIOVSA-N 0 3 278.783 3.691 20 30 CHEDHN CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC)cc1 ZINC000424335999 330343438 /nfs/dbraw/zinc/34/34/38/330343438.db2.gz XHKDZQQCIRUVKD-YSVLISHTSA-N 0 3 272.392 3.818 20 30 CHEDHN CC(C)CCN(Cc1ccc(C#N)cc1F)C1CC1 ZINC000045751844 330349119 /nfs/dbraw/zinc/34/91/19/330349119.db2.gz JOWWFZZJOOSLFR-UHFFFAOYSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CC[C@H](C)NCc1cc(Br)ccc1F ZINC000116927689 330361643 /nfs/dbraw/zinc/36/16/43/330361643.db2.gz ODVBDMWDMQLMBL-VIFPVBQESA-N 0 3 272.161 3.642 20 30 CHEDHN C=C(C)COCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000090451462 330392638 /nfs/dbraw/zinc/39/26/38/330392638.db2.gz UBHNYKCOUFWQII-MRXNPFEDSA-N 0 3 287.403 3.615 20 30 CHEDHN CC(C)c1nc(CN[C@H]2CC[C@@H](CC#N)C2)c2ccccn21 ZINC000515854467 330483537 /nfs/dbraw/zinc/48/35/37/330483537.db2.gz WQOYVVDISHHGEY-GJZGRUSLSA-N 0 3 296.418 3.630 20 30 CHEDHN C=CCN(CC=C)Cc1ccc2nc(C)sc2c1 ZINC000426036050 330499541 /nfs/dbraw/zinc/49/95/41/330499541.db2.gz OWXPQNYIQDSZHQ-UHFFFAOYSA-N 0 3 258.390 3.779 20 30 CHEDHN C[C@H](NCc1cccc(F)c1C#N)[C@@H](C)c1ccccc1 ZINC000428343365 330520668 /nfs/dbraw/zinc/52/06/68/330520668.db2.gz BGYSGWNIYWBEQE-KGLIPLIRSA-N 0 3 282.362 3.979 20 30 CHEDHN CCS[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000429680635 330551805 /nfs/dbraw/zinc/55/18/05/330551805.db2.gz IJNCPOUPBOQOGB-IAGOWNOFSA-N 0 3 291.435 3.831 20 30 CHEDHN N#CCC1(CNCc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000430023942 330557542 /nfs/dbraw/zinc/55/75/42/330557542.db2.gz PSQSEYFGOGGOHU-UHFFFAOYSA-N 0 3 286.272 3.628 20 30 CHEDHN Cc1cc(Cl)cc(C)c1CNCC1(CC#N)CC1 ZINC000430041240 330557994 /nfs/dbraw/zinc/55/79/94/330557994.db2.gz URHWDLOCGCBBDF-UHFFFAOYSA-N 0 3 262.784 3.740 20 30 CHEDHN Cc1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)CCC2 ZINC000430750038 330572827 /nfs/dbraw/zinc/57/28/27/330572827.db2.gz ARJWJSLYRABUAO-INIZCTEOSA-N 0 3 254.377 3.656 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(F)cccc1Cl ZINC000435742649 330661754 /nfs/dbraw/zinc/66/17/54/330661754.db2.gz WLYPDNSJHUEPOT-ABAIWWIYSA-N 0 3 283.774 3.550 20 30 CHEDHN C=CCN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439316567 330736851 /nfs/dbraw/zinc/73/68/51/330736851.db2.gz LNEMQGYKLGWGLD-UHFFFAOYSA-N 0 3 253.748 3.787 20 30 CHEDHN CC(C)c1cnc(CNCC2CCC(C#N)CC2)s1 ZINC000441380790 330767243 /nfs/dbraw/zinc/76/72/43/330767243.db2.gz PVPGKRFOBGJTIA-UHFFFAOYSA-N 0 3 277.437 3.686 20 30 CHEDHN C=CCC[C@H](CC)NCc1ccncc1OCC(F)F ZINC000442856125 330787503 /nfs/dbraw/zinc/78/75/03/330787503.db2.gz NPEQXJMJLCNZIG-ZDUSSCGKSA-N 0 3 284.350 3.560 20 30 CHEDHN Cc1cc(C(F)(F)F)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442870436 330788977 /nfs/dbraw/zinc/78/89/77/330788977.db2.gz CVQRMDXHNZWPJQ-RISCZKNCSA-N 0 3 282.309 3.796 20 30 CHEDHN CCOc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000443983111 330808472 /nfs/dbraw/zinc/80/84/72/330808472.db2.gz QPYJDDDVYKRNLW-UHFFFAOYSA-N 0 3 280.371 3.555 20 30 CHEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000446821530 330855148 /nfs/dbraw/zinc/85/51/48/330855148.db2.gz PUNYSIILSCKXKJ-CFAJVAMVSA-N 0 3 290.382 3.574 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000447320537 330864781 /nfs/dbraw/zinc/86/47/81/330864781.db2.gz CESSWPAAJFJASX-PWSUYJOCSA-N 0 3 288.218 3.971 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000447527072 330867854 /nfs/dbraw/zinc/86/78/54/330867854.db2.gz DWEYXPGWCLJETJ-XPKDYRNWSA-N 0 3 288.366 3.711 20 30 CHEDHN C=CC[C@@H](C)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000447581234 330871153 /nfs/dbraw/zinc/87/11/53/330871153.db2.gz SLEQMSHLXFFRQX-YPMHNXCESA-N 0 3 291.391 3.696 20 30 CHEDHN CC[C@H](NCc1ccnc(SC)c1)c1ccc(C#N)cc1 ZINC000447586227 330871704 /nfs/dbraw/zinc/87/17/04/330871704.db2.gz MWFCDMDRHLIYQL-INIZCTEOSA-N 0 3 297.427 3.916 20 30 CHEDHN CC[C@@H](N[C@H](C)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000447600333 330872531 /nfs/dbraw/zinc/87/25/31/330872531.db2.gz LXHPPSBZUXOOAJ-ZWNOBZJWSA-N 0 3 270.298 3.940 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCCOc2ccc(F)c(Cl)c2)C1 ZINC000449399573 330922503 /nfs/dbraw/zinc/92/25/03/330922503.db2.gz BTXZOCVPOKBYPL-NWDGAFQWSA-N 0 3 296.773 3.530 20 30 CHEDHN N#Cc1ccc(CNC2(Cc3ccc(F)cc3)CC2)s1 ZINC000449567827 330937463 /nfs/dbraw/zinc/93/74/63/330937463.db2.gz WHWUNRVOBAGLIK-UHFFFAOYSA-N 0 3 286.375 3.624 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000450823401 331001174 /nfs/dbraw/zinc/00/11/74/331001174.db2.gz UPBOSYNKWSKCLI-SJORKVTESA-N 0 3 268.404 3.681 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)CCN1CC1(C#N)CCC1 ZINC000450899408 331005814 /nfs/dbraw/zinc/00/58/14/331005814.db2.gz DHVLRPGQOXXHRA-NVXWUHKLSA-N 0 3 268.404 3.948 20 30 CHEDHN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1CC1(C#N)CCC1 ZINC000451189877 331019586 /nfs/dbraw/zinc/01/95/86/331019586.db2.gz RWOMAMXOOOFZHW-VYDXJSESSA-N 0 3 268.404 3.947 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC1(C#N)CCC1 ZINC000451189874 331019661 /nfs/dbraw/zinc/01/96/61/331019661.db2.gz RWOMAMXOOOFZHW-BFYDXBDKSA-N 0 3 268.404 3.947 20 30 CHEDHN N#CC1(CN[C@H]2CCCC[C@H]2CC(F)(F)F)CCC1 ZINC000451295787 331023534 /nfs/dbraw/zinc/02/35/34/331023534.db2.gz KPLPYYNGCANUPW-RYUDHWBXSA-N 0 3 274.330 3.781 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(C)C)c(Cl)c1 ZINC000451610208 331036760 /nfs/dbraw/zinc/03/67/60/331036760.db2.gz SGYVZRCROXSGFI-CABCVRRESA-N 0 3 295.810 3.560 20 30 CHEDHN C=CCN[C@@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000451690157 331039305 /nfs/dbraw/zinc/03/93/05/331039305.db2.gz LAYBQVTWEPTGCA-ZDUSSCGKSA-N 0 3 273.298 3.559 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000163515522 331049743 /nfs/dbraw/zinc/04/97/43/331049743.db2.gz SMNATLXIKNQWIU-MRXNPFEDSA-N 0 3 291.435 3.965 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccccc1SC ZINC000194938557 331080134 /nfs/dbraw/zinc/08/01/34/331080134.db2.gz SMIUAJVIFSAXGN-ZDUSSCGKSA-N 0 3 265.422 3.652 20 30 CHEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1ccsc1 ZINC000453147116 331094207 /nfs/dbraw/zinc/09/42/07/331094207.db2.gz IRUGUXXKJGFSAL-MRXNPFEDSA-N 0 3 286.400 3.739 20 30 CHEDHN C=CCC[C@@H](NCCc1scnc1C)c1ccco1 ZINC000453303379 331113558 /nfs/dbraw/zinc/11/35/58/331113558.db2.gz FYQHTMHZXKJZQJ-CYBMUJFWSA-N 0 3 276.405 3.884 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc2ccccc2o1 ZINC000453336914 331118645 /nfs/dbraw/zinc/11/86/45/331118645.db2.gz GECFYIYPAKMXAE-CFVMTHIKSA-N 0 3 271.360 3.817 20 30 CHEDHN C=C(CC)CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453360777 331122364 /nfs/dbraw/zinc/12/23/64/331122364.db2.gz MXLPBMLSZOTCTA-GFCCVEGCSA-N 0 3 272.392 3.533 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1sc(C(C)C)nc1C ZINC000453360721 331122366 /nfs/dbraw/zinc/12/23/66/331122366.db2.gz PQBLIYAYVPRFQO-AAEUAGOBSA-N 0 3 282.453 3.553 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000453364912 331123127 /nfs/dbraw/zinc/12/31/27/331123127.db2.gz QMAHAMNBYFJUKW-XYPHTWIQSA-N 0 3 289.419 3.858 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCSc2ccccc21 ZINC000453368525 331123569 /nfs/dbraw/zinc/12/35/69/331123569.db2.gz UKNRKQNIKZXMEY-KFWWJZLASA-N 0 3 275.417 3.547 20 30 CHEDHN CCn1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000453376893 331124960 /nfs/dbraw/zinc/12/49/60/331124960.db2.gz PLIPNILQLZDCJT-FZKQIMNGSA-N 0 3 294.402 3.503 20 30 CHEDHN C=CCC1(CN[C@H](C)c2nccs2)CCCC1 ZINC000453384328 331126390 /nfs/dbraw/zinc/12/63/90/331126390.db2.gz TZUBLHRYHSVWIS-GFCCVEGCSA-N 0 3 250.411 3.930 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)COC2 ZINC000453394574 331127893 /nfs/dbraw/zinc/12/78/93/331127893.db2.gz WANAYJZCHOCODD-GFCCVEGCSA-N 0 3 296.345 3.578 20 30 CHEDHN CC(C)(CNC(=O)C(C#N)CCc1ccccc1)C1CCC1 ZINC000456114528 331184441 /nfs/dbraw/zinc/18/44/41/331184441.db2.gz ATPJNOCZIXCCEI-INIZCTEOSA-N 0 3 298.430 3.701 20 30 CHEDHN C=CCN(Cc1cc(Cl)c(O)c(OCC)c1)C1CC1 ZINC000459492570 331284960 /nfs/dbraw/zinc/28/49/60/331284960.db2.gz WYUVXXLJYVWWPX-UHFFFAOYSA-N 0 3 281.783 3.595 20 30 CHEDHN C[C@@H](CCCc1cccnc1)NCC#Cc1ccc(F)cc1 ZINC000459636250 331291608 /nfs/dbraw/zinc/29/16/08/331291608.db2.gz KCEXYWRGGJYLPX-INIZCTEOSA-N 0 3 296.389 3.573 20 30 CHEDHN CN(CC1(C#N)CCC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459714359 331295437 /nfs/dbraw/zinc/29/54/37/331295437.db2.gz VACSEJRTIXAQOG-IRXDYDNUSA-N 0 3 268.404 3.948 20 30 CHEDHN Cc1nccn1-c1ccc([C@H](C)NCC(C)(C)CC#N)cc1 ZINC000459727205 331296198 /nfs/dbraw/zinc/29/61/98/331296198.db2.gz FXPLLMZAVVSNFG-AWEZNQCLSA-N 0 3 296.418 3.771 20 30 CHEDHN CC(C#N)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000461980512 331316485 /nfs/dbraw/zinc/31/64/85/331316485.db2.gz BWJJVEISRXJAHU-GFCCVEGCSA-N 0 3 290.794 3.775 20 30 CHEDHN CCCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464838894 331370607 /nfs/dbraw/zinc/37/06/07/331370607.db2.gz ZPXNFRHOEWQHII-IRXDYDNUSA-N 0 3 256.393 3.948 20 30 CHEDHN C=CC[C@@H](CC)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000466402399 331395156 /nfs/dbraw/zinc/39/51/56/331395156.db2.gz VRVQZKCXGRVPEV-VXGBXAGGSA-N 0 3 264.438 3.712 20 30 CHEDHN C=CC[C@H](CC)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000466402398 331395206 /nfs/dbraw/zinc/39/52/06/331395206.db2.gz VRVQZKCXGRVPEV-RYUDHWBXSA-N 0 3 264.438 3.712 20 30 CHEDHN C=CC[C@H](CC)NCc1nc2ccc(Cl)cc2n1C ZINC000466403137 331395224 /nfs/dbraw/zinc/39/52/24/331395224.db2.gz DSJBTRPSDWVCNG-LBPRGKRZSA-N 0 3 277.799 3.671 20 30 CHEDHN N#Cc1cccc(CCNCc2ccc(Cl)cc2F)c1 ZINC000466424365 331396500 /nfs/dbraw/zinc/39/65/00/331396500.db2.gz VUWRUGSPXIZHJL-UHFFFAOYSA-N 0 3 288.753 3.683 20 30 CHEDHN C=CCOCCCN[C@@H](C)c1ccccc1OC(F)F ZINC000470775335 331490649 /nfs/dbraw/zinc/49/06/49/331490649.db2.gz XZCAYQDPGVLDGS-LBPRGKRZSA-N 0 3 285.334 3.531 20 30 CHEDHN C=C(C)CCN[C@H](COC)c1ccc(Cl)cc1 ZINC000510779807 332916651 /nfs/dbraw/zinc/91/66/51/332916651.db2.gz LPCYLHIURGXTCO-CQSZACIVSA-N 0 3 253.773 3.583 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1C[C@H]1C)c1ccc(F)c(F)c1 ZINC000488561021 332017614 /nfs/dbraw/zinc/01/76/14/332017614.db2.gz PZQSGOHMOZGQTA-GMXABZIVSA-N 0 3 251.320 3.828 20 30 CHEDHN C=CC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000489236718 332044120 /nfs/dbraw/zinc/04/41/20/332044120.db2.gz YDHCCDRHTBJYFC-CYBMUJFWSA-N 0 3 274.364 3.862 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000489421778 332051066 /nfs/dbraw/zinc/05/10/66/332051066.db2.gz DTMXIEGRTALLHQ-OAHLLOKOSA-N 0 3 299.370 3.760 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc2ccccc2n1 ZINC000489436536 332052152 /nfs/dbraw/zinc/05/21/52/332052152.db2.gz NGQLYWRQZHSMBQ-MRXNPFEDSA-N 0 3 252.361 3.775 20 30 CHEDHN C=C[C@H]1CCCCN1CCc1ccc(F)c(F)c1 ZINC000489492200 332056230 /nfs/dbraw/zinc/05/62/30/332056230.db2.gz GBHMELWUNJXENL-ZDUSSCGKSA-N 0 3 251.320 3.548 20 30 CHEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H]1C1CCCC1 ZINC000489580122 332060104 /nfs/dbraw/zinc/06/01/04/332060104.db2.gz USVBVZIBMMRCIJ-QGZVFWFLSA-N 0 3 272.367 3.852 20 30 CHEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCO[C@H](C)C1 ZINC000491135702 332155083 /nfs/dbraw/zinc/15/50/83/332155083.db2.gz LOIXOSPPKSWEHH-HUUCEWRRSA-N 0 3 277.383 3.629 20 30 CHEDHN C#CC(C)(C)N(C)Cc1ccc(OCc2ccncc2)cc1 ZINC000491209837 332166551 /nfs/dbraw/zinc/16/65/51/332166551.db2.gz MJLZSXWKYNHAPJ-UHFFFAOYSA-N 0 3 294.398 3.504 20 30 CHEDHN C#C[C@H](NCc1cnc(-c2ccsc2)s1)C(C)C ZINC000491463997 332216747 /nfs/dbraw/zinc/21/67/47/332216747.db2.gz PLTFEGSEOCRGIC-ZDUSSCGKSA-N 0 3 276.430 3.619 20 30 CHEDHN C=CCCCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000494786876 332485636 /nfs/dbraw/zinc/48/56/36/332485636.db2.gz HMEFGCQZKDFKQL-OAHLLOKOSA-N 0 3 267.800 3.973 20 30 CHEDHN CC[C@H](CC#N)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000251398731 334361008 /nfs/dbraw/zinc/36/10/08/334361008.db2.gz YNAGZCKBOLIYMW-IKGGRYGDSA-N 0 3 256.393 3.995 20 30 CHEDHN C=CCc1cc(CN2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O ZINC000505343797 332737830 /nfs/dbraw/zinc/73/78/30/332737830.db2.gz MMGSGXIDBRNEDC-ZIAGYGMSSA-N 0 3 289.419 3.607 20 30 CHEDHN CCOCc1ccccc1CNCc1ccc(C#N)c(F)c1 ZINC000404085753 332985841 /nfs/dbraw/zinc/98/58/41/332985841.db2.gz UQZCEWKBUWGEPD-UHFFFAOYSA-N 0 3 298.361 3.524 20 30 CHEDHN CC[C@](C)(NCCCC(C)(C)C#N)c1nccs1 ZINC000174871784 333009603 /nfs/dbraw/zinc/00/96/03/333009603.db2.gz FNKXZHZBGHQAMT-AWEZNQCLSA-N 0 3 265.426 3.688 20 30 CHEDHN CC(C)C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000307823423 333017670 /nfs/dbraw/zinc/01/76/70/333017670.db2.gz DLCHFLSHHVSUAA-AWEZNQCLSA-N 0 3 260.356 3.565 20 30 CHEDHN CC[C@H](C)[C@H](C)N(Cc1ccccc1C#N)C1CC1 ZINC000513446673 333019937 /nfs/dbraw/zinc/01/99/37/333019937.db2.gz HRNZYJXKNYRQDF-KBPBESRZSA-N 0 3 256.393 3.957 20 30 CHEDHN C=CCCCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000175553961 333026726 /nfs/dbraw/zinc/02/67/26/333026726.db2.gz KPJJBWPOVNKBTD-HNNXBMFYSA-N 0 3 288.435 3.588 20 30 CHEDHN COc1cc(CN(Cc2ccccc2)C(C)C)ccc1C#N ZINC000309669314 333046930 /nfs/dbraw/zinc/04/69/30/333046930.db2.gz DGWGKSLMCNQQSF-UHFFFAOYSA-N 0 3 294.398 3.977 20 30 CHEDHN C=C1CCN(CCCOc2ccc(C)c(C)c2)CC1 ZINC000521252808 333116519 /nfs/dbraw/zinc/11/65/19/333116519.db2.gz PYYPZRFLWSJPGZ-UHFFFAOYSA-N 0 3 259.393 3.724 20 30 CHEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000217728064 333123165 /nfs/dbraw/zinc/12/31/65/333123165.db2.gz XDAFLBJQNXQJCS-WMLDXEAASA-N 0 3 272.367 3.852 20 30 CHEDHN C[C@@H]1CN(Cc2ccc(C#N)cn2)CC[C@H]1c1ccccc1 ZINC000521894588 333196432 /nfs/dbraw/zinc/19/64/32/333196432.db2.gz UAVCPUXAJAXMCX-DNVCBOLYSA-N 0 3 291.398 3.579 20 30 CHEDHN C=C(C)[C@H](NCC[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000190009699 333201698 /nfs/dbraw/zinc/20/16/98/333201698.db2.gz QJBMQINNSIRDAU-CJNGLKHVSA-N 0 3 281.346 3.741 20 30 CHEDHN CCC1(CC)CCCN(C[C@H](C#N)CCC#N)CC1 ZINC000190410947 333206309 /nfs/dbraw/zinc/20/63/09/333206309.db2.gz LOQGFKRBONPLDS-HNNXBMFYSA-N 0 3 261.413 3.722 20 30 CHEDHN CCC1(CC)CCCN(C[C@@H](C#N)CCC#N)CC1 ZINC000190410968 333206342 /nfs/dbraw/zinc/20/63/42/333206342.db2.gz LOQGFKRBONPLDS-OAHLLOKOSA-N 0 3 261.413 3.722 20 30 CHEDHN COc1ccc([C@@H]2CCN(CC#Cc3ccccc3)C2)cc1 ZINC000191976734 333228030 /nfs/dbraw/zinc/22/80/30/333228030.db2.gz WKPFSWLUTYZNIP-LJQANCHMSA-N 0 3 291.394 3.536 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000226107940 333250144 /nfs/dbraw/zinc/25/01/44/333250144.db2.gz MICPTKZYORXJAC-NVXWUHKLSA-N 0 3 284.403 3.721 20 30 CHEDHN C=CCOc1ccccc1CNCC1(SC)CCC1 ZINC000227945474 333291035 /nfs/dbraw/zinc/29/10/35/333291035.db2.gz GVGZATJJSUPUGJ-UHFFFAOYSA-N 0 3 277.433 3.627 20 30 CHEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000229413641 333304710 /nfs/dbraw/zinc/30/47/10/333304710.db2.gz KEVLJJIGZIHQKB-FRRDWIJNSA-N 0 3 260.356 3.564 20 30 CHEDHN C=CCCCCCN(C)CC(=O)N[C@H](C)c1ccccc1 ZINC000523565052 333333037 /nfs/dbraw/zinc/33/30/37/333333037.db2.gz JDWQFIJIFUMLPF-MRXNPFEDSA-N 0 3 288.435 3.542 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1cccs1 ZINC000234029227 333357119 /nfs/dbraw/zinc/35/71/19/333357119.db2.gz FDXDEOOVGZLFNE-AWEZNQCLSA-N 0 3 286.400 3.869 20 30 CHEDHN CC(C)(NCCOc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000538213418 333579514 /nfs/dbraw/zinc/57/95/14/333579514.db2.gz DJYFXOAMQZTCGW-UHFFFAOYSA-N 0 3 298.361 3.601 20 30 CHEDHN N#Cc1ccc(CNCCc2ccc3ccccc3c2)o1 ZINC000174315277 335152505 /nfs/dbraw/zinc/15/25/05/335152505.db2.gz MHQYSDBOBNUVRR-UHFFFAOYSA-N 0 3 276.339 3.637 20 30 CHEDHN CCCCO[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000539512157 333675606 /nfs/dbraw/zinc/67/56/06/333675606.db2.gz MXVAXNYUJOBRLH-GJZGRUSLSA-N 0 3 292.448 3.693 20 30 CHEDHN C[C@@]1(NCc2cccc(C#N)c2)CCCc2ccccc21 ZINC000539798562 333691323 /nfs/dbraw/zinc/69/13/23/333691323.db2.gz ZRLCLYSTHFNONU-LJQANCHMSA-N 0 3 276.383 3.900 20 30 CHEDHN Cc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000540702612 333742484 /nfs/dbraw/zinc/74/24/84/333742484.db2.gz XTNPLJLXYYUDMI-CYBMUJFWSA-N 0 3 268.335 3.857 20 30 CHEDHN Cc1cccnc1[C@@H](NCc1ccc(CC#N)cc1)C(C)C ZINC000543140283 333860150 /nfs/dbraw/zinc/86/01/50/333860150.db2.gz SMFJICYOFKCINO-SFHVURJKSA-N 0 3 293.414 3.943 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000545948388 334008461 /nfs/dbraw/zinc/00/84/61/334008461.db2.gz IZWKHLOXLXYAOT-OSAQELSMSA-N 0 3 262.784 3.725 20 30 CHEDHN C=C(C)COc1cc(CN[C@@H]2C=CCCC2)ccc1OC ZINC000237178260 334083116 /nfs/dbraw/zinc/08/31/16/334083116.db2.gz IPYPBBREGJVTNJ-MRXNPFEDSA-N 0 3 287.403 3.848 20 30 CHEDHN C=CCN(CC=C)Cc1ccccc1C(C)(C)C#N ZINC000135230306 334120390 /nfs/dbraw/zinc/12/03/90/334120390.db2.gz QAZPFOWTQLQIAE-UHFFFAOYSA-N 0 3 254.377 3.662 20 30 CHEDHN C[C@@H]1SCCN(Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000135239478 334121424 /nfs/dbraw/zinc/12/14/24/334121424.db2.gz ZDNUWOGATWEWFE-KBPBESRZSA-N 0 3 288.460 3.814 20 30 CHEDHN C=C1CCN(C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000549137038 334185974 /nfs/dbraw/zinc/18/59/74/334185974.db2.gz HDJXGVDWIAIRBO-OAHLLOKOSA-N 0 3 265.784 3.680 20 30 CHEDHN N#C[C@H]1CC[C@H](N2CCC(OCC3CCCCC3)CC2)C1 ZINC000549860623 334207090 /nfs/dbraw/zinc/20/70/90/334207090.db2.gz PGEMPARJRZZDHV-IRXDYDNUSA-N 0 3 290.451 3.740 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000551237385 334241953 /nfs/dbraw/zinc/24/19/53/334241953.db2.gz PKJSIYUQHFCKGE-OAHLLOKOSA-N 0 3 271.408 3.867 20 30 CHEDHN C=CCC[C@H](CCC)N[C@H](c1nccn1C)C1CC1 ZINC000552087576 334287636 /nfs/dbraw/zinc/28/76/36/334287636.db2.gz LDAUWMMBTVCWRL-GJZGRUSLSA-N 0 3 261.413 3.596 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000248598228 334307712 /nfs/dbraw/zinc/30/77/12/334307712.db2.gz IONXGGMULMBIBI-HDEZJCGLSA-N 0 3 256.393 3.708 20 30 CHEDHN C=CCC[C@H](NC[C@@H](O)C(CC)CC)c1ccco1 ZINC000552246382 334307883 /nfs/dbraw/zinc/30/78/83/334307883.db2.gz SDFVVYNEBBVKAB-LSDHHAIUSA-N 0 3 265.397 3.674 20 30 CHEDHN COc1ccc(F)cc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000248744791 334315721 /nfs/dbraw/zinc/31/57/21/334315721.db2.gz FIWLADCLMTYART-SCRDCRAPSA-N 0 3 276.355 3.567 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249953184 334342298 /nfs/dbraw/zinc/34/22/98/334342298.db2.gz VJPUSILAFQLTGD-ZACQAIPSSA-N 0 3 256.393 3.779 20 30 CHEDHN N#Cc1ccc(F)c(CN[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000090117271 334357603 /nfs/dbraw/zinc/35/76/03/334357603.db2.gz AMMJRSCGVPLMLP-IBGZPJMESA-N 0 3 294.373 3.808 20 30 CHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc2c(c1)CCC2 ZINC000553668831 334395084 /nfs/dbraw/zinc/39/50/84/334395084.db2.gz WBSJKSCAVSASPY-LBPRGKRZSA-N 0 3 282.412 3.959 20 30 CHEDHN C=CCOCCN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000564429731 334508165 /nfs/dbraw/zinc/50/81/65/334508165.db2.gz WAOFQZHDANKSSS-OAHLLOKOSA-N 0 3 265.372 3.705 20 30 CHEDHN CCCc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000565510386 334569914 /nfs/dbraw/zinc/56/99/14/334569914.db2.gz WFNMZAGOLXSJTK-UHFFFAOYSA-N 0 3 294.398 3.809 20 30 CHEDHN CC(C)[C@@H]1C[C@@H](CNC[C@H](C#N)CCC#N)c2ccccc21 ZINC000565827258 334600071 /nfs/dbraw/zinc/60/00/71/334600071.db2.gz CHPDNFIDARRMFM-BXWFABGCSA-N 0 3 295.430 3.947 20 30 CHEDHN CC[C@@H](NCc1cccc(O)c1)c1ccc(C#N)cc1 ZINC000566080151 334620923 /nfs/dbraw/zinc/62/09/23/334620923.db2.gz FGWKEVMQGCOIDX-QGZVFWFLSA-N 0 3 266.344 3.505 20 30 CHEDHN COc1ccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000576674935 335233346 /nfs/dbraw/zinc/23/33/46/335233346.db2.gz ZODOHERLIHWERS-DJJJIMSYSA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCC[C@@H](NCCOCC1CCC1)c1ccco1 ZINC000580543203 335269989 /nfs/dbraw/zinc/26/99/89/335269989.db2.gz QMAALPVWVFQGCK-OAHLLOKOSA-N 0 3 263.381 3.693 20 30 CHEDHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(C#N)cn1 ZINC000577506485 335361485 /nfs/dbraw/zinc/36/14/85/335361485.db2.gz XROZJLRTOQMXDP-HIFRSBDPSA-N 0 3 271.408 3.600 20 30 CHEDHN CCCOc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177686521 335379073 /nfs/dbraw/zinc/37/90/73/335379073.db2.gz ZMBISHJSLAZGBD-UHFFFAOYSA-N 0 3 286.400 3.698 20 30 CHEDHN CC1(C)CC(NCc2nc(C#N)cs2)CC(C)(C)C1 ZINC000352811984 335631744 /nfs/dbraw/zinc/63/17/44/335631744.db2.gz VINOFALOYPCGCR-UHFFFAOYSA-N 0 3 277.437 3.709 20 30 CHEDHN C=CCC1(CN[C@@H](C)c2cscn2)CCCC1 ZINC000578847124 335678499 /nfs/dbraw/zinc/67/84/99/335678499.db2.gz LALKODFQQLSAAI-LBPRGKRZSA-N 0 3 250.411 3.930 20 30 CHEDHN Cc1ccsc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000578867691 335682548 /nfs/dbraw/zinc/68/25/48/335682548.db2.gz YKQUIADHDSXQJY-ZDUSSCGKSA-N 0 3 270.401 3.973 20 30 CHEDHN C[C@H]1CCC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000383356387 336107738 /nfs/dbraw/zinc/10/77/38/336107738.db2.gz QMRMCVRKOMPDNZ-HZMBPMFUSA-N 0 3 293.208 3.599 20 30 CHEDHN CO[C@](C)(CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000384296856 336123282 /nfs/dbraw/zinc/12/32/82/336123282.db2.gz GVSBZHRAQDYJAZ-HNAYVOBHSA-N 0 3 294.398 3.771 20 30 CHEDHN C=CCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000003636379 336154815 /nfs/dbraw/zinc/15/48/15/336154815.db2.gz YSDLKZLLQIOXFT-GOSISDBHSA-N 0 3 267.372 3.755 20 30 CHEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000336157370 534002604 /nfs/dbraw/zinc/00/26/04/534002604.db2.gz AXXWYQCQGQWTMO-UGSOOPFHSA-N 0 3 277.371 3.681 20 30 CHEDHN CC(C)(NCc1ccc(C#N)s1)c1cccs1 ZINC000537306274 517403429 /nfs/dbraw/zinc/40/34/29/517403429.db2.gz IYTLJYKNRKWAIG-UHFFFAOYSA-N 0 3 262.403 3.706 20 30 CHEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCC1(C#N)CCC1)CC3 ZINC000333642096 534367624 /nfs/dbraw/zinc/36/76/24/534367624.db2.gz UMIFHCHMJYCFHW-AWEZNQCLSA-N 0 3 293.414 3.617 20 30 CHEDHN C=CCC[C@H](C)N[C@@H](C)c1ccc(Br)cn1 ZINC000279650538 518720258 /nfs/dbraw/zinc/72/02/58/518720258.db2.gz FADXBGPPEZRGQE-QWRGUYRKSA-N 0 3 283.213 3.849 20 30 CHEDHN CCO[C@@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000278500398 520314196 /nfs/dbraw/zinc/31/41/96/520314196.db2.gz NPSYUMSJIFJUDU-SFHVURJKSA-N 0 3 298.361 3.565 20 30 CHEDHN CCOc1cccc([C@H](C)NCc2ccc(C#N)cc2)c1 ZINC000068840242 521420175 /nfs/dbraw/zinc/42/01/75/521420175.db2.gz VQJUZGDPUYKWGW-AWEZNQCLSA-N 0 3 280.371 3.808 20 30 CHEDHN Cc1cnc([C@@H](C)NC2CCC(C)(C#N)CC2)s1 ZINC000334760163 534619468 /nfs/dbraw/zinc/61/94/68/534619468.db2.gz CAWKZOVLSJNFAK-LKSINWNRSA-N 0 3 263.410 3.575 20 30 CHEDHN CC[C@H](NCc1ccc(C)nc1)c1ccc(C#N)cc1 ZINC000278349374 522646253 /nfs/dbraw/zinc/64/62/53/522646253.db2.gz YXJZYLKHKPZWSG-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN CC[C@H](c1ccncc1)N(C)Cc1cccc(C#N)c1 ZINC000130260584 522968191 /nfs/dbraw/zinc/96/81/91/522968191.db2.gz XLUKSXQUXFCXKS-QGZVFWFLSA-N 0 3 265.360 3.536 20 30 CHEDHN COCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363717903 523961436 /nfs/dbraw/zinc/96/14/36/523961436.db2.gz HYEUHUCYELWWFV-CQSZACIVSA-N 0 3 280.371 3.522 20 30 CHEDHN CCc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000276158796 524070217 /nfs/dbraw/zinc/07/02/17/524070217.db2.gz CZWFTCMFVDYAPM-CQSZACIVSA-N 0 3 264.372 3.971 20 30 CHEDHN C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1F ZINC000055386697 524163360 /nfs/dbraw/zinc/16/33/60/524163360.db2.gz OIRYOENQDIIZPV-MLGOLLRUSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@H]1CC[C@@]2(CCN(Cc3cc(C#N)cs3)C2)C1 ZINC000359295383 524377647 /nfs/dbraw/zinc/37/76/47/524377647.db2.gz OTQUZKNCULIRNZ-SWLSCSKDSA-N 0 3 260.406 3.632 20 30 CHEDHN Cc1ccccc1C(C)(C)NCc1ccc(C#N)cc1 ZINC000293036977 525071535 /nfs/dbraw/zinc/07/15/35/525071535.db2.gz SALKRVRISKYCSH-UHFFFAOYSA-N 0 3 264.372 3.892 20 30 CHEDHN N#Cc1csc(CNC2(Cc3ccccc3)CCCC2)n1 ZINC000352843675 534830138 /nfs/dbraw/zinc/83/01/38/534830138.db2.gz BQCFXVLLUJYZFN-UHFFFAOYSA-N 0 3 297.427 3.660 20 30 CHEDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000036991899 525328304 /nfs/dbraw/zinc/32/83/04/525328304.db2.gz IUJIAHWLPOAMPE-KBPBESRZSA-N 0 3 280.371 3.979 20 30 CHEDHN C[C@H](NC[C@H](c1cccs1)N(C)C)c1ccc(C#N)cc1 ZINC000020147599 525412003 /nfs/dbraw/zinc/41/20/03/525412003.db2.gz SFJIOCMBNZHZDE-XJKSGUPXSA-N 0 3 299.443 3.573 20 30 CHEDHN Cc1ccc(C(=O)CCN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000274839951 526043883 /nfs/dbraw/zinc/04/38/83/526043883.db2.gz OGPSDUJLTAEPNK-OAHLLOKOSA-N 0 3 292.382 3.790 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278554508 526069072 /nfs/dbraw/zinc/06/90/72/526069072.db2.gz BCMNAZXJZFGGJX-AAEUAGOBSA-N 0 3 282.309 3.894 20 30 CHEDHN C[C@H]1CCCC[C@@H]1N(C)Cc1cc(C#N)ccc1F ZINC000055386713 526255765 /nfs/dbraw/zinc/25/57/65/526255765.db2.gz SDZLAQDAAGDSGS-LRDDRELGSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccc(F)c(C#N)c1 ZINC000352719196 526327738 /nfs/dbraw/zinc/32/77/38/526327738.db2.gz FJFFWVPOVIEUHY-UHFFFAOYSA-N 0 3 284.334 3.521 20 30 CHEDHN C=CCN1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000347549876 526455034 /nfs/dbraw/zinc/45/50/34/526455034.db2.gz BSYUCXZVFIBYKZ-UHFFFAOYSA-N 0 3 258.340 3.672 20 30 CHEDHN C=CCOc1ccc(CN2[C@H](C)CC[C@H]2C)cc1OC ZINC000354990254 526874726 /nfs/dbraw/zinc/87/47/26/526874726.db2.gz QTGIGVYRRHGTCS-ZIAGYGMSSA-N 0 3 275.392 3.633 20 30 CHEDHN C=CCCC[C@@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000347635674 527272651 /nfs/dbraw/zinc/27/26/51/527272651.db2.gz LHLYUHQVMIKURC-TZMCWYRMSA-N 0 3 251.370 3.610 20 30 CHEDHN CCC[C@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000352819970 528162724 /nfs/dbraw/zinc/16/27/24/528162724.db2.gz BOTHFEPBOATPRI-CQSZACIVSA-N 0 3 285.416 3.516 20 30 CHEDHN CCOC1CC(CCN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000353295932 528495074 /nfs/dbraw/zinc/49/50/74/528495074.db2.gz XPZGLQQHBGQDTG-DNOWBOINSA-N 0 3 290.382 3.553 20 30 CHEDHN CC(C)[C@H](CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352838449 529012324 /nfs/dbraw/zinc/01/23/24/529012324.db2.gz FNHWHDIIJMENIK-HNNXBMFYSA-N 0 3 285.416 3.544 20 30 CHEDHN CCS[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000344726224 529213862 /nfs/dbraw/zinc/21/38/62/529213862.db2.gz QREPDHKZHHDWSM-HUUCEWRRSA-N 0 3 292.423 3.851 20 30 CHEDHN CCCCCCCNCc1cc(OC)ccc1OC ZINC000104838624 567916974 /nfs/dbraw/zinc/91/69/74/567916974.db2.gz SYOXJUXNROMZAB-UHFFFAOYSA-N 0 3 265.397 3.764 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894662 946507343 /nfs/dbraw/zinc/50/73/43/946507343.db2.gz WCHVAMXXRYOOFA-KBPBESRZSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894662 946507349 /nfs/dbraw/zinc/50/73/49/946507349.db2.gz WCHVAMXXRYOOFA-KBPBESRZSA-N 0 3 299.422 3.652 20 30 CHEDHN C[C@H]1CN(Cc2cc(C#N)ccc2F)CC(C)(C)C1 ZINC000543182051 1120454269 /nfs/dbraw/zinc/45/42/69/1120454269.db2.gz NFUNXMGACMALNJ-GFCCVEGCSA-N 0 3 260.356 3.565 20 30 CHEDHN C#C[C@H]1CCCN(CCCc2c(F)cccc2Cl)C1 ZINC001182605444 1122180449 /nfs/dbraw/zinc/18/04/49/1122180449.db2.gz TXADNRLZDUWLHA-ZDUSSCGKSA-N 0 3 279.786 3.757 20 30 CHEDHN CS[C@H]1CCCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000441127771 1123060330 /nfs/dbraw/zinc/06/03/30/1123060330.db2.gz CHGGPFZQOBEUGF-INIZCTEOSA-N 0 3 293.863 3.909 20 30 CHEDHN Cc1csc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC001137156970 1125283240 /nfs/dbraw/zinc/28/32/40/1125283240.db2.gz GOVLUYGPSZMXMV-UHFFFAOYSA-N 0 3 256.374 3.560 20 30 CHEDHN COc1cccc(F)c1[C@H](C)N[C@@H](C)CCCC#N ZINC001172484369 1132231253 /nfs/dbraw/zinc/23/12/53/1132231253.db2.gz DKUDVVFFLCLBBU-RYUDHWBXSA-N 0 3 264.344 3.567 20 30 CHEDHN C=CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C(C)(C)C ZINC001233290689 1132597860 /nfs/dbraw/zinc/59/78/60/1132597860.db2.gz QSTURTGPBUDUPA-UHFFFAOYSA-N 0 3 283.799 3.841 20 30 CHEDHN C=CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C(C)(C)C ZINC001233290689 1132597865 /nfs/dbraw/zinc/59/78/65/1132597865.db2.gz QSTURTGPBUDUPA-UHFFFAOYSA-N 0 3 283.799 3.841 20 30 CHEDHN C=CCCCCCCCCCN1CCN(CCC#N)CC1 ZINC001207899189 1133859888 /nfs/dbraw/zinc/85/98/88/1133859888.db2.gz PLDNXLRPAYERIO-UHFFFAOYSA-N 0 3 291.483 3.824 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN2CCOC[C@H]2C(C)C)CC1 ZINC001208176383 1133897003 /nfs/dbraw/zinc/89/70/03/1133897003.db2.gz CILXKVIMGSEIHN-SJORKVTESA-N 0 3 263.425 3.646 20 30 CHEDHN C=CCCCCN(C)Cc1ncccc1C(F)(F)F ZINC001209201816 1133987285 /nfs/dbraw/zinc/98/72/85/1133987285.db2.gz UFBBRCSSSKFCGJ-UHFFFAOYSA-N 0 3 272.314 3.889 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(F)c2cccnc12 ZINC000051767023 1125512851 /nfs/dbraw/zinc/51/28/51/1125512851.db2.gz CCYJYZVHTXJDTC-UHFFFAOYSA-N 0 3 256.324 3.548 20 30 CHEDHN C=CCCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000532780395 1125580237 /nfs/dbraw/zinc/58/02/37/1125580237.db2.gz LCQZWUHINYCTFX-ZDUSSCGKSA-N 0 3 265.784 3.759 20 30 CHEDHN Cc1ccc2nc(CN3CCC[C@H](C#N)CC3)ccc2c1 ZINC001137215622 1125595721 /nfs/dbraw/zinc/59/57/21/1125595721.db2.gz DYRDCBDNHBSQQS-HNNXBMFYSA-N 0 3 279.387 3.669 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248898585 1125675871 /nfs/dbraw/zinc/67/58/71/1125675871.db2.gz UFENXRGTXUQQKT-XPKDYRNWSA-N 0 3 288.366 3.711 20 30 CHEDHN N#Cc1cccc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000886609006 1125696456 /nfs/dbraw/zinc/69/64/56/1125696456.db2.gz JLMVJYKSEGAVQZ-GJZGRUSLSA-N 0 3 294.320 3.723 20 30 CHEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCc2ccccc21 ZINC000191930696 1125703078 /nfs/dbraw/zinc/70/30/78/1125703078.db2.gz LIAXPCLYWXCOFO-GOSISDBHSA-N 0 3 280.346 3.817 20 30 CHEDHN C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1cccc(C#N)c1 ZINC000192354872 1125764504 /nfs/dbraw/zinc/76/45/04/1125764504.db2.gz POJREAPUMLKRCS-ACJLOTCBSA-N 0 3 292.382 3.992 20 30 CHEDHN CCN(Cc1ncccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000093159760 1125766224 /nfs/dbraw/zinc/76/62/24/1125766224.db2.gz LGJHPPJEYIQNDR-HNNXBMFYSA-N 0 3 279.387 3.845 20 30 CHEDHN C=C(C)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000509686040 1125776224 /nfs/dbraw/zinc/77/62/24/1125776224.db2.gz DTAZHLZMZNORFM-SJORKVTESA-N 0 3 254.377 3.724 20 30 CHEDHN CSc1cc(C)cc(CN2CCC[C@@H](CC#N)C2)c1 ZINC001238685802 1131232533 /nfs/dbraw/zinc/23/25/33/1131232533.db2.gz QTVLUHRACOXUOI-AWEZNQCLSA-N 0 3 274.433 3.843 20 30 CHEDHN CCc1nc2c(s1)[C@@H](NCc1cccc(C#N)c1)CCC2 ZINC000151382715 1126753332 /nfs/dbraw/zinc/75/33/32/1126753332.db2.gz CRLWOQUSKGTCOW-AWEZNQCLSA-N 0 3 297.427 3.744 20 30 CHEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2cccs2)C1 ZINC001204015598 1126769887 /nfs/dbraw/zinc/76/98/87/1126769887.db2.gz IAHJIVCUWMXRLI-OAHLLOKOSA-N 0 3 298.411 3.663 20 30 CHEDHN Cc1cccc([C@H]2CCN(CC#Cc3ccccc3)C2)c1 ZINC000483700265 1126797995 /nfs/dbraw/zinc/79/79/95/1126797995.db2.gz KAOYGXLOPHDWBP-FQEVSTJZSA-N 0 3 275.395 3.836 20 30 CHEDHN COCc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1F ZINC000181777464 1126860613 /nfs/dbraw/zinc/86/06/13/1126860613.db2.gz ZKYJMCKXEJFQJL-CYBMUJFWSA-N 0 3 298.361 3.695 20 30 CHEDHN CC1/C(=C\c2ccc(C3CCCC3)cc2)C(=O)c2ncnn21 ZINC000905083449 1126889116 /nfs/dbraw/zinc/88/91/16/1126889116.db2.gz DJJQWKQSWUZYGT-HMHNVIDESA-N 0 3 293.370 3.777 20 30 CHEDHN C#C[C@@H](NCc1ccc(Br)s1)C(C)(C)C ZINC000380105343 1126944507 /nfs/dbraw/zinc/94/45/07/1126944507.db2.gz MYKWXXRUUNHTOA-SNVBAGLBSA-N 0 3 286.238 3.648 20 30 CHEDHN C[C@H](NCc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000037211150 1126955174 /nfs/dbraw/zinc/95/51/74/1126955174.db2.gz CAIPRMXCQPDPHV-LBPRGKRZSA-N 0 3 254.308 3.548 20 30 CHEDHN CCCNc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000193155705 1126967351 /nfs/dbraw/zinc/96/73/51/1126967351.db2.gz AKGCUURGOFXWMF-UHFFFAOYSA-N 0 3 279.387 3.670 20 30 CHEDHN COCc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000038010521 1126969509 /nfs/dbraw/zinc/96/95/09/1126969509.db2.gz IHSVKDHNSAXXKM-AWEZNQCLSA-N 0 3 280.371 3.555 20 30 CHEDHN C=CCOc1ccccc1CN[C@H]1CCc2cc(N)ccc21 ZINC000569941097 1127052486 /nfs/dbraw/zinc/05/24/86/1127052486.db2.gz IOUIEIBMGPEIFN-SFHVURJKSA-N 0 3 294.398 3.611 20 30 CHEDHN Cc1cc(CNC(C)(C)c2cccs2)ccc1C#N ZINC000488273024 1127067739 /nfs/dbraw/zinc/06/77/39/1127067739.db2.gz CUAPQBZRVWXOPS-UHFFFAOYSA-N 0 3 270.401 3.953 20 30 CHEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1C(C)(C)C ZINC000911646696 1127085450 /nfs/dbraw/zinc/08/54/50/1127085450.db2.gz VSUIRGSSGXNYHE-CQSZACIVSA-N 0 3 274.408 3.606 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000192986307 1127165772 /nfs/dbraw/zinc/16/57/72/1127165772.db2.gz GUKVZWQAJKRFBH-OLZOCXBDSA-N 0 3 294.354 3.699 20 30 CHEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000588204778 1127181084 /nfs/dbraw/zinc/18/10/84/1127181084.db2.gz OCIRGUNKRBERJC-LIRRHRJNSA-N 0 3 291.398 3.845 20 30 CHEDHN CCCCCCC[C@@H](C)C(=O)N1CCC2(CN(C)C2)CC1 ZINC001274928411 1127205830 /nfs/dbraw/zinc/20/58/30/1127205830.db2.gz GXAIERCGTZBZMA-MRXNPFEDSA-N 0 3 294.483 3.537 20 30 CHEDHN C[C@@]1(NCc2ccc(C#N)s2)CCCc2ccccc21 ZINC000543748001 1127211363 /nfs/dbraw/zinc/21/13/63/1127211363.db2.gz BCNSWZVXELQKPI-QGZVFWFLSA-N 0 3 282.412 3.961 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000285036873 1127215574 /nfs/dbraw/zinc/21/55/74/1127215574.db2.gz HXLXSPOBXUDKNE-RKVPGOIHSA-N 0 3 289.419 3.641 20 30 CHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccsc1 ZINC000589344250 1127218587 /nfs/dbraw/zinc/21/85/87/1127218587.db2.gz VQDOHOFGSZQJOD-MEDUHNTESA-N 0 3 268.385 3.958 20 30 CHEDHN COc1cc(CNCc2ccccc2C2CC2)ccc1C#N ZINC000589322811 1127218641 /nfs/dbraw/zinc/21/86/41/1127218641.db2.gz LOQIMRPDZVNSDQ-UHFFFAOYSA-N 0 3 292.382 3.734 20 30 CHEDHN C=C(C)CN(CCC(C)(C)OC)Cc1cnn(C(C)C)c1 ZINC000352902732 1127249679 /nfs/dbraw/zinc/24/96/79/1127249679.db2.gz NPIBQFSSZFFYMJ-UHFFFAOYSA-N 0 3 293.455 3.657 20 30 CHEDHN C=CCCCN(CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352915934 1127250698 /nfs/dbraw/zinc/25/06/98/1127250698.db2.gz QKDUWKSTHNYQQN-UHFFFAOYSA-N 0 3 261.413 3.808 20 30 CHEDHN N#CCCC[C@@H](NCc1cncs1)c1ccccc1 ZINC000353917675 1127277982 /nfs/dbraw/zinc/27/79/82/1127277982.db2.gz VFFRYIZMGHYZGI-OAHLLOKOSA-N 0 3 271.389 3.668 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000166518744 1127284419 /nfs/dbraw/zinc/28/44/19/1127284419.db2.gz NXWFEQIRCLROFE-QGZVFWFLSA-N 0 3 268.335 3.938 20 30 CHEDHN C=C(C)COc1cc(CNCc2ccccc2)ccc1OC ZINC000057959024 1127294894 /nfs/dbraw/zinc/29/48/94/1127294894.db2.gz YRUAJAUAFVGZED-UHFFFAOYSA-N 0 3 297.398 3.940 20 30 CHEDHN C#CCCN(Cc1cc(Br)ccc1F)C(C)C ZINC000760819282 1127295007 /nfs/dbraw/zinc/29/50/07/1127295007.db2.gz HVLWJSZBQMUMPE-UHFFFAOYSA-N 0 3 298.199 3.822 20 30 CHEDHN CC(C)CC[C@H]1CCC[C@H]1NCc1ccncc1C#N ZINC000592119398 1127336417 /nfs/dbraw/zinc/33/64/17/1127336417.db2.gz UZPRXXPKPVVLDO-RHSMWYFYSA-N 0 3 271.408 3.648 20 30 CHEDHN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2ccncc2C#N)C1 ZINC000592153355 1127340007 /nfs/dbraw/zinc/34/00/07/1127340007.db2.gz AZTJQTDKRJSDSR-DOTOQJQBSA-N 0 3 283.419 3.601 20 30 CHEDHN C#Cc1ccc(CN(C)[C@H](CC)c2ccncc2)cc1 ZINC000290296593 1127389387 /nfs/dbraw/zinc/38/93/87/1127389387.db2.gz AWZGXWBEGWCMMG-GOSISDBHSA-N 0 3 264.372 3.646 20 30 CHEDHN CC[C@H]1CC[C@@H](C)N1Cc1cn2ccccc2c1C#N ZINC000357525664 1127391479 /nfs/dbraw/zinc/39/14/79/1127391479.db2.gz FIXKRTPDRPEDQI-HIFRSBDPSA-N 0 3 267.376 3.574 20 30 CHEDHN Cc1nn(-c2cccc(C)c2)cc1CNCC(C)(C)CC#N ZINC000593641270 1127392264 /nfs/dbraw/zinc/39/22/64/1127392264.db2.gz GSEOANXUVVAIAT-UHFFFAOYSA-N 0 3 296.418 3.519 20 30 CHEDHN C[C@@H]1[C@H](NCC2(C#N)CCCC2)C[C@@H]1c1ccccc1 ZINC000593653269 1127392634 /nfs/dbraw/zinc/39/26/34/1127392634.db2.gz HFQMCQGTAXPGJX-BHYGNILZSA-N 0 3 268.404 3.852 20 30 CHEDHN C[C@@H](CNCC1(C#N)CCCC1)Cc1ccccc1 ZINC000593653572 1127392885 /nfs/dbraw/zinc/39/28/85/1127392885.db2.gz QNEWCFLPENDLSI-OAHLLOKOSA-N 0 3 256.393 3.539 20 30 CHEDHN COc1ccc([C@@H](C)[C@@H](C)NCC2(C#N)CCCC2)cc1 ZINC000593655157 1127393475 /nfs/dbraw/zinc/39/34/75/1127393475.db2.gz ZWTQJBOMOUDIGU-LSDHHAIUSA-N 0 3 286.419 3.861 20 30 CHEDHN N#C[C@@H]1CC[C@H](NC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000593721634 1127395333 /nfs/dbraw/zinc/39/53/33/1127395333.db2.gz RQEDAACYMXGHJC-RISCZKNCSA-N 0 3 294.320 3.976 20 30 CHEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)CC2(CCCCC2)O1 ZINC000594058002 1127407967 /nfs/dbraw/zinc/40/79/67/1127407967.db2.gz OFTUYYFLLUKAPB-INIZCTEOSA-N 0 3 298.430 3.676 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000761054895 1127413883 /nfs/dbraw/zinc/41/38/83/1127413883.db2.gz KRMLLFXOCVBJGS-CYBMUJFWSA-N 0 3 296.336 3.872 20 30 CHEDHN N#Cc1ccc(C2(NCc3ccsc3)CCC2)cc1 ZINC000594517944 1127421052 /nfs/dbraw/zinc/42/10/52/1127421052.db2.gz DZXACZFJPGFBGT-UHFFFAOYSA-N 0 3 268.385 3.789 20 30 CHEDHN Cc1ccncc1[C@@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594516776 1127421253 /nfs/dbraw/zinc/42/12/53/1127421253.db2.gz FNWIQTBGPNAWEJ-OAHLLOKOSA-N 0 3 291.398 3.992 20 30 CHEDHN C=C(CC)CN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000358624534 1127429429 /nfs/dbraw/zinc/42/94/29/1127429429.db2.gz LZMKHNHCBLLAOC-UHFFFAOYSA-N 0 3 285.334 3.695 20 30 CHEDHN C=C(CC)CN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000358882133 1127437131 /nfs/dbraw/zinc/43/71/31/1127437131.db2.gz DROIGGLZSNRKPV-OAHLLOKOSA-N 0 3 282.391 3.575 20 30 CHEDHN CCOc1ccc(CNCc2ccc(CC#N)cc2)c(C)c1 ZINC000594951575 1127439357 /nfs/dbraw/zinc/43/93/57/1127439357.db2.gz VPDGLPURGFBBOW-UHFFFAOYSA-N 0 3 294.398 3.750 20 30 CHEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594966071 1127441217 /nfs/dbraw/zinc/44/12/17/1127441217.db2.gz KQZMDKYDHIPLLD-UHFFFAOYSA-N 0 3 280.371 3.592 20 30 CHEDHN N#CCCC[C@H](N[C@H]1CCCn2nccc21)c1ccccc1 ZINC000595038866 1127450087 /nfs/dbraw/zinc/45/00/87/1127450087.db2.gz PJQMNZIWXRRKNI-IRXDYDNUSA-N 0 3 294.402 3.743 20 30 CHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CC=CC1 ZINC000595336507 1127458996 /nfs/dbraw/zinc/45/89/96/1127458996.db2.gz ZKGZMIOOLLFQIJ-QZTJIDSGSA-N 0 3 266.388 3.724 20 30 CHEDHN C[C@H](C#N)CN(C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595301055 1127459596 /nfs/dbraw/zinc/45/95/96/1127459596.db2.gz HYDNYYSJNTYOFY-BFYDXBDKSA-N 0 3 256.393 3.662 20 30 CHEDHN CCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595620407 1127468800 /nfs/dbraw/zinc/46/88/00/1127468800.db2.gz NHLQHEFSAAKLFB-HNNXBMFYSA-N 0 3 272.392 3.601 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC000595622842 1127469024 /nfs/dbraw/zinc/46/90/24/1127469024.db2.gz DUVZQTRFKONPQM-CQSZACIVSA-N 0 3 254.377 3.690 20 30 CHEDHN Cc1cccc(C)c1[C@@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000595603573 1127470230 /nfs/dbraw/zinc/47/02/30/1127470230.db2.gz YURUADJRLVVXGC-SFHVURJKSA-N 0 3 291.398 3.907 20 30 CHEDHN N#CC[C@@H]1CCCN(CCCOc2cccc(Cl)c2)C1 ZINC000595613537 1127470661 /nfs/dbraw/zinc/47/06/61/1127470661.db2.gz FBRGAELDLJWDOR-AWEZNQCLSA-N 0 3 292.810 3.735 20 30 CHEDHN CCCc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595615025 1127471172 /nfs/dbraw/zinc/47/11/72/1127471172.db2.gz OHAHESXGFSGVIV-INIZCTEOSA-N 0 3 256.393 3.765 20 30 CHEDHN N#CCSCCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595675950 1127472228 /nfs/dbraw/zinc/47/22/28/1127472228.db2.gz ODAMYHSOEOMHOD-OAHLLOKOSA-N 0 3 290.432 3.844 20 30 CHEDHN Cc1ccc2c(c1)CN(Cc1ccc(CC#N)cc1)CC2 ZINC000595656835 1127472248 /nfs/dbraw/zinc/47/22/48/1127472248.db2.gz GBJSENSQJUPARS-UHFFFAOYSA-N 0 3 276.383 3.619 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)OC)sc1C ZINC000595845672 1127478029 /nfs/dbraw/zinc/47/80/29/1127478029.db2.gz STAURYDUJDWYIU-OKILXGFUSA-N 0 3 291.416 3.526 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000595831035 1127478684 /nfs/dbraw/zinc/47/86/84/1127478684.db2.gz KUKYVIHLDSMUHZ-HNAYVOBHSA-N 0 3 292.382 3.773 20 30 CHEDHN Cc1ccc2cc(CN3CCC(CC#N)CC3)[nH]c2c1 ZINC000597082359 1127527318 /nfs/dbraw/zinc/52/73/18/1127527318.db2.gz MXQMMILVIKMOGL-UHFFFAOYSA-N 0 3 267.376 3.602 20 30 CHEDHN CC(C)[C@H](CN1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597231731 1127535848 /nfs/dbraw/zinc/53/58/48/1127535848.db2.gz ONVGGLHKZJLKAG-DLBZAZTESA-N 0 3 256.393 3.662 20 30 CHEDHN CSc1ccc(F)cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000361441906 1127563761 /nfs/dbraw/zinc/56/37/61/1127563761.db2.gz XJYOQIJZOBUPHN-SMDDNHRTSA-N 0 3 278.396 3.720 20 30 CHEDHN C[C@@H](CCC#N)CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000602442324 1127580054 /nfs/dbraw/zinc/58/00/54/1127580054.db2.gz LYBQEQHESPEXAB-LPHOPBHVSA-N 0 3 293.414 3.833 20 30 CHEDHN C[C@@H](CCC#N)CN[C@H](c1ccccc1)c1ccccn1 ZINC000602499167 1127586966 /nfs/dbraw/zinc/58/69/66/1127586966.db2.gz NRLRITPPRKTLRU-MAUKXSAKSA-N 0 3 279.387 3.700 20 30 CHEDHN CC(C)COC[C@H](NC[C@@H](C)CCC#N)c1ccco1 ZINC000602529309 1127591724 /nfs/dbraw/zinc/59/17/24/1127591724.db2.gz GAWHKVKTQNLNKS-GJZGRUSLSA-N 0 3 278.396 3.523 20 30 CHEDHN CC(C)(c1ccccc1)C1(NCc2cccc(C#N)n2)CC1 ZINC000602682438 1127606559 /nfs/dbraw/zinc/60/65/59/1127606559.db2.gz SDIFFHPQSNSUMB-UHFFFAOYSA-N 0 3 291.398 3.553 20 30 CHEDHN C[C@@H](CCc1c[nH]c2ccccc12)NCC1(C#N)CCC1 ZINC000602696777 1127604738 /nfs/dbraw/zinc/60/47/38/1127604738.db2.gz GGPNMPPXQVSWPU-AWEZNQCLSA-N 0 3 281.403 3.772 20 30 CHEDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)NCC2(C#N)CCCC2)cc1 ZINC000602699216 1127605651 /nfs/dbraw/zinc/60/56/51/1127605651.db2.gz KSSOHWUIMXKQFG-ZTFGCOKTSA-N 0 3 298.430 3.861 20 30 CHEDHN C#CC[C@@H](NCc1csc(C)c1)c1ccccc1 ZINC000294910534 1127607735 /nfs/dbraw/zinc/60/77/35/1127607735.db2.gz AGINDJGBBCJYMM-MRXNPFEDSA-N 0 3 255.386 3.911 20 30 CHEDHN N#CCC1(CN2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000602768228 1127614228 /nfs/dbraw/zinc/61/42/28/1127614228.db2.gz LMGQNSLMDNLIAK-HNNXBMFYSA-N 0 3 258.340 3.656 20 30 CHEDHN Cc1cc(C)c(CN[C@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000602806115 1127615292 /nfs/dbraw/zinc/61/52/92/1127615292.db2.gz PBAJGAFQUZPSNG-CQSZACIVSA-N 0 3 279.387 3.729 20 30 CHEDHN CN(CC/C=C/c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602982780 1127623970 /nfs/dbraw/zinc/62/39/70/1127623970.db2.gz YAKMUALTQWVIJO-XYGPEJJOSA-N 0 3 254.377 3.714 20 30 CHEDHN CN(CC/C=C\c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602982778 1127624377 /nfs/dbraw/zinc/62/43/77/1127624377.db2.gz YAKMUALTQWVIJO-RQJZHBNNSA-N 0 3 254.377 3.714 20 30 CHEDHN C[C@@H](c1ccccc1Cl)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598586086 1127626813 /nfs/dbraw/zinc/62/68/13/1127626813.db2.gz OFLDXKRPGMYCRL-QWHCGFSZSA-N 0 3 294.826 3.634 20 30 CHEDHN N#Cc1ccc(CNCc2cccc3c2CCC3)cc1Cl ZINC000593625044 1127636805 /nfs/dbraw/zinc/63/68/05/1127636805.db2.gz QRJRXLUHXLQUAS-UHFFFAOYSA-N 0 3 296.801 3.990 20 30 CHEDHN COC[C@H](CC(C)(C)C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000593616382 1127637340 /nfs/dbraw/zinc/63/73/40/1127637340.db2.gz ZXPMUEYNHVJECU-JSGCOSHPSA-N 0 3 292.398 3.799 20 30 CHEDHN CC[C@@H](N[C@H](C)c1cnn(CC)c1)c1ccc(C#N)cc1 ZINC000295896258 1127656485 /nfs/dbraw/zinc/65/64/85/1127656485.db2.gz IEIOLVZZHDUHPL-CXAGYDPISA-N 0 3 282.391 3.577 20 30 CHEDHN CCN(Cc1cccs1)Cc1ccc(C)c(C#N)c1 ZINC000599253759 1127665237 /nfs/dbraw/zinc/66/52/37/1127665237.db2.gz QIEDXQZTVGUSFL-UHFFFAOYSA-N 0 3 270.401 3.950 20 30 CHEDHN COc1cccc([C@H](C)NCc2ccc(C)c(C#N)c2)c1 ZINC000599348794 1127668553 /nfs/dbraw/zinc/66/85/53/1127668553.db2.gz LZSVTQQOFYCHLE-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN CC(C)(C#N)CCN1CCS[C@H](c2ccccc2)C1 ZINC000363480877 1127673415 /nfs/dbraw/zinc/67/34/15/1127673415.db2.gz OXHYJNMCHCUSPP-HNNXBMFYSA-N 0 3 274.433 3.716 20 30 CHEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599516428 1127676568 /nfs/dbraw/zinc/67/65/68/1127676568.db2.gz UDCKAZFNQCGXFG-GXTWGEPZSA-N 0 3 278.346 3.836 20 30 CHEDHN C=CCOc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297154170 1127689278 /nfs/dbraw/zinc/68/92/78/1127689278.db2.gz BBNTYYMWUVUHMJ-MRXNPFEDSA-N 0 3 295.382 3.734 20 30 CHEDHN CCN(CCOc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000061799838 1127718230 /nfs/dbraw/zinc/71/82/30/1127718230.db2.gz JIICKIQYGBHLET-UHFFFAOYSA-N 0 3 298.361 3.598 20 30 CHEDHN N#CC(C(=O)C[C@H]1CCCc2ccccc21)c1ccccn1 ZINC000171776753 1127728040 /nfs/dbraw/zinc/72/80/40/1127728040.db2.gz QLXXSUQOCYJWAB-NVXWUHKLSA-N 0 3 290.366 3.768 20 30 CHEDHN C=CC1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000171952797 1127735205 /nfs/dbraw/zinc/73/52/05/1127735205.db2.gz JZOFDAFVLLMOBD-HNNXBMFYSA-N 0 3 299.336 3.637 20 30 CHEDHN CC[C@H](C)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000409445850 1127769197 /nfs/dbraw/zinc/76/91/97/1127769197.db2.gz CAECVTFUBCFEIP-USXIJHARSA-N 0 3 256.393 3.804 20 30 CHEDHN CC(=O)c1c(C)cc(C)c(CN2CCC(CC#N)CC2)c1C ZINC000543809776 1127783486 /nfs/dbraw/zinc/78/34/86/1127783486.db2.gz CXYUHNWKVLQJFH-UHFFFAOYSA-N 0 3 298.430 3.940 20 30 CHEDHN C=CCN(CC1CCCCC1)[C@@H](C)c1cnc(C)cn1 ZINC000411253864 1127850954 /nfs/dbraw/zinc/85/09/54/1127850954.db2.gz DYLPOAURSGGFNX-HNNXBMFYSA-N 0 3 273.424 3.914 20 30 CHEDHN CCN(CCc1nccs1)CCC1(C#N)CCCCC1 ZINC000411401525 1127858712 /nfs/dbraw/zinc/85/87/12/1127858712.db2.gz MWWQOQYFLIHJSD-UHFFFAOYSA-N 0 3 291.464 3.872 20 30 CHEDHN C[C@H](CCC#N)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000411700674 1127870877 /nfs/dbraw/zinc/87/08/77/1127870877.db2.gz WVLYBNXJEWMYMW-VXGBXAGGSA-N 0 3 274.330 3.733 20 30 CHEDHN COc1ccc(CNCc2c(C)cc(C)cc2C)cc1C#N ZINC000174323254 1127888923 /nfs/dbraw/zinc/88/89/23/1127888923.db2.gz TUUMQXURWHMDBU-UHFFFAOYSA-N 0 3 294.398 3.782 20 30 CHEDHN CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccncc1 ZINC000174436462 1127894355 /nfs/dbraw/zinc/89/43/55/1127894355.db2.gz SCDDSCXKIYHYPY-KDOFPFPSSA-N 0 3 295.386 3.613 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1C ZINC000035256420 1127908643 /nfs/dbraw/zinc/90/86/43/1127908643.db2.gz KZOMFDCXFYIAOL-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN COc1cc(CN(C)Cc2cc(C)ccc2C)ccc1C#N ZINC000443066329 1127929090 /nfs/dbraw/zinc/92/90/90/1127929090.db2.gz HFSDKDVPIBXVED-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN CCN(CC)Cc1cccc(NCCCCC#N)c1F ZINC001168435978 1127989157 /nfs/dbraw/zinc/98/91/57/1127989157.db2.gz JIKIPFREXYQHGL-UHFFFAOYSA-N 0 3 277.387 3.773 20 30 CHEDHN CCC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000468287587 1128000914 /nfs/dbraw/zinc/00/09/14/1128000914.db2.gz RFKLBUZCIXBSPF-CYBMUJFWSA-N 0 3 260.356 3.709 20 30 CHEDHN Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000271906778 1128077992 /nfs/dbraw/zinc/07/79/92/1128077992.db2.gz CEGBHFAYBIEOND-LLVKDONJSA-N 0 3 274.364 3.918 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470944734 1128083126 /nfs/dbraw/zinc/08/31/26/1128083126.db2.gz JSUFXJDTHSMYPR-UHIISALHSA-N 0 3 282.309 3.892 20 30 CHEDHN Cc1cc(CNCc2cccc3cc[nH]c32)ccc1C#N ZINC000443994236 1128110629 /nfs/dbraw/zinc/11/06/29/1128110629.db2.gz KXJLSAQWHSSJKJ-UHFFFAOYSA-N 0 3 275.355 3.638 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)c(C)c1)c1ccncc1 ZINC000443998748 1128112652 /nfs/dbraw/zinc/11/26/52/1128112652.db2.gz RKCRXRANFNWBRE-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)CC(C)(C)C#N ZINC000925368130 1128128485 /nfs/dbraw/zinc/12/84/85/1128128485.db2.gz XBKKSAHEYAYNBH-DOMZBBRYSA-N 0 3 272.392 3.655 20 30 CHEDHN C=CC(C)(C)CCCN[C@@H](C)c1cn(C(C)C)nn1 ZINC000926823600 1128196900 /nfs/dbraw/zinc/19/69/00/1128196900.db2.gz UTHVBMCYVXMSEH-ZDUSSCGKSA-N 0 3 264.417 3.502 20 30 CHEDHN COC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000926312310 1128166590 /nfs/dbraw/zinc/16/65/90/1128166590.db2.gz KQDWRVYHHQDHJU-WFASDCNBSA-N 0 3 294.826 3.945 20 30 CHEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccs1 ZINC000272197215 1128173266 /nfs/dbraw/zinc/17/32/66/1128173266.db2.gz INEUEPGFLCUOHU-LBPRGKRZSA-N 0 3 268.385 3.960 20 30 CHEDHN C=CCOCCCN[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926701618 1128189160 /nfs/dbraw/zinc/18/91/60/1128189160.db2.gz BMQPEXXQMIGNTN-AWEZNQCLSA-N 0 3 286.375 3.585 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000926864763 1128199018 /nfs/dbraw/zinc/19/90/18/1128199018.db2.gz OMRMNTPFKDAOLF-DOTOQJQBSA-N 0 3 296.418 3.542 20 30 CHEDHN C=CCC[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000777610466 1128205366 /nfs/dbraw/zinc/20/53/66/1128205366.db2.gz LCZOJRUOEIMECY-LJQANCHMSA-N 0 3 299.462 3.595 20 30 CHEDHN CC(C)CN(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000929404899 1128273308 /nfs/dbraw/zinc/27/33/08/1128273308.db2.gz XVLQJPAGYORUHL-UHFFFAOYSA-N 0 3 279.387 3.611 20 30 CHEDHN Cc1cc([C@@H](NCc2cncc(C#N)c2)C2CC2)ccc1F ZINC000930240446 1128309754 /nfs/dbraw/zinc/30/97/54/1128309754.db2.gz UMFUEQFUWACRGR-SFHVURJKSA-N 0 3 295.361 3.642 20 30 CHEDHN N#Cc1cncc(CN[C@@H](CC2CCC2)c2ccccc2)c1 ZINC000930246049 1128309926 /nfs/dbraw/zinc/30/99/26/1128309926.db2.gz YSGMSZJRNHFQBM-IBGZPJMESA-N 0 3 291.398 3.974 20 30 CHEDHN C=C(C)CN(CCCC(C)(F)F)Cc1ccc(CO)o1 ZINC000930457072 1128319288 /nfs/dbraw/zinc/31/92/88/1128319288.db2.gz XHJRABMJVNJAFW-UHFFFAOYSA-N 0 3 287.350 3.585 20 30 CHEDHN Cc1nc(C)c(CN[C@H](CCCC#N)c2ccccc2)[nH]1 ZINC000930570614 1128326393 /nfs/dbraw/zinc/32/63/93/1128326393.db2.gz RVZJOKHLMPSOOJ-MRXNPFEDSA-N 0 3 282.391 3.551 20 30 CHEDHN C=CCN(CC=C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000915791037 1128338999 /nfs/dbraw/zinc/33/89/99/1128338999.db2.gz FTVZGLDAGCMRBQ-UHFFFAOYSA-N 0 3 289.419 3.872 20 30 CHEDHN C=CCN(CCOC)[C@H](C)c1cccc(Cl)c1 ZINC000561634082 1128343002 /nfs/dbraw/zinc/34/30/02/1128343002.db2.gz CUDUXJKCEMPAPX-GFCCVEGCSA-N 0 3 253.773 3.535 20 30 CHEDHN CC1(C)CN(CC2CCC(C#N)CC2)[C@H]1c1cccnc1 ZINC000931085327 1128347262 /nfs/dbraw/zinc/34/72/62/1128347262.db2.gz XXZLDNDRZCOVOU-DQPZFDDXSA-N 0 3 283.419 3.794 20 30 CHEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CC1CCCCC1 ZINC001123336625 1128364541 /nfs/dbraw/zinc/36/45/41/1128364541.db2.gz JNIIAEJAHDLDJB-HIFRSBDPSA-N 0 3 287.407 3.686 20 30 CHEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)CCC(C)(C)C ZINC001123338278 1128364735 /nfs/dbraw/zinc/36/47/35/1128364735.db2.gz ZQZWAUWQYZFZFT-OLZOCXBDSA-N 0 3 275.396 3.542 20 30 CHEDHN C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccncc1C#N ZINC000932274479 1128401927 /nfs/dbraw/zinc/40/19/27/1128401927.db2.gz HTIONDPHEFNCSG-KXBFYZLASA-N 0 3 291.398 3.721 20 30 CHEDHN C[C@@H](N[C@@H](C)CCC#N)c1cc(Cl)cc2c1OCC2 ZINC000933272702 1128432276 /nfs/dbraw/zinc/43/22/76/1128432276.db2.gz OUFJZUHNHKCWBZ-WDEREUQCSA-N 0 3 278.783 3.618 20 30 CHEDHN CC(C)c1cccc(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933644770 1128438867 /nfs/dbraw/zinc/43/88/67/1128438867.db2.gz FAXCMVXFJAHYOF-UHFFFAOYSA-N 0 3 299.414 3.648 20 30 CHEDHN C[C@@H](CCC#N)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933658139 1128439543 /nfs/dbraw/zinc/43/95/43/1128439543.db2.gz WOLKEYRWNWSKCF-MAUKXSAKSA-N 0 3 282.387 3.619 20 30 CHEDHN CCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000916955480 1128464915 /nfs/dbraw/zinc/46/49/15/1128464915.db2.gz RBYVRSNQZANZNU-DOMZBBRYSA-N 0 3 286.375 3.648 20 30 CHEDHN Clc1ccc(C#CCN[C@H](c2ccncc2)C2CC2)cc1 ZINC000934692421 1128466614 /nfs/dbraw/zinc/46/66/14/1128466614.db2.gz OHIAYYSQZLBHFM-SFHVURJKSA-N 0 3 296.801 3.827 20 30 CHEDHN C=C(C)CN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC000565998237 1128537023 /nfs/dbraw/zinc/53/70/23/1128537023.db2.gz RNVVQDDONSDCOZ-UHFFFAOYSA-N 0 3 293.382 3.541 20 30 CHEDHN CC(C)(CNC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000556060279 1128543984 /nfs/dbraw/zinc/54/39/84/1128543984.db2.gz CVGQEWZRHAGQAE-CYBMUJFWSA-N 0 3 289.810 3.651 20 30 CHEDHN CCCCCCCCCN(C)Cc1cnc(C)nc1 ZINC000918742119 1128570628 /nfs/dbraw/zinc/57/06/28/1128570628.db2.gz WSWQHRKKPVYNRI-UHFFFAOYSA-N 0 3 263.429 3.967 20 30 CHEDHN CC(C)(C)c1ccc(CCN2CCC(C#N)CC2)cc1 ZINC000573970403 1128660571 /nfs/dbraw/zinc/66/05/71/1128660571.db2.gz IPIMVOINRDUYMB-UHFFFAOYSA-N 0 3 270.420 3.762 20 30 CHEDHN N#CC(C(=O)CCc1ccoc1)c1ccc2ccccc2n1 ZINC000753390120 1128716940 /nfs/dbraw/zinc/71/69/40/1128716940.db2.gz JRIOQDQWVYDZRU-OAHLLOKOSA-N 0 3 290.322 3.637 20 30 CHEDHN C=CCC[C@@H](NCc1cnc(C)n1C)c1ccccc1 ZINC000578885007 1128731555 /nfs/dbraw/zinc/73/15/55/1128731555.db2.gz ZFRBKFFKPMDICD-QGZVFWFLSA-N 0 3 269.392 3.526 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000072553276 1117761134 /nfs/dbraw/zinc/76/11/34/1117761134.db2.gz LXFQZNRRNRFDRE-UHFFFAOYSA-N 0 3 285.387 3.808 20 30 CHEDHN C#CC1CCN(Cc2cc(C)c(Cl)c(C)c2)CC1 ZINC001238097633 1117776004 /nfs/dbraw/zinc/77/60/04/1117776004.db2.gz WEVMYVYZWLBLEF-UHFFFAOYSA-N 0 3 261.796 3.802 20 30 CHEDHN C=C(C)COc1cc(CN2CC[C@@H]2CC)ccc1OC ZINC000430191771 1117833717 /nfs/dbraw/zinc/83/37/17/1117833717.db2.gz HORMAZXODGDNKG-HNNXBMFYSA-N 0 3 275.392 3.634 20 30 CHEDHN Cc1cc([C@H](C)NCc2ccc(CC#N)cc2)c(C)o1 ZINC000348096055 1117885530 /nfs/dbraw/zinc/88/55/30/1117885530.db2.gz OPHWQJCCJAVWHX-ZDUSSCGKSA-N 0 3 268.360 3.813 20 30 CHEDHN C=CC[C@H](C)N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183771601 1118048745 /nfs/dbraw/zinc/04/87/45/1118048745.db2.gz MBFLUIIFYBFIPJ-GUYCJALGSA-N 0 3 270.351 3.864 20 30 CHEDHN COc1ccc(C#N)cc1CN[C@@H](c1ccccc1)C1CC1 ZINC000179697909 1128755118 /nfs/dbraw/zinc/75/51/18/1128755118.db2.gz OUGYZQXKHRNYMP-IBGZPJMESA-N 0 3 292.382 3.808 20 30 CHEDHN C#CCN[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000764599412 1118101749 /nfs/dbraw/zinc/10/17/49/1118101749.db2.gz NSLHLUDWYRFQKA-CQSZACIVSA-N 0 3 283.346 3.689 20 30 CHEDHN CC[C@]1(C)CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000340193677 1118108480 /nfs/dbraw/zinc/10/84/80/1118108480.db2.gz CNIIHLXUQBEOKF-QGZVFWFLSA-N 0 3 272.392 3.579 20 30 CHEDHN C#CCOc1ccccc1CNCc1ccc(C)cc1C ZINC000237749876 1128757168 /nfs/dbraw/zinc/75/71/68/1128757168.db2.gz BGNINBWQHPYTNQ-UHFFFAOYSA-N 0 3 279.383 3.605 20 30 CHEDHN C=CCCN1CCC(c2c(F)cccc2F)CC1 ZINC000338571483 1118221839 /nfs/dbraw/zinc/22/18/39/1118221839.db2.gz KURCDQZDYOFJCL-UHFFFAOYSA-N 0 3 251.320 3.720 20 30 CHEDHN C=CCC[C@@H](C)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000542667517 1118237130 /nfs/dbraw/zinc/23/71/30/1118237130.db2.gz PVRXOZOGXQTHAI-OAHLLOKOSA-N 0 3 295.430 3.805 20 30 CHEDHN C[C@H]1C[C@H](c2ccccc2)N(Cc2ccc(C#N)o2)C1 ZINC000289275234 1118306021 /nfs/dbraw/zinc/30/60/21/1118306021.db2.gz GQUXJHQHOMCECM-SUMWQHHRSA-N 0 3 266.344 3.734 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1cc(C)oc1C ZINC000779167118 1128774090 /nfs/dbraw/zinc/77/40/90/1128774090.db2.gz BUEXDBDNJLNFET-UHFFFAOYSA-N 0 3 259.349 3.720 20 30 CHEDHN C=CC[C@@H](C)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001167360238 1118390123 /nfs/dbraw/zinc/39/01/23/1118390123.db2.gz KKCSORGTYAQKLD-KGLIPLIRSA-N 0 3 294.389 3.608 20 30 CHEDHN Cc1cccnc1[C@@H]1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000619612232 1118397571 /nfs/dbraw/zinc/39/75/71/1118397571.db2.gz KLRGNSVIICMJKV-CABCVRRESA-N 0 3 271.408 3.556 20 30 CHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000083399117 1118427006 /nfs/dbraw/zinc/42/70/06/1118427006.db2.gz MWPAGPCEXYSMBK-LBPRGKRZSA-N 0 3 254.308 3.548 20 30 CHEDHN CCn1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000616129698 1128776837 /nfs/dbraw/zinc/77/68/37/1128776837.db2.gz RFFSSAJTJSDMKR-CQSZACIVSA-N 0 3 267.376 3.573 20 30 CHEDHN Cc1cc(CN2CCC[C@H](C#N)CC2)cc(C)c1F ZINC001143382246 1118517802 /nfs/dbraw/zinc/51/78/02/1118517802.db2.gz XTHSBIJIYYFUBI-AWEZNQCLSA-N 0 3 260.356 3.568 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000656457833 1118556060 /nfs/dbraw/zinc/55/60/60/1118556060.db2.gz RRACXTAQZJZHSN-WBVHZDCISA-N 0 3 298.434 3.684 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1ccccc1OC(F)F ZINC000430760194 1118768365 /nfs/dbraw/zinc/76/83/65/1118768365.db2.gz INABDJZVXMLSIX-NSHDSACASA-N 0 3 280.318 3.632 20 30 CHEDHN COc1ccc2c(c1)[C@H](NCC1(CC#N)CC1)CCS2 ZINC000430763986 1118768382 /nfs/dbraw/zinc/76/83/82/1118768382.db2.gz QXEAZAVMDUVPCQ-CQSZACIVSA-N 0 3 288.416 3.516 20 30 CHEDHN Cc1cc([C@H](C)NCc2ccc(C#N)cc2)ccc1F ZINC000610583444 1118779876 /nfs/dbraw/zinc/77/98/76/1118779876.db2.gz JBFQJJWZWXKCBR-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN CN(Cc1ccc(C#N)o1)[C@@H]1CCCc2ccccc21 ZINC000535781701 1118884125 /nfs/dbraw/zinc/88/41/25/1118884125.db2.gz GPDGXHHSIFCCRW-QGZVFWFLSA-N 0 3 266.344 3.661 20 30 CHEDHN C[C@@H]1CC[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000247737488 1118913076 /nfs/dbraw/zinc/91/30/76/1118913076.db2.gz VRDYGTRXFSDEKN-AGIUHOORSA-N 0 3 282.343 3.830 20 30 CHEDHN Cc1ccc([C@H](C)N(C)Cc2ccnc(C#N)c2)c(C)c1 ZINC000610991469 1118916747 /nfs/dbraw/zinc/91/67/47/1118916747.db2.gz LMXRSROHBHZIJX-HNNXBMFYSA-N 0 3 279.387 3.763 20 30 CHEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OC2CCCC2)C1 ZINC000472140926 1118993756 /nfs/dbraw/zinc/99/37/56/1118993756.db2.gz VTBDFPNQTHGYGY-GOEBONIOSA-N 0 3 284.403 3.790 20 30 CHEDHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000611588558 1119055535 /nfs/dbraw/zinc/05/55/35/1119055535.db2.gz GJJYPWVGYRIKID-KOLCDFICSA-N 0 3 268.282 3.536 20 30 CHEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H](C(C)C)CC2)nn1 ZINC000657438804 1119091214 /nfs/dbraw/zinc/09/12/14/1119091214.db2.gz VHBAGWSQBYNELK-HZPDHXFCSA-N 0 3 290.455 3.549 20 30 CHEDHN C#CCN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176680406 1119105025 /nfs/dbraw/zinc/10/50/25/1119105025.db2.gz HIMJGZNLTLZRMS-OAHLLOKOSA-N 0 3 265.356 3.589 20 30 CHEDHN C#CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000176680406 1119105027 /nfs/dbraw/zinc/10/50/27/1119105027.db2.gz HIMJGZNLTLZRMS-OAHLLOKOSA-N 0 3 265.356 3.589 20 30 CHEDHN C#CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000176680406 1119105029 /nfs/dbraw/zinc/10/50/29/1119105029.db2.gz HIMJGZNLTLZRMS-OAHLLOKOSA-N 0 3 265.356 3.589 20 30 CHEDHN C=CCCN(C)Cc1c2ccccc2oc1C(=O)OCC ZINC000342722937 1119142792 /nfs/dbraw/zinc/14/27/92/1119142792.db2.gz BZXLKWMQUQDIAS-UHFFFAOYSA-N 0 3 287.359 3.617 20 30 CHEDHN C[C@@H]1[C@@H](C)CCCN1Cc1cc(C#N)ccc1Cl ZINC001140601122 1119240380 /nfs/dbraw/zinc/24/03/80/1119240380.db2.gz HGVVSSMLJHFCQA-NWDGAFQWSA-N 0 3 262.784 3.832 20 30 CHEDHN CC[C@H](NCc1cccc(C#N)c1)c1cccc(F)c1 ZINC000166518861 1119259843 /nfs/dbraw/zinc/25/98/43/1119259843.db2.gz FJLMNKFWRXDVLM-KRWDZBQOSA-N 0 3 268.335 3.938 20 30 CHEDHN CC(C)(C)c1cc(Nc2cccc(C#N)c2)ccn1 ZINC001213166523 1119312256 /nfs/dbraw/zinc/31/22/56/1119312256.db2.gz HAVMQSYZLIRVIA-UHFFFAOYSA-N 0 3 251.333 3.994 20 30 CHEDHN N#CCc1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000343555651 1119452851 /nfs/dbraw/zinc/45/28/51/1119452851.db2.gz DBLUIZHYBZXONY-SFHVURJKSA-N 0 3 262.356 3.700 20 30 CHEDHN CC[C@H](C)N(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000721598679 1119599554 /nfs/dbraw/zinc/59/95/54/1119599554.db2.gz UFBDYTJHJYRGAX-HNNXBMFYSA-N 0 3 279.387 3.754 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(OC)no1 ZINC000926591414 1119615310 /nfs/dbraw/zinc/61/53/10/1119615310.db2.gz LJIOUVRDRUVSSX-ZFWWWQNUSA-N 0 3 286.375 3.521 20 30 CHEDHN CC(C)(NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000176962433 1119676246 /nfs/dbraw/zinc/67/62/46/1119676246.db2.gz ZTJRPQGGYHEBFV-UHFFFAOYSA-N 0 3 274.364 3.784 20 30 CHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(-c2cccs2)cc1 ZINC000658334743 1119725772 /nfs/dbraw/zinc/72/57/72/1119725772.db2.gz AXWUDMDTAPHBAI-IUODEOHRSA-N 0 3 273.401 3.613 20 30 CHEDHN N#Cc1c(F)cc(CN2CCC[C@H]3CCCC[C@@H]32)cc1F ZINC001140754950 1119810885 /nfs/dbraw/zinc/81/08/85/1119810885.db2.gz PVMCJJUUDTYJAC-DYVFJYSZSA-N 0 3 290.357 3.991 20 30 CHEDHN C=CCN(Cc1cccs1)C[C@@H](O)c1ccc(F)cc1 ZINC000066348937 1119867360 /nfs/dbraw/zinc/86/73/60/1119867360.db2.gz MJFXOXBUDANFKD-MRXNPFEDSA-N 0 3 291.391 3.609 20 30 CHEDHN COc1ccc([C@@H](C)NCc2cccc(C#N)c2)c(C)c1 ZINC000414072339 1119881596 /nfs/dbraw/zinc/88/15/96/1119881596.db2.gz UZHYQNHDVLBKGF-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN CCc1nc(C)c([C@H](C)NCC(C)(C)CC#N)s1 ZINC000414174084 1119926607 /nfs/dbraw/zinc/92/66/07/1119926607.db2.gz XTIFFTPXQXDBPL-JTQLQIEISA-N 0 3 265.426 3.604 20 30 CHEDHN CO[C@@](C)([C@H](C)N[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000414239905 1119951665 /nfs/dbraw/zinc/95/16/65/1119951665.db2.gz NEIFWVLOLPSNBY-PRXAMGSTSA-N 0 3 290.382 3.552 20 30 CHEDHN C=CCC[C@@H](O)CN1CCc2cc(-c3ccccc3)oc2C1 ZINC000472588352 1119988022 /nfs/dbraw/zinc/98/80/22/1119988022.db2.gz ITOZCDLNFBTXMU-QGZVFWFLSA-N 0 3 297.398 3.632 20 30 CHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1 ZINC000131542722 1120016817 /nfs/dbraw/zinc/01/68/17/1120016817.db2.gz SOMDYSRDURDEHZ-DOMZBBRYSA-N 0 3 286.375 3.503 20 30 CHEDHN C[C@@H](CCc1ccc(Cl)s1)NCC(C)(C)C#N ZINC000613540425 1120017032 /nfs/dbraw/zinc/01/70/32/1120017032.db2.gz YKTWSFSOXCQHNQ-JTQLQIEISA-N 0 3 270.829 3.862 20 30 CHEDHN CC(C)(NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000103173227 1120068626 /nfs/dbraw/zinc/06/86/26/1120068626.db2.gz YIPNFVZTEFAGPK-UHFFFAOYSA-N 0 3 268.335 3.722 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000182079863 1120114348 /nfs/dbraw/zinc/11/43/48/1120114348.db2.gz JTTWCFQZMIQQIX-ZDUSSCGKSA-N 0 3 289.375 3.685 20 30 CHEDHN CCC1(CC)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000404285546 1120178184 /nfs/dbraw/zinc/17/81/84/1120178184.db2.gz XLILEPXNSOGIPE-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCOCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000314291384 1120183171 /nfs/dbraw/zinc/18/31/71/1120183171.db2.gz XJOYFODDCJUBKW-GOSISDBHSA-N 0 3 285.362 3.707 20 30 CHEDHN C=CC[C@H](NCc1ccc2c(c1)CCCO2)c1ccncc1 ZINC000921746368 1120195497 /nfs/dbraw/zinc/19/54/97/1120195497.db2.gz AYOVKKZYHWXJID-SFHVURJKSA-N 0 3 294.398 3.814 20 30 CHEDHN N#Cc1cccc(CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000062257465 1120240421 /nfs/dbraw/zinc/24/04/21/1120240421.db2.gz XCHCOAHTLOILBB-KRWDZBQOSA-N 0 3 282.774 3.989 20 30 CHEDHN C[C@H](Nc1ccc(/N=C/N(C)C)c(C#N)c1)C(C)(C)C ZINC001168685751 1120247163 /nfs/dbraw/zinc/24/71/63/1120247163.db2.gz BMERYOPEFZUTKE-HWQJWEFDSA-N 0 3 272.396 3.626 20 30 CHEDHN Cc1cccc(C)c1CNCc1cc(C#N)cs1 ZINC000132147322 1120357732 /nfs/dbraw/zinc/35/77/32/1120357732.db2.gz GPTZXQSAUKMQOQ-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN Cc1cccc([C@@H]2CCCN2Cc2ccc(CC#N)cc2)n1 ZINC000543206072 1120461169 /nfs/dbraw/zinc/46/11/69/1120461169.db2.gz NXBVSVDNLZEFAD-IBGZPJMESA-N 0 3 291.398 3.793 20 30 CHEDHN C=C(C)CNCc1cnc(-c2cccs2)s1 ZINC000119664702 1120476310 /nfs/dbraw/zinc/47/63/10/1120476310.db2.gz VLHYJBSFPHXDOU-UHFFFAOYSA-N 0 3 250.392 3.537 20 30 CHEDHN COc1ccccc1[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC000069085661 1120491511 /nfs/dbraw/zinc/49/15/11/1120491511.db2.gz MAFLAJQUUDWFBC-SFHVURJKSA-N 0 3 292.382 3.904 20 30 CHEDHN CN(CCC#N)c1ccc(CNC(C)(C)/C=C\Cl)cc1 ZINC000922651138 1120572807 /nfs/dbraw/zinc/57/28/07/1120572807.db2.gz VEFXZBXZHSAGDF-KTKRTIGZSA-N 0 3 291.826 3.657 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1C ZINC000922672244 1120578406 /nfs/dbraw/zinc/57/84/06/1120578406.db2.gz OQDNZANEXKPLQU-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1C ZINC000922672235 1120578513 /nfs/dbraw/zinc/57/85/13/1120578513.db2.gz OEOAXKLSZWNVQG-LBPRGKRZSA-N 0 3 286.400 3.788 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1C ZINC000922675426 1120579097 /nfs/dbraw/zinc/57/90/97/1120579097.db2.gz VHMPGHXLIBBHKJ-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN C#CCOc1ccccc1CN[C@H](C)c1ccccc1C ZINC000020126342 1120587356 /nfs/dbraw/zinc/58/73/56/1120587356.db2.gz ASRGWKALRXPMBP-MRXNPFEDSA-N 0 3 279.383 3.858 20 30 CHEDHN CCCCCCCN[C@H]1CCCc2oc(C)nc21 ZINC000925703407 1120641565 /nfs/dbraw/zinc/64/15/65/1120641565.db2.gz UHYAKTARXNNTEF-ZDUSSCGKSA-N 0 3 250.386 3.920 20 30 CHEDHN C=CC[C@@H](N[C@H]1CCc2ccc(OC)cc21)c1ccncc1 ZINC000766023013 1120666599 /nfs/dbraw/zinc/66/65/99/1120666599.db2.gz ZFQQYXMFPSUYFM-MOPGFXCFSA-N 0 3 294.398 3.985 20 30 CHEDHN CCC(C)(C)N(C)Cc1ccc(C#N)cc1Cl ZINC000162910783 1120695685 /nfs/dbraw/zinc/69/56/85/1120695685.db2.gz SQIMSOTWLLAUOR-UHFFFAOYSA-N 0 3 250.773 3.832 20 30 CHEDHN CCC(CC)N(CCOC)Cc1ccc(C#N)cc1Cl ZINC000162891354 1120695676 /nfs/dbraw/zinc/69/56/76/1120695676.db2.gz JXUKVCLEMWCSPD-UHFFFAOYSA-N 0 3 294.826 3.849 20 30 CHEDHN C=CC[C@H]1CC[C@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000651736761 1120731267 /nfs/dbraw/zinc/73/12/67/1120731267.db2.gz HVQCZYCDCAQLLE-GJZGRUSLSA-N 0 3 273.424 3.833 20 30 CHEDHN COc1ccc(C[C@H](C)NCC2(C#N)CCCCC2)cc1 ZINC000595097059 1120774196 /nfs/dbraw/zinc/77/41/96/1120774196.db2.gz HAYXSOFASVWDFO-HNNXBMFYSA-N 0 3 286.419 3.690 20 30 CHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000618807434 1128940913 /nfs/dbraw/zinc/94/09/13/1128940913.db2.gz YTZZUYFIYCJDPR-ORAYPTAESA-N 0 3 287.366 3.768 20 30 CHEDHN C=C(C)CCN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652204400 1120799161 /nfs/dbraw/zinc/79/91/61/1120799161.db2.gz QGKMTIVTDBNIFT-GOSISDBHSA-N 0 3 282.387 3.735 20 30 CHEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000511897600 1120815555 /nfs/dbraw/zinc/81/55/55/1120815555.db2.gz UEFOEYZZNSKZCQ-BRWVUGGUSA-N 0 3 266.388 3.558 20 30 CHEDHN C=CCC1(NCc2nnc(C(C)C)s2)CCCC1 ZINC000661851409 1120825441 /nfs/dbraw/zinc/82/54/41/1120825441.db2.gz UMQHWZWXYPCLKC-UHFFFAOYSA-N 0 3 265.426 3.640 20 30 CHEDHN C=C(C)CCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000662050239 1120865380 /nfs/dbraw/zinc/86/53/80/1120865380.db2.gz FPTADZMEHQRLJG-GFCCVEGCSA-N 0 3 274.191 3.583 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000662078063 1120871622 /nfs/dbraw/zinc/87/16/22/1120871622.db2.gz HFWLHFNGMIGFIS-RYQLBKOJSA-N 0 3 298.430 3.611 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000893545937 1120892776 /nfs/dbraw/zinc/89/27/76/1120892776.db2.gz YDYGUZRYPGTKJW-HCKVZZMMSA-N 0 3 296.336 3.879 20 30 CHEDHN C=CC1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000093359285 1128951282 /nfs/dbraw/zinc/95/12/82/1128951282.db2.gz VOSYJRKYAAWDJG-UHFFFAOYSA-N 0 3 264.438 3.839 20 30 CHEDHN C=CC[C@@H](C)N[C@@H](C)c1cc(Br)ncc1F ZINC000273902229 1121049064 /nfs/dbraw/zinc/04/90/64/1121049064.db2.gz WAPTZJSFYFJCTE-BDAKNGLRSA-N 0 3 287.176 3.598 20 30 CHEDHN N#C[C@H]1CC[C@H](Nc2ccncc2-c2ccccc2)CC1 ZINC001167844172 1121075467 /nfs/dbraw/zinc/07/54/67/1121075467.db2.gz BECFTKXWVLQTGB-KOMQPUFPSA-N 0 3 277.371 3.665 20 30 CHEDHN C#CCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000070245576 1128961743 /nfs/dbraw/zinc/96/17/43/1128961743.db2.gz IPCRVVAGXWUVTD-QGZVFWFLSA-N 0 3 253.320 3.528 20 30 CHEDHN C=CCCCCCN(C)Cc1cc(F)cc2c1OCOC2 ZINC000172654472 1121158899 /nfs/dbraw/zinc/15/88/99/1121158899.db2.gz PFWUMSWPUBVQLB-UHFFFAOYSA-N 0 3 293.382 3.870 20 30 CHEDHN C#C[C@@H](NCc1ccc(C(F)F)cc1)C(C)(C)C ZINC000702256431 1121186701 /nfs/dbraw/zinc/18/67/01/1121186701.db2.gz MIQRIKYBUBUSRK-CYBMUJFWSA-N 0 3 251.320 3.762 20 30 CHEDHN C#C[C@@H](CC)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000809685932 1121193944 /nfs/dbraw/zinc/19/39/44/1121193944.db2.gz AFXOEBOZYJZEFP-JTQLQIEISA-N 0 3 275.701 3.860 20 30 CHEDHN C=CCc1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1[O-] ZINC001138625762 1128974996 /nfs/dbraw/zinc/97/49/96/1128974996.db2.gz SQCMHZNYCGKIMD-UHFFFAOYSA-N 0 3 299.336 3.895 20 30 CHEDHN Cc1scc(CNCc2ccc(OCC#N)cc2)c1C ZINC000399857734 1121383232 /nfs/dbraw/zinc/38/32/32/1121383232.db2.gz MOSJRYICQLELSM-UHFFFAOYSA-N 0 3 286.400 3.557 20 30 CHEDHN C=C(C)CCN(CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000512506480 1121402745 /nfs/dbraw/zinc/40/27/45/1121402745.db2.gz MKNPDYVNGXWARU-UHFFFAOYSA-N 0 3 261.413 3.808 20 30 CHEDHN CCCC[C@@H](COC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512636327 1121503923 /nfs/dbraw/zinc/50/39/23/1121503923.db2.gz LCEXOJKZMBHIIX-JSGCOSHPSA-N 0 3 278.371 3.553 20 30 CHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1 ZINC000512647268 1121506270 /nfs/dbraw/zinc/50/62/70/1121506270.db2.gz HEBAUSKIJQLCKQ-KGLIPLIRSA-N 0 3 298.361 3.815 20 30 CHEDHN C=CCC1(NCc2ncnn2-c2ccccc2)CCCCC1 ZINC000625934384 1121553062 /nfs/dbraw/zinc/55/30/62/1121553062.db2.gz LRBKJIXTHSCSIF-UHFFFAOYSA-N 0 3 296.418 3.636 20 30 CHEDHN C=CCC[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000611397610 1121643912 /nfs/dbraw/zinc/64/39/12/1121643912.db2.gz DSKGXONCEJZNQN-SFHVURJKSA-N 0 3 277.371 3.750 20 30 CHEDHN N#Cc1cc(CN[C@H](c2ccc(Cl)cc2)C2CC2)ccn1 ZINC000611433470 1121648029 /nfs/dbraw/zinc/64/80/29/1121648029.db2.gz NTVRVMUJUFMMOI-KRWDZBQOSA-N 0 3 297.789 3.848 20 30 CHEDHN CCOc1ccc(CN(C)Cc2ccc(C#N)cc2C)cc1 ZINC000614396072 1121705790 /nfs/dbraw/zinc/70/57/90/1121705790.db2.gz UMMGRVGAJHJONM-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCc2ccccc2[C@@H]1C ZINC000614398479 1121708236 /nfs/dbraw/zinc/70/82/36/1121708236.db2.gz XVOFOTDLNKICQJ-HNNXBMFYSA-N 0 3 276.383 3.986 20 30 CHEDHN C=C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001178165663 1121769404 /nfs/dbraw/zinc/76/94/04/1121769404.db2.gz DBKNJWROASXDKE-LLVKDONJSA-N 0 3 272.304 3.519 20 30 CHEDHN C=CCCSCCNCc1c(Cl)cccc1N(C)C ZINC001179100877 1121845684 /nfs/dbraw/zinc/84/56/84/1121845684.db2.gz PHYPBJZTIOBLNU-UHFFFAOYSA-N 0 3 298.883 3.805 20 30 CHEDHN N#CCOc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000731214498 1121854720 /nfs/dbraw/zinc/85/47/20/1121854720.db2.gz QRLYLVBPMORRTM-UHFFFAOYSA-N 0 3 296.345 3.507 20 30 CHEDHN C=C(C)CN(C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501054590 1121949302 /nfs/dbraw/zinc/94/93/02/1121949302.db2.gz YLWAWMWDNXJMJH-UHFFFAOYSA-N 0 3 275.392 3.650 20 30 CHEDHN C=CCCCCCN(C)Cc1cc(C(=O)OC)c(CC)o1 ZINC001180199766 1121967035 /nfs/dbraw/zinc/96/70/35/1121967035.db2.gz XTYYYVSHOTUVOA-UHFFFAOYSA-N 0 3 293.407 3.807 20 30 CHEDHN C=CC[N@@H+](CCc1ccccc1)Cc1ccc(C)cc1[O-] ZINC001180280825 1121974735 /nfs/dbraw/zinc/97/47/35/1121974735.db2.gz NPGZEKFQPASVKZ-UHFFFAOYSA-N 0 3 281.399 3.931 20 30 CHEDHN C=CC[N@H+](CCc1ccccc1)Cc1ccc(C)cc1[O-] ZINC001180280825 1121974741 /nfs/dbraw/zinc/97/47/41/1121974741.db2.gz NPGZEKFQPASVKZ-UHFFFAOYSA-N 0 3 281.399 3.931 20 30 CHEDHN C#CCOc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000733328610 1121977270 /nfs/dbraw/zinc/97/72/70/1121977270.db2.gz XCRSOJJLBKXZIZ-UHFFFAOYSA-N 0 3 295.357 3.617 20 30 CHEDHN CC[C@@H](Cc1ccccc1)N(CC)CC1(C#N)CC1 ZINC000501540495 1121985342 /nfs/dbraw/zinc/98/53/42/1121985342.db2.gz PTKBIEPDJVHDRI-INIZCTEOSA-N 0 3 256.393 3.633 20 30 CHEDHN Cc1cncc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618802160 1121993872 /nfs/dbraw/zinc/99/38/72/1121993872.db2.gz CZJZSNQKTFDALC-ACJLOTCBSA-N 0 3 277.371 3.600 20 30 CHEDHN C=CCC[C@@H](CC)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001180821167 1122016973 /nfs/dbraw/zinc/01/69/73/1122016973.db2.gz WPMWBDKVJWLVKG-DGCLKSJQSA-N 0 3 267.319 3.733 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCC1(C)C ZINC000773942868 1122076220 /nfs/dbraw/zinc/07/62/20/1122076220.db2.gz IBRUJSHQGXYMHO-QWHCGFSZSA-N 0 3 295.386 3.576 20 30 CHEDHN C#C[C@H](NC[C@H]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC001182019666 1122106348 /nfs/dbraw/zinc/10/63/48/1122106348.db2.gz ANKZYMALJATROO-KEYYUXOJSA-N 0 3 259.368 3.916 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1 ZINC000774130185 1122131770 /nfs/dbraw/zinc/13/17/70/1122131770.db2.gz KEWLWFGSKVMAIE-GOSISDBHSA-N 0 3 277.371 3.595 20 30 CHEDHN C[C@H](NN=C1CCCNc2ccccc21)c1ccccc1 ZINC000774373997 1122158259 /nfs/dbraw/zinc/15/82/59/1122158259.db2.gz CWHMRHFBRKTPCC-AWEZNQCLSA-N 0 3 279.387 3.947 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2cc(OC)c(O)cc2Cl)C1 ZINC001182795690 1122187416 /nfs/dbraw/zinc/18/74/16/1122187416.db2.gz JFLITVRGQCXTRS-LBPRGKRZSA-N 0 3 295.810 3.842 20 30 CHEDHN C=CC[C@@H]1CCN(Cc2c(F)cccc2OCC)C1 ZINC001183065915 1122205544 /nfs/dbraw/zinc/20/55/44/1122205544.db2.gz ROBXINHROQMAQC-CYBMUJFWSA-N 0 3 263.356 3.622 20 30 CHEDHN C=C(C)COc1ccccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC001138665215 1129041139 /nfs/dbraw/zinc/04/11/39/1129041139.db2.gz IJZVLYAGIGHDPD-MRXNPFEDSA-N 0 3 293.357 3.873 20 30 CHEDHN C=C(C)COc1ccccc1CN1CC[C@@H](OC(C)C)C1 ZINC001138665502 1129042152 /nfs/dbraw/zinc/04/21/52/1129042152.db2.gz NPUPIJBWJGFFOP-QGZVFWFLSA-N 0 3 289.419 3.641 20 30 CHEDHN C=CC[C@H]1N(Cc2ccc(F)cn2)CCCC1(C)C ZINC000434505971 1122373406 /nfs/dbraw/zinc/37/34/06/1122373406.db2.gz AKOQZPSSMOFGNC-OAHLLOKOSA-N 0 3 262.372 3.787 20 30 CHEDHN COc1cc(CN2CC3(CCC3)[C@@H]2C(C)C)ccc1C#N ZINC000430098898 1122404608 /nfs/dbraw/zinc/40/46/08/1122404608.db2.gz KOXIVAGCMRDLAO-KRWDZBQOSA-N 0 3 284.403 3.577 20 30 CHEDHN C[C@@H](NCc1cccc2c1NCCC2)c1cccc(C#N)c1 ZINC000894308394 1122473668 /nfs/dbraw/zinc/47/36/68/1122473668.db2.gz QUXJNYCIYCJKNZ-CQSZACIVSA-N 0 3 291.398 3.767 20 30 CHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Cl)nc1 ZINC000775376883 1122533222 /nfs/dbraw/zinc/53/32/22/1122533222.db2.gz DLFCVTWYSGVXCW-INIZCTEOSA-N 0 3 297.789 3.774 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCC1CCCC1 ZINC000425531248 1122543287 /nfs/dbraw/zinc/54/32/87/1122543287.db2.gz HEIMPNJXXWURIM-OAHLLOKOSA-N 0 3 286.419 3.758 20 30 CHEDHN CCCN(Cc1cc(C#N)ccn1)[C@@H]1CCc2ccccc21 ZINC001190572582 1122543976 /nfs/dbraw/zinc/54/39/76/1122543976.db2.gz WEQKCSHRDIESTO-LJQANCHMSA-N 0 3 291.398 3.853 20 30 CHEDHN CCCCCN(CCCOC)Cc1cc(C#N)ccc1F ZINC000505889686 1122587235 /nfs/dbraw/zinc/58/72/35/1122587235.db2.gz IPXIABVFGPMBKZ-UHFFFAOYSA-N 0 3 292.398 3.726 20 30 CHEDHN C=C(C)COc1cc(CN2CCC=C(C)C2)ccc1OC ZINC000437342099 1122629674 /nfs/dbraw/zinc/62/96/74/1122629674.db2.gz FZPQWVSBNQMBKD-UHFFFAOYSA-N 0 3 287.403 3.802 20 30 CHEDHN C=C(Br)CN1CCC[C@H]1[C@@H](C)CCC ZINC001192174426 1122633209 /nfs/dbraw/zinc/63/32/09/1122633209.db2.gz ROKNKWAVCZYSBU-JQWIXIFHSA-N 0 3 260.219 3.796 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000361865027 1122642616 /nfs/dbraw/zinc/64/26/16/1122642616.db2.gz IOHCYIYCSNZFJK-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN C=C(C)[C@@H](NCC[C@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC001193574533 1122698787 /nfs/dbraw/zinc/69/87/87/1122698787.db2.gz HNTHTCOTEQTHGS-JKSUJKDBSA-N 0 3 283.362 3.579 20 30 CHEDHN C=C(C)CCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000775601516 1122748434 /nfs/dbraw/zinc/74/84/34/1122748434.db2.gz CRDFTYFOLOOWCU-INMHGKMJSA-N 0 3 259.393 3.803 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)C1CCC1 ZINC000437892735 1122757673 /nfs/dbraw/zinc/75/76/73/1122757673.db2.gz YNYHCLOXRXQDDO-UHFFFAOYSA-N 0 3 280.318 3.534 20 30 CHEDHN C#CCN(Cc1ccc(C2CCCC2)cc1)C1CC1 ZINC001194435205 1122777795 /nfs/dbraw/zinc/77/77/95/1122777795.db2.gz BAPOBSLTUKOMKW-UHFFFAOYSA-N 0 3 253.389 3.942 20 30 CHEDHN C=C(CC)CN1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001194551783 1122783336 /nfs/dbraw/zinc/78/33/36/1122783336.db2.gz MHRJCYYTIDCKNE-AWEZNQCLSA-N 0 3 278.827 3.817 20 30 CHEDHN C=C[C@@H]1CCCCN1C/C=C\c1ccccc1OC ZINC000426570137 1122825581 /nfs/dbraw/zinc/82/55/81/1122825581.db2.gz IMHIWFKQIKGBAJ-SIJIIQCFSA-N 0 3 257.377 3.749 20 30 CHEDHN CC[C@H](NCCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000345982964 1122882728 /nfs/dbraw/zinc/88/27/28/1122882728.db2.gz VYJNVCVVCVHMPT-AWEZNQCLSA-N 0 3 275.352 3.575 20 30 CHEDHN N#CCC1(CN2CCCC[C@H]2Cc2ccccc2F)CC1 ZINC001195872907 1122895400 /nfs/dbraw/zinc/89/54/00/1122895400.db2.gz GMSZUTHSZWTCPW-INIZCTEOSA-N 0 3 286.394 3.917 20 30 CHEDHN C=CC[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC001195947738 1122899869 /nfs/dbraw/zinc/89/98/69/1122899869.db2.gz WKUWVAYFDJXKQQ-ZDUSSCGKSA-N 0 3 274.795 4.000 20 30 CHEDHN C=CC[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC001196441738 1122920744 /nfs/dbraw/zinc/92/07/44/1122920744.db2.gz MFTHJFVAFUXAIA-NSHDSACASA-N 0 3 253.748 3.877 20 30 CHEDHN CN(C)Cc1ccccc1NC=Cc1ccc(C#N)cc1 ZINC001203306694 1122927568 /nfs/dbraw/zinc/92/75/68/1122927568.db2.gz MTFRVAUSYFQKPK-VAWYXSNFSA-N 0 3 277.371 3.703 20 30 CHEDHN C=CCCCCCN1CCN(c2cc(Cl)ccn2)CC1 ZINC001197937314 1122975064 /nfs/dbraw/zinc/97/50/64/1122975064.db2.gz LQQBDIWNAUDPHK-UHFFFAOYSA-N 0 3 293.842 3.603 20 30 CHEDHN C#CCC1(NCc2nccn2-c2ccccc2)CCCCC1 ZINC001198084050 1122980433 /nfs/dbraw/zinc/98/04/33/1122980433.db2.gz FQPAOTQZSGWHMV-UHFFFAOYSA-N 0 3 293.414 3.688 20 30 CHEDHN C#CCN(CCOC1CCC1)[C@H]1CCCc2ccccc21 ZINC001198105387 1122981885 /nfs/dbraw/zinc/98/18/85/1122981885.db2.gz XHGWRJSKORBONP-IBGZPJMESA-N 0 3 283.415 3.568 20 30 CHEDHN C#CCN(CCOC(C)(C)C)[C@H]1CCCc2ccccc21 ZINC001198104789 1122981971 /nfs/dbraw/zinc/98/19/71/1122981971.db2.gz RUJPFNJNNDLABX-SFHVURJKSA-N 0 3 285.431 3.814 20 30 CHEDHN C#C[C@@H]1CCCCN1Cc1ccc(OCC(F)(F)F)cc1 ZINC001198526840 1122996405 /nfs/dbraw/zinc/99/64/05/1122996405.db2.gz VKHOHAUQSRXIPH-CQSZACIVSA-N 0 3 297.320 3.615 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCO[C@@H](C(C)(C)C)CC1 ZINC001198800028 1123010997 /nfs/dbraw/zinc/01/09/97/1123010997.db2.gz HDVCFYFWEHSZBO-RHSMWYFYSA-N 0 3 286.419 3.756 20 30 CHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cccc(O)c1 ZINC000105461115 1123052557 /nfs/dbraw/zinc/05/25/57/1123052557.db2.gz JCBIPBCALQUIIS-UONOGXRCSA-N 0 3 296.370 3.534 20 30 CHEDHN CCCCCCCN(CCC(=O)OC)Cc1ccco1 ZINC001201787739 1123152087 /nfs/dbraw/zinc/15/20/87/1123152087.db2.gz KAQNRRMJJOBNMG-UHFFFAOYSA-N 0 3 281.396 3.615 20 30 CHEDHN CCCCCCCCCCN1C[C@H](F)C[C@H]1CO ZINC001201852945 1123152292 /nfs/dbraw/zinc/15/22/92/1123152292.db2.gz TWQBBBSECMPCOI-CABCVRRESA-N 0 3 259.409 3.532 20 30 CHEDHN CCCCCCCCCCN1CCc2c(cnn2C)C1 ZINC001201874814 1123156578 /nfs/dbraw/zinc/15/65/78/1123156578.db2.gz HKWFFCYLWLCQLH-UHFFFAOYSA-N 0 3 277.456 3.919 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1csc(C(C)C)n1 ZINC000280824019 1123182503 /nfs/dbraw/zinc/18/25/03/1123182503.db2.gz NSYVOEFKTCVQFV-IPYPFGDCSA-N 0 3 294.464 3.898 20 30 CHEDHN CCC#C[C@@H](C)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000665197585 1123226976 /nfs/dbraw/zinc/22/69/76/1123226976.db2.gz GGWHJGRJKRSXSH-SJLPKXTDSA-N 0 3 283.415 3.642 20 30 CHEDHN COc1cccc2cc([C@H](C)NCC3(CC#N)CC3)oc21 ZINC000430742600 1123229288 /nfs/dbraw/zinc/22/92/88/1123229288.db2.gz MSTKTFBZRINSCL-LBPRGKRZSA-N 0 3 284.359 3.786 20 30 CHEDHN Cc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)nc1 ZINC000156401006 1129112742 /nfs/dbraw/zinc/11/27/42/1129112742.db2.gz NKZUKQZLNADGAM-UHFFFAOYSA-N 0 3 279.387 3.672 20 30 CHEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC(C)C)c1 ZINC000442763139 1123336313 /nfs/dbraw/zinc/33/63/13/1123336313.db2.gz AOOHVHQYFFKMTC-GOEBONIOSA-N 0 3 272.392 3.564 20 30 CHEDHN CC[C@H](CC#N)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000054183728 1123555625 /nfs/dbraw/zinc/55/56/25/1123555625.db2.gz YNAGZCKBOLIYMW-BRWVUGGUSA-N 0 3 256.393 3.995 20 30 CHEDHN CC(C)(C#N)CCN(Cc1cccc(F)c1)C1CC1 ZINC000157728068 1129132284 /nfs/dbraw/zinc/13/22/84/1129132284.db2.gz AFERFWZSXJMQCB-UHFFFAOYSA-N 0 3 260.356 3.730 20 30 CHEDHN C=C1CCC(CNCc2nc(Cl)cs2)CC1 ZINC000896838194 1123639627 /nfs/dbraw/zinc/63/96/27/1123639627.db2.gz FIVJPUKCNLEAGT-UHFFFAOYSA-N 0 3 256.802 3.633 20 30 CHEDHN Cc1ccc(CNCc2cccc3c2NCCC3)cc1C#N ZINC000896880795 1123657807 /nfs/dbraw/zinc/65/78/07/1123657807.db2.gz ONAROBINZWRYQH-UHFFFAOYSA-N 0 3 291.398 3.515 20 30 CHEDHN C=CCN(CC=C)Cc1cccc(-c2cccnc2)c1 ZINC000158127869 1129139921 /nfs/dbraw/zinc/13/99/21/1129139921.db2.gz SCKDVWNLBBFBNU-UHFFFAOYSA-N 0 3 264.372 3.923 20 30 CHEDHN C=CC[C@@H](C=C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000860926712 1123759365 /nfs/dbraw/zinc/75/93/65/1123759365.db2.gz ASFYODNGBVEIRX-GOSISDBHSA-N 0 3 299.414 3.573 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000862445230 1123810711 /nfs/dbraw/zinc/81/07/11/1123810711.db2.gz ORISUOYRKRMLAP-CYBMUJFWSA-N 0 3 274.433 3.646 20 30 CHEDHN C#CC[C@H]1CCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000862444954 1123810839 /nfs/dbraw/zinc/81/08/39/1123810839.db2.gz JKQWKBWMDWYRDJ-LBPRGKRZSA-N 0 3 288.441 3.717 20 30 CHEDHN C#CCCOc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000862466344 1123813109 /nfs/dbraw/zinc/81/31/09/1123813109.db2.gz GODSWZJUHCFDKT-UHFFFAOYSA-N 0 3 293.357 3.710 20 30 CHEDHN CSCCON=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000794573741 1123904491 /nfs/dbraw/zinc/90/44/91/1123904491.db2.gz IMEYTTUQFJNIOR-CVRFYYNDSA-N 0 3 290.432 3.663 20 30 CHEDHN N#CC1CCC(CNCc2c(Cl)cncc2Cl)CC1 ZINC000865551623 1123994024 /nfs/dbraw/zinc/99/40/24/1123994024.db2.gz HDWJEQPMQFNKSW-UHFFFAOYSA-N 0 3 298.217 3.808 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc(C(C)(C)C)cs1 ZINC000865551989 1123994175 /nfs/dbraw/zinc/99/41/75/1123994175.db2.gz BHTHXTWYNGXUHR-DOMZBBRYSA-N 0 3 294.464 3.511 20 30 CHEDHN CC1(C)CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000223547032 1124038545 /nfs/dbraw/zinc/03/85/45/1124038545.db2.gz HSXNDABDRHFBFO-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN CC1(C)C[C@H](NCC#Cc2ccc(Cl)cc2)C(C)(C)O1 ZINC000444641387 1124049888 /nfs/dbraw/zinc/04/98/88/1124049888.db2.gz UREDOWJDQRMVAO-HNNXBMFYSA-N 0 3 291.822 3.627 20 30 CHEDHN C=CCN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000428376241 1124060100 /nfs/dbraw/zinc/06/01/00/1124060100.db2.gz QKCYTCAEWYBJCC-UHFFFAOYSA-N 0 3 292.382 3.755 20 30 CHEDHN C=CCN(C)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000428384781 1124070869 /nfs/dbraw/zinc/07/08/69/1124070869.db2.gz CXPQNEBXVOMWNF-UHFFFAOYSA-N 0 3 255.308 3.523 20 30 CHEDHN CC[C@@H](F)CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000440703624 1124078813 /nfs/dbraw/zinc/07/88/13/1124078813.db2.gz RYRLORZYXHXAEH-MRXNPFEDSA-N 0 3 262.372 3.764 20 30 CHEDHN C=CC[C@@H](C)[C@@H](C)NCc1ncc(Br)s1 ZINC000866617245 1124089347 /nfs/dbraw/zinc/08/93/47/1124089347.db2.gz ZVGVTTLJTRGHPY-RKDXNWHRSA-N 0 3 289.242 3.596 20 30 CHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cc2cnccc2o1 ZINC000866621283 1124090468 /nfs/dbraw/zinc/09/04/68/1124090468.db2.gz PXNLZERPVRLRGU-SGMGOOAPSA-N 0 3 269.348 3.561 20 30 CHEDHN N#CC(C(=O)CC/C=C/c1ccccc1)c1ccccn1 ZINC000121652277 1124098296 /nfs/dbraw/zinc/09/82/96/1124098296.db2.gz PXVAMBLZSZFNCS-WJXUGBSRSA-N 0 3 276.339 3.751 20 30 CHEDHN C[C@@H]1CCC[C@H](C)CN1Cc1ccc(F)cc1C#N ZINC000525124779 1124115785 /nfs/dbraw/zinc/11/57/85/1124115785.db2.gz JRJSVFATDATWJU-QWHCGFSZSA-N 0 3 260.356 3.708 20 30 CHEDHN CCc1cc(CN2CCC(OC(C)C)CC2)ccc1C#N ZINC001238777030 1131244308 /nfs/dbraw/zinc/24/43/08/1131244308.db2.gz ZPDXKBJRMGIHKS-UHFFFAOYSA-N 0 3 286.419 3.510 20 30 CHEDHN CCc1cc(CN2CC(c3ccccc3)C2)ccc1C#N ZINC001238777698 1131245172 /nfs/dbraw/zinc/24/51/72/1131245172.db2.gz GTVBAZDUNPCSKE-UHFFFAOYSA-N 0 3 276.383 3.720 20 30 CHEDHN C=C(CN[C@H]1CCCc2occc21)c1ccccc1 ZINC000447546437 1124486464 /nfs/dbraw/zinc/48/64/64/1124486464.db2.gz VWVXSMPBCSFBJE-INIZCTEOSA-N 0 3 253.345 3.960 20 30 CHEDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(CC#N)CC1 ZINC000527053367 1124547141 /nfs/dbraw/zinc/54/71/41/1124547141.db2.gz IWUXDBYPZAFZKK-SDNWHVSQSA-N 0 3 299.374 3.624 20 30 CHEDHN CCc1ccccc1CN(C)Cc1cccc(C#N)c1 ZINC000527325147 1124566568 /nfs/dbraw/zinc/56/65/68/1124566568.db2.gz LPLSXARHIUYRKP-UHFFFAOYSA-N 0 3 264.372 3.753 20 30 CHEDHN C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc([O-])c1F ZINC000872069662 1124673085 /nfs/dbraw/zinc/67/30/85/1124673085.db2.gz RTLHCJADGUFQQR-PNESKVBLSA-N 0 3 276.355 3.512 20 30 CHEDHN C[C@H](NCC(C)(C)CCC#N)c1c(F)cccc1[N+](=O)[O-] ZINC000872070484 1124674311 /nfs/dbraw/zinc/67/43/11/1124674311.db2.gz DGWWBKAXWOWJDV-NSHDSACASA-N 0 3 293.342 3.714 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000449239997 1124679503 /nfs/dbraw/zinc/67/95/03/1124679503.db2.gz XJDPHCJRWRRSDG-GOEBONIOSA-N 0 3 284.407 3.619 20 30 CHEDHN CN(Cc1c[nH]c2c1cccc2F)Cc1ccc(C#N)cc1 ZINC001137055763 1124682628 /nfs/dbraw/zinc/68/26/28/1124682628.db2.gz FAGMYAMAMLIIIG-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1 ZINC000872131467 1124691317 /nfs/dbraw/zinc/69/13/17/1124691317.db2.gz UXHNZDQNJBNJQN-GMXVVIOVSA-N 0 3 297.324 3.833 20 30 CHEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001123233053 1131309374 /nfs/dbraw/zinc/30/93/74/1131309374.db2.gz FHTUIRGDAUTYSG-BZUAXINKSA-N 0 3 299.418 3.686 20 30 CHEDHN CCN(CC)Cc1cncc(/C=C/c2ccc(C#N)cc2)c1 ZINC001239302668 1131312209 /nfs/dbraw/zinc/31/22/09/1131312209.db2.gz BIXRRCLFAANHGB-JXMROGBWSA-N 0 3 291.398 3.965 20 30 CHEDHN C=C(CC)CNCc1ccccc1OCc1ccccn1 ZINC000449736661 1124855090 /nfs/dbraw/zinc/85/50/90/1124855090.db2.gz XBMGJLCCLLHYEB-UHFFFAOYSA-N 0 3 282.387 3.716 20 30 CHEDHN CCCC[C@@H](CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123477715 1131315384 /nfs/dbraw/zinc/31/53/84/1131315384.db2.gz WPLLWMISXIWNSU-PWSUYJOCSA-N 0 3 280.318 3.752 20 30 CHEDHN CCC[C@@](C)(CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123476422 1131315435 /nfs/dbraw/zinc/31/54/35/1131315435.db2.gz MWGMXUJUXJXXHM-XHDPSFHLSA-N 0 3 280.318 3.752 20 30 CHEDHN N#Cc1cnc(Cl)c(CN2CCC3(CCCC3)CC2)c1 ZINC000876689656 1124970235 /nfs/dbraw/zinc/97/02/35/1124970235.db2.gz IZSJNTODLONZBU-UHFFFAOYSA-N 0 3 289.810 3.763 20 30 CHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000876992591 1124995314 /nfs/dbraw/zinc/99/53/14/1124995314.db2.gz HFHWQNGUVRNPFV-IINYFYTJSA-N 0 3 280.799 3.609 20 30 CHEDHN C[C@H]1C[C@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 ZINC000877520790 1125037905 /nfs/dbraw/zinc/03/79/05/1125037905.db2.gz HYNZVMICQCHECC-KBXCAEBGSA-N 0 3 277.371 3.536 20 30 CHEDHN CCC(C)(C)CCNCc1cc(C#N)cnc1Cl ZINC000877673189 1125061496 /nfs/dbraw/zinc/06/14/96/1125061496.db2.gz BIZZQHKMVOYAKN-UHFFFAOYSA-N 0 3 265.788 3.523 20 30 CHEDHN C[C@H](NCc1cc(C#N)cnc1Cl)[C@@]12C[C@@H]1CCCC2 ZINC000877686002 1125064719 /nfs/dbraw/zinc/06/47/19/1125064719.db2.gz JSOJSRLKIQTQBZ-HZUKXOBISA-N 0 3 289.810 3.665 20 30 CHEDHN C#CCCCCCCNCc1noc2ccc(F)cc21 ZINC000877710685 1125067479 /nfs/dbraw/zinc/06/74/79/1125067479.db2.gz QYSMEGRNEGDAOB-UHFFFAOYSA-N 0 3 274.339 3.640 20 30 CHEDHN C=CC[C@@H](C)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000878258086 1125135213 /nfs/dbraw/zinc/13/52/13/1125135213.db2.gz YPIUJMNQGKLAOV-OAHLLOKOSA-N 0 3 274.408 3.528 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878886731 1125183490 /nfs/dbraw/zinc/18/34/90/1125183490.db2.gz OEPIXNNVKIPLFZ-QXAKKESOSA-N 0 3 298.430 3.922 20 30 CHEDHN C=CCN[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000532047863 1125231281 /nfs/dbraw/zinc/23/12/81/1125231281.db2.gz QQOTULDCZJZGOT-SFHVURJKSA-N 0 3 267.372 3.869 20 30 CHEDHN C=CCN(CCOC)Cc1ccc(Cl)c2cccnc12 ZINC000191762325 1125327718 /nfs/dbraw/zinc/32/77/18/1125327718.db2.gz YSOGAQMXEGMUDK-UHFFFAOYSA-N 0 3 290.794 3.523 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccsc1 ZINC000399267840 1125338983 /nfs/dbraw/zinc/33/89/83/1125338983.db2.gz SNYDDEIBYPJVMH-LBPRGKRZSA-N 0 3 256.374 3.665 20 30 CHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610539398 1125352703 /nfs/dbraw/zinc/35/27/03/1125352703.db2.gz NUDZXLKURURMPK-OLZOCXBDSA-N 0 3 295.342 3.878 20 30 CHEDHN C=CCC[C@H](NCc1nc(C(C)C)cs1)[C@@H]1CCCO1 ZINC000883198802 1125376750 /nfs/dbraw/zinc/37/67/50/1125376750.db2.gz QAIMBPDJKFPPPG-ZFWWWQNUSA-N 0 3 294.464 3.870 20 30 CHEDHN COc1ccc(C2CC2)cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000883265898 1125388644 /nfs/dbraw/zinc/38/86/44/1125388644.db2.gz NMHYBZDDAHGBBM-SUMWQHHRSA-N 0 3 284.403 3.745 20 30 CHEDHN C=CCCC[C@@H](NCc1cnc(C)n1C)c1ccccc1 ZINC000883325282 1125396841 /nfs/dbraw/zinc/39/68/41/1125396841.db2.gz WBOXFGZWODRMKZ-GOSISDBHSA-N 0 3 283.419 3.916 20 30 CHEDHN CC(C)(CCC#N)CN[C@@H]1c2ccccc2CC[C@H]1F ZINC000883382767 1125406905 /nfs/dbraw/zinc/40/69/05/1125406905.db2.gz MUSXWJSNDBCMNL-HZPDHXFCSA-N 0 3 274.383 3.932 20 30 CHEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000883393215 1125408694 /nfs/dbraw/zinc/40/86/94/1125408694.db2.gz YDXHNHTXBXNNOP-YJBOKZPZSA-N 0 3 296.414 3.726 20 30 CHEDHN COc1ccc2[nH]cc(C3=CCN(CCCC#N)CC3)c2c1 ZINC000125527210 1125450023 /nfs/dbraw/zinc/45/00/23/1125450023.db2.gz ZGWHYTJXDDKSGO-UHFFFAOYSA-N 0 3 295.386 3.569 20 30 CHEDHN C=CCN(CCC[C@@H]1CCO1)Cc1ccc(Cl)s1 ZINC000637866640 1129232542 /nfs/dbraw/zinc/23/25/42/1129232542.db2.gz BLDVILKNLHZSCY-GFCCVEGCSA-N 0 3 285.840 3.959 20 30 CHEDHN C=CC(C)(C)CNCc1nc(C)c(Br)s1 ZINC000719232402 1129323318 /nfs/dbraw/zinc/32/33/18/1129323318.db2.gz SHMKILVLJNITQT-UHFFFAOYSA-N 0 3 289.242 3.516 20 30 CHEDHN CCN(CC)c1ccc(CNCC#Cc2ccccc2)cc1 ZINC000736355713 1129373222 /nfs/dbraw/zinc/37/32/22/1129373222.db2.gz VKLMVUXKXULNKV-UHFFFAOYSA-N 0 3 292.426 3.674 20 30 CHEDHN CCCCCCCCCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000741626561 1129446625 /nfs/dbraw/zinc/44/66/25/1129446625.db2.gz ZOCXAQUZTFKTCW-INIZCTEOSA-N 0 3 282.472 3.680 20 30 CHEDHN C#CCN(Cc1sc(C)nc1C)C1CCCCC1 ZINC000741781191 1129452121 /nfs/dbraw/zinc/45/21/21/1129452121.db2.gz LVCXTMMYVLXSNV-UHFFFAOYSA-N 0 3 262.422 3.528 20 30 CHEDHN CCCCCCCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000741789335 1129453361 /nfs/dbraw/zinc/45/33/61/1129453361.db2.gz ZCXBSQFRJJIXAI-KRWDZBQOSA-N 0 3 289.467 3.731 20 30 CHEDHN C#CCOc1ccc(CNCc2cc(C)sc2C)cc1 ZINC000742373326 1129475613 /nfs/dbraw/zinc/47/56/13/1129475613.db2.gz KFEGKQJCGIIJGR-UHFFFAOYSA-N 0 3 285.412 3.667 20 30 CHEDHN CC#CCN(C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000645262139 1129493156 /nfs/dbraw/zinc/49/31/56/1129493156.db2.gz HKGWGWROOBTMOK-NSHDSACASA-N 0 3 271.282 3.601 20 30 CHEDHN C=CCOCCN[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000388690689 1129655936 /nfs/dbraw/zinc/65/59/36/1129655936.db2.gz SBDGOHHQGULVCV-LLVKDONJSA-N 0 3 282.453 3.602 20 30 CHEDHN CCC#C[C@H](C)N1CCC([C@H](O)c2ccccc2C)CC1 ZINC000796419608 1129702630 /nfs/dbraw/zinc/70/26/30/1129702630.db2.gz SPNKKFARIAQKOU-LPHOPBHVSA-N 0 3 285.431 3.542 20 30 CHEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H]2CCC(C)C)nn1 ZINC000653634060 1129789162 /nfs/dbraw/zinc/78/91/62/1129789162.db2.gz JEWXDHMQZBLWKQ-DOTOQJQBSA-N 0 3 290.455 3.549 20 30 CHEDHN C#CCOc1ccc(CN(C)Cc2ccc(C)s2)cc1 ZINC000769317448 1129902510 /nfs/dbraw/zinc/90/25/10/1129902510.db2.gz QGSSCIQIRFQMIP-UHFFFAOYSA-N 0 3 285.412 3.701 20 30 CHEDHN C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccc1[O-] ZINC000800989420 1129902787 /nfs/dbraw/zinc/90/27/87/1129902787.db2.gz CKSSGHIPURWNQC-NSHDSACASA-N 0 3 286.762 3.768 20 30 CHEDHN N#CCC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137712946 1131406975 /nfs/dbraw/zinc/40/69/75/1131406975.db2.gz TVQPUKRMQKRQFU-UHFFFAOYSA-N 0 3 287.794 3.947 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CSC2(C)C)c([O-])c1 ZINC000801646800 1129936071 /nfs/dbraw/zinc/93/60/71/1129936071.db2.gz WGKGBGCWLWXAPL-HAKPAVFJSA-N 0 3 292.448 3.551 20 30 CHEDHN CN(Cc1cc(C#N)cs1)[C@H]1C[C@@H]1c1ccccc1 ZINC000770349946 1129945895 /nfs/dbraw/zinc/94/58/95/1129945895.db2.gz OQHRVYGYCFDZPY-CVEARBPZSA-N 0 3 268.385 3.608 20 30 CHEDHN CCc1ccc([C@@H]2CCCCCN2CCO[C@H](C)C#N)o1 ZINC000801922912 1129959447 /nfs/dbraw/zinc/95/94/47/1129959447.db2.gz SNTQSYSQSJAQEN-ZBFHGGJFSA-N 0 3 290.407 3.688 20 30 CHEDHN C[C@H](C#N)OCCN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000801938955 1129961908 /nfs/dbraw/zinc/96/19/08/1129961908.db2.gz LRSBVUMCQITXES-IAQYHMDHSA-N 0 3 296.361 3.570 20 30 CHEDHN C[C@@H](C#N)OCCN[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000801938956 1129961996 /nfs/dbraw/zinc/96/19/96/1129961996.db2.gz LRSBVUMCQITXES-NHYWBVRUSA-N 0 3 296.361 3.570 20 30 CHEDHN CNc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000902601761 1130030111 /nfs/dbraw/zinc/03/01/11/1130030111.db2.gz RKUSZAQNPXPYJA-IBGZPJMESA-N 0 3 291.398 3.767 20 30 CHEDHN CC[C@H](NCc1ccc(OC)c(F)c1)c1cccc(C#N)c1 ZINC000902733130 1130047470 /nfs/dbraw/zinc/04/74/70/1130047470.db2.gz NNQCWCFSMSPTDQ-KRWDZBQOSA-N 0 3 298.361 3.947 20 30 CHEDHN C=CCC[C@@H](NCc1nc(C)cs1)[C@]1(C)CCCCO1 ZINC000902735484 1130048425 /nfs/dbraw/zinc/04/84/25/1130048425.db2.gz DOZAGRBJPYCDRN-ZBFHGGJFSA-N 0 3 294.464 3.835 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cn(CCC)nn1 ZINC000903024677 1130102190 /nfs/dbraw/zinc/10/21/90/1130102190.db2.gz MZFBPTPMPRIXKF-NVXWUHKLSA-N 0 3 298.434 3.526 20 30 CHEDHN CC[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cccc(C#N)c1 ZINC000903049753 1130104909 /nfs/dbraw/zinc/10/49/09/1130104909.db2.gz FVILKGBQKGJHCV-FHWLQOOXSA-N 0 3 292.382 3.777 20 30 CHEDHN CCC(CC)(CN[C@@H](C)c1cc(C#N)ccn1)C(F)(F)F ZINC000903080020 1130109768 /nfs/dbraw/zinc/10/97/68/1130109768.db2.gz HOZDKPPBQIKRJN-NSHDSACASA-N 0 3 299.340 3.973 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@H](c1ncccn1)C1CC1 ZINC000903330678 1130157647 /nfs/dbraw/zinc/15/76/47/1130157647.db2.gz IIKVWFNJIMEAJR-CABCVRRESA-N 0 3 259.397 3.652 20 30 CHEDHN CC(C)=CCCC(C)=Nn1cnnc1-c1ccccc1 ZINC000749159003 1130269295 /nfs/dbraw/zinc/26/92/95/1130269295.db2.gz WOKOMKOJMRAQSV-UHFFFAOYSA-N 0 3 268.364 3.916 20 30 CHEDHN [O-]/N=C/c1cccc(C2=CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001240386440 1130285913 /nfs/dbraw/zinc/28/59/13/1130285913.db2.gz CMXKJMSWAVHKKR-DEDYPNTBSA-N 0 3 292.382 3.784 20 30 CHEDHN [O-]/N=C/c1cccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240386440 1130285919 /nfs/dbraw/zinc/28/59/19/1130285919.db2.gz CMXKJMSWAVHKKR-DEDYPNTBSA-N 0 3 292.382 3.784 20 30 CHEDHN N#Cc1cc(C#N)cc(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240388250 1130286190 /nfs/dbraw/zinc/28/61/90/1130286190.db2.gz FVVJJEHGRPDVAG-UHFFFAOYSA-N 0 3 299.377 3.719 20 30 CHEDHN CC#Cc1cncc(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240387157 1130286537 /nfs/dbraw/zinc/28/65/37/1130286537.db2.gz OGHYJZMYPJRBLQ-UHFFFAOYSA-N 0 3 288.394 3.742 20 30 CHEDHN CCC#C[C@@H](C)N1CCC(Nc2cccc(C)c2)CC1 ZINC000677478838 1130312286 /nfs/dbraw/zinc/31/22/86/1130312286.db2.gz JLXMYRNKJNJSQO-MRXNPFEDSA-N 0 3 270.420 3.673 20 30 CHEDHN C=CCCCNCc1c(C)nn(-c2ccccc2)c1Cl ZINC000790483630 1130316017 /nfs/dbraw/zinc/31/60/17/1130316017.db2.gz JVXVESVBMWSONN-UHFFFAOYSA-N 0 3 289.810 3.890 20 30 CHEDHN C=CCN(Cc1cn2c(cccc2C)n1)C1CCCCC1 ZINC001137302859 1130317149 /nfs/dbraw/zinc/31/71/49/1130317149.db2.gz ZWAIPOBWNPZALP-UHFFFAOYSA-N 0 3 283.419 3.963 20 30 CHEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc2ccccc2c1 ZINC001255018482 1130363411 /nfs/dbraw/zinc/36/34/11/1130363411.db2.gz GBNPTYVBTKLBBI-GUYCJALGSA-N 0 3 255.361 3.691 20 30 CHEDHN CCN(CC#Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000792203423 1130436907 /nfs/dbraw/zinc/43/69/07/1130436907.db2.gz SNWPIMZXKRWTIG-UHFFFAOYSA-N 0 3 292.426 3.626 20 30 CHEDHN C=CCOCCNCc1ccc(-c2ccc(F)cc2C)o1 ZINC000679486515 1130533393 /nfs/dbraw/zinc/53/33/93/1130533393.db2.gz OWUDMJZKEYJMKD-UHFFFAOYSA-N 0 3 289.350 3.686 20 30 CHEDHN C=CCOCCN[C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000679576256 1130541017 /nfs/dbraw/zinc/54/10/17/1130541017.db2.gz LECGHNATWSQZQY-LLVKDONJSA-N 0 3 279.767 3.939 20 30 CHEDHN C#C[C@H](N[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(Cl)cc1 ZINC000811517218 1130615991 /nfs/dbraw/zinc/61/59/91/1130615991.db2.gz LIHBZIKKLJSOMZ-YESZJQIVSA-N 0 3 291.822 3.808 20 30 CHEDHN C#CCN(C)Cc1ccc(N(C)c2ccccc2OC)cc1 ZINC001234214081 1130617643 /nfs/dbraw/zinc/61/76/43/1130617643.db2.gz SWSVAVZHOSYEOZ-UHFFFAOYSA-N 0 3 294.398 3.528 20 30 CHEDHN CN1CCc2c(cccc2O[C@H](CC#N)c2ccccc2)C1 ZINC001234422725 1130642276 /nfs/dbraw/zinc/64/22/76/1130642276.db2.gz IYBOSMBMJUSMMN-GOSISDBHSA-N 0 3 292.382 3.708 20 30 CHEDHN C=CCCN(Cc1[nH]c(C)nc1C)Cc1ccccc1 ZINC001234636154 1130664899 /nfs/dbraw/zinc/66/48/99/1130664899.db2.gz UEGBELBPZQVKTH-UHFFFAOYSA-N 0 3 269.392 3.605 20 30 CHEDHN N#CCC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000781570955 1130727183 /nfs/dbraw/zinc/72/71/83/1130727183.db2.gz AFFZLBNETACKMF-UHFFFAOYSA-N 0 3 280.371 3.671 20 30 CHEDHN N#CC(C(=O)CCCC1CC1)c1nccc2ccccc21 ZINC000813089747 1130734256 /nfs/dbraw/zinc/73/42/56/1130734256.db2.gz HAEHBZUOSYNPJC-INIZCTEOSA-N 0 3 278.355 3.991 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000781752130 1130737533 /nfs/dbraw/zinc/73/75/33/1130737533.db2.gz VIFBGDJDSQIPHR-CHWSQXEVSA-N 0 3 295.386 3.576 20 30 CHEDHN CCCCCCCN(C)Cc1cncc(OC)c1C ZINC001235465711 1130746632 /nfs/dbraw/zinc/74/66/32/1130746632.db2.gz NGQHVBYGGWIXQT-UHFFFAOYSA-N 0 3 264.413 3.801 20 30 CHEDHN CN(CCC(=O)c1cccs1)Cc1ccccc1CC#N ZINC001235526097 1130753037 /nfs/dbraw/zinc/75/30/37/1130753037.db2.gz WOSJHADQDWAYOX-UHFFFAOYSA-N 0 3 298.411 3.519 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CC(C)(C)C1 ZINC000796708880 1130924957 /nfs/dbraw/zinc/92/49/57/1130924957.db2.gz VYPQNCOSXDDNNY-ZDUSSCGKSA-N 0 3 295.386 3.576 20 30 CHEDHN C[C@@H](NN=C1CC[C@@H]2CNc3cccc1c32)C(C)(C)C ZINC000814938693 1130939421 /nfs/dbraw/zinc/93/94/21/1130939421.db2.gz RWPCPTYVGMYKPZ-VXGBXAGGSA-N 0 3 271.408 3.718 20 30 CHEDHN C=CCCCCCCCNCc1cnn(C)c1Cl ZINC000815141020 1130965755 /nfs/dbraw/zinc/96/57/55/1130965755.db2.gz QJXKUDUSKBGNNY-UHFFFAOYSA-N 0 3 269.820 3.690 20 30 CHEDHN Cc1c([C@@H](C)NCC2(CC#N)CC2)cnn1-c1ccccc1 ZINC000797587615 1130996567 /nfs/dbraw/zinc/99/65/67/1130996567.db2.gz WGTYLANLUYBBCH-CQSZACIVSA-N 0 3 294.402 3.525 20 30 CHEDHN Cc1cc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)n(C)n1 ZINC000815635606 1131014215 /nfs/dbraw/zinc/01/42/15/1131014215.db2.gz GISNMKNFELGQKV-RDJZCZTQSA-N 0 3 296.418 3.814 20 30 CHEDHN C#CC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000830321421 1131028693 /nfs/dbraw/zinc/02/86/93/1131028693.db2.gz KWUYSGFRNWJYID-UHFFFAOYSA-N 0 3 284.790 3.733 20 30 CHEDHN CC1(C#N)CCN(Cc2cc(O)cc3ccccc32)CC1 ZINC001237075330 1131045954 /nfs/dbraw/zinc/04/59/54/1131045954.db2.gz ZCFLIMLXZPARNH-UHFFFAOYSA-N 0 3 280.371 3.671 20 30 CHEDHN C=CC[N@@H+](Cc1sc(=O)[n-]c1Cl)C1CCCCC1 ZINC001237153819 1131060736 /nfs/dbraw/zinc/06/07/36/1131060736.db2.gz HPFCSBAZUQUOGQ-UHFFFAOYSA-N 0 3 286.828 3.823 20 30 CHEDHN C=CC[N@H+](Cc1sc(=O)[n-]c1Cl)C1CCCCC1 ZINC001237153819 1131060742 /nfs/dbraw/zinc/06/07/42/1131060742.db2.gz HPFCSBAZUQUOGQ-UHFFFAOYSA-N 0 3 286.828 3.823 20 30 CHEDHN N#C[C@H]1CCCN(Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237547239 1131113718 /nfs/dbraw/zinc/11/37/18/1131113718.db2.gz RGMQTJSLZUELBS-INIZCTEOSA-N 0 3 291.398 3.874 20 30 CHEDHN C[C@H]1C[C@H](C)CN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237751067 1131137603 /nfs/dbraw/zinc/13/76/03/1131137603.db2.gz GADPLUWOSXPNOW-RYUDHWBXSA-N 0 3 262.784 3.690 20 30 CHEDHN C[C@@H]1C[C@H](C)CN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237751075 1131137801 /nfs/dbraw/zinc/13/78/01/1131137801.db2.gz GADPLUWOSXPNOW-TXEJJXNPSA-N 0 3 262.784 3.690 20 30 CHEDHN CCCCN(CC#N)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237887179 1131148687 /nfs/dbraw/zinc/14/86/87/1131148687.db2.gz SCWCLTINFCLSHD-UHFFFAOYSA-N 0 3 297.446 3.813 20 30 CHEDHN CCOc1cc(CN2CCC[C@H](CC#N)C2)ccc1C ZINC001238071514 1131168154 /nfs/dbraw/zinc/16/81/54/1131168154.db2.gz LTNDSPJYJYSYBV-OAHLLOKOSA-N 0 3 272.392 3.519 20 30 CHEDHN N#Cc1cc(CN2CCc3ccccc3CC2)ccc1Cl ZINC001238194919 1131178930 /nfs/dbraw/zinc/17/89/30/1131178930.db2.gz WLHOULWGOOXZRU-UHFFFAOYSA-N 0 3 296.801 3.812 20 30 CHEDHN C[C@@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)[C@@H]1C ZINC001238193649 1131179148 /nfs/dbraw/zinc/17/91/48/1131179148.db2.gz DYXMXSLUGCZWGF-VXGBXAGGSA-N 0 3 262.784 3.832 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000818347212 1131206337 /nfs/dbraw/zinc/20/63/37/1131206337.db2.gz NXWILLOJLHICRX-HUBLWGQQSA-N 0 3 295.810 3.596 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC001118400529 1131223652 /nfs/dbraw/zinc/22/36/52/1131223652.db2.gz NFGQSHVRQLLAJN-CYBMUJFWSA-N 0 3 299.805 3.575 20 30 CHEDHN C#C[C@@H](NCc1cc2cc(Cl)cnc2o1)C(C)(C)C ZINC000824401363 1131467369 /nfs/dbraw/zinc/46/73/69/1131467369.db2.gz DGYZKHOMCPBTMM-CYBMUJFWSA-N 0 3 276.767 3.619 20 30 CHEDHN C#C[C@H](N[C@H]1CCO[C@H](CC)C1)c1ccc(Cl)cc1 ZINC000824414913 1131469464 /nfs/dbraw/zinc/46/94/64/1131469464.db2.gz DQYWNBCZAKKTHH-XHSDSOJGSA-N 0 3 277.795 3.562 20 30 CHEDHN C#Cc1cccc(CNCc2cccc(OCCC)c2)c1 ZINC000825226509 1131503826 /nfs/dbraw/zinc/50/38/26/1131503826.db2.gz HNPGNPKHPMAXAU-UHFFFAOYSA-N 0 3 279.383 3.747 20 30 CHEDHN C=C(C)COc1ccccc1CN1CCC(CC#N)CC1 ZINC001138665737 1131533905 /nfs/dbraw/zinc/53/39/05/1131533905.db2.gz WCJMZYKLIFVHOU-UHFFFAOYSA-N 0 3 284.403 3.767 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@]2(CC2(F)F)C1 ZINC000844441687 1131566340 /nfs/dbraw/zinc/56/63/40/1131566340.db2.gz QXDLDNAYKYTCEC-WFASDCNBSA-N 0 3 276.330 3.740 20 30 CHEDHN N#C[C@H]1CCCN(Cc2cc3ccccc3o2)CC1 ZINC001139065437 1131578768 /nfs/dbraw/zinc/57/87/68/1131578768.db2.gz UTMSBXZUPXCRMR-ZDUSSCGKSA-N 0 3 254.333 3.558 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001139503474 1131611839 /nfs/dbraw/zinc/61/18/39/1131611839.db2.gz FLVPKPXFERYKCE-CQSZACIVSA-N 0 3 297.427 3.936 20 30 CHEDHN CCOc1ccc(C)cc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139605403 1131620674 /nfs/dbraw/zinc/62/06/74/1131620674.db2.gz YKYXGGDIKJNSSO-XGBSXSJOSA-N 0 3 284.403 3.660 20 30 CHEDHN CC1(C#N)CCN(Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001139645067 1131625741 /nfs/dbraw/zinc/62/57/41/1131625741.db2.gz CZYFMTCBQLEVHC-UHFFFAOYSA-N 0 3 291.398 3.874 20 30 CHEDHN N#Cc1cccc2c(CN3CCC4(CCC4)CC3)c[nH]c21 ZINC001139704199 1131629762 /nfs/dbraw/zinc/62/97/62/1131629762.db2.gz UKEVEJAJWYGRMF-UHFFFAOYSA-N 0 3 279.387 3.806 20 30 CHEDHN N#Cc1cccc2c(CN3CC[C@@H]4CCC[C@@H]4C3)c[nH]c21 ZINC001139704598 1131630451 /nfs/dbraw/zinc/63/04/51/1131630451.db2.gz WUUHLQVRTFEUEO-DZGCQCFKSA-N 0 3 279.387 3.662 20 30 CHEDHN Cc1ccc(CN2CC[C@@H](C)C(F)(F)CC2)cc1C#N ZINC001139722939 1131632485 /nfs/dbraw/zinc/63/24/85/1131632485.db2.gz LNHVGMDEHPUGLD-CYBMUJFWSA-N 0 3 278.346 3.734 20 30 CHEDHN CCCCCCCCN(C)Cc1cnc2c(c1)OCCO2 ZINC001139734106 1131633137 /nfs/dbraw/zinc/63/31/37/1131633137.db2.gz JWURXJGMWINAAN-UHFFFAOYSA-N 0 3 292.423 3.645 20 30 CHEDHN C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1[O-] ZINC001171183023 1131635799 /nfs/dbraw/zinc/63/57/99/1131635799.db2.gz AJCTWEXZUOSXTI-ZIAGYGMSSA-N 0 3 280.371 3.546 20 30 CHEDHN Cc1ccc(C)c(CN(CCC#N)C2CCCC2)c1O ZINC001140179682 1131673212 /nfs/dbraw/zinc/67/32/12/1131673212.db2.gz LRRDZJKNAQWMJL-UHFFFAOYSA-N 0 3 272.392 3.667 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846108852 1131686109 /nfs/dbraw/zinc/68/61/09/1131686109.db2.gz RWSPHSIPBLYTHJ-MRXNPFEDSA-N 0 3 293.357 3.873 20 30 CHEDHN N#Cc1ccc2c(c1)CN(Cc1cccc3cc[nH]c31)CC2 ZINC001144711012 1131686341 /nfs/dbraw/zinc/68/63/41/1131686341.db2.gz SGUZDLDOSUGAGV-UHFFFAOYSA-N 0 3 287.366 3.598 20 30 CHEDHN CCc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000846100901 1131689367 /nfs/dbraw/zinc/68/93/67/1131689367.db2.gz VORFAYHPEJGIRR-HNNXBMFYSA-N 0 3 294.398 3.830 20 30 CHEDHN C#CCCCCN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000846154119 1131692196 /nfs/dbraw/zinc/69/21/96/1131692196.db2.gz NZPLJNCNHYTMKD-LJQANCHMSA-N 0 3 294.398 3.573 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cccc(-c3nccs3)c2)C1 ZINC001140337293 1131702013 /nfs/dbraw/zinc/70/20/13/1131702013.db2.gz JLEAZUCFJUTMGY-AWEZNQCLSA-N 0 3 282.412 3.655 20 30 CHEDHN C=CC[C@@H](CC)N[C@@H](C)c1nc(Br)cs1 ZINC000834790647 1131705212 /nfs/dbraw/zinc/70/52/12/1131705212.db2.gz UDNQYXQRQAVYPK-DTWKUNHWSA-N 0 3 289.242 3.911 20 30 CHEDHN C=CCCCCN(C)Cc1ccnn1-c1ccccc1 ZINC001140531946 1131780094 /nfs/dbraw/zinc/78/00/94/1131780094.db2.gz YBDLOICZGIVINQ-UHFFFAOYSA-N 0 3 269.392 3.660 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)nc1)[C@@H](C)c1ccccc1 ZINC001140547590 1131787760 /nfs/dbraw/zinc/78/77/60/1131787760.db2.gz VHQRGBHGDLGTQZ-HNNXBMFYSA-N 0 3 279.387 3.925 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000772987309 1131846061 /nfs/dbraw/zinc/84/60/61/1131846061.db2.gz IFQJRLIRLATKFT-YWZLYKJASA-N 0 3 291.394 3.722 20 30 CHEDHN C#CCOc1ccccc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000772987300 1131846303 /nfs/dbraw/zinc/84/63/03/1131846303.db2.gz IFQJRLIRLATKFT-FOIQADDNSA-N 0 3 291.394 3.722 20 30 CHEDHN C#CCOc1ccccc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000772987306 1131846376 /nfs/dbraw/zinc/84/63/76/1131846376.db2.gz IFQJRLIRLATKFT-QRWLVFNGSA-N 0 3 291.394 3.722 20 30 CHEDHN COc1ccc(CN[C@@H](C)c2sccc2C)cc1C#N ZINC000773084615 1131940379 /nfs/dbraw/zinc/94/03/79/1131940379.db2.gz UZACHPCYXQDRFF-LBPRGKRZSA-N 0 3 286.400 3.788 20 30 CHEDHN CC(=NN[C@H]1CCCCC1(C)C)c1ccc(N)cc1C ZINC000773125034 1131952340 /nfs/dbraw/zinc/95/23/40/1131952340.db2.gz LUYXGAIBWFVGMW-INIZCTEOSA-N 0 3 273.424 3.860 20 30 CHEDHN C#C[C@@H](CCCCC)Oc1ccc2c(c1)CCN(C)C2 ZINC001228936817 1131981256 /nfs/dbraw/zinc/98/12/56/1131981256.db2.gz NTIQJPYLTDMUAS-KRWDZBQOSA-N 0 3 271.404 3.635 20 30 CHEDHN CN1CCc2cc(O[C@H](CC#N)c3ccccc3)ccc2C1 ZINC001228944046 1131984165 /nfs/dbraw/zinc/98/41/65/1131984165.db2.gz KGOGGMBCSQOWCE-LJQANCHMSA-N 0 3 292.382 3.708 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1cnccc1C ZINC001141035071 1131990306 /nfs/dbraw/zinc/99/03/06/1131990306.db2.gz CDOYCGSTCDUBQU-UHFFFAOYSA-N 0 3 266.388 3.968 20 30 CHEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171434914 1132013207 /nfs/dbraw/zinc/01/32/07/1132013207.db2.gz VESLZWWMJKCBHF-MRXNPFEDSA-N 0 3 286.394 3.841 20 30 CHEDHN C[C@@H]1CCCN(Cc2sc(N)c(C#N)c2Cl)C[C@H]1C ZINC001141106720 1132020361 /nfs/dbraw/zinc/02/03/61/1132020361.db2.gz GFPDBEPYNOBRQC-NXEZZACHSA-N 0 3 297.855 3.723 20 30 CHEDHN N#Cc1c(N)sc(CN2CCC[C@@H]3CCC[C@@H]32)c1Cl ZINC001141114054 1132021339 /nfs/dbraw/zinc/02/13/39/1132021339.db2.gz BYICMCJOYXSFGA-ONGXEEELSA-N 0 3 295.839 3.620 20 30 CHEDHN C=CC[C@@H](CCC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229302038 1132049893 /nfs/dbraw/zinc/04/98/93/1132049893.db2.gz FNAAUHCEOBAOLZ-INIZCTEOSA-N 0 3 289.419 3.945 20 30 CHEDHN C[C@]1(c2cccc(F)c2)CCN(Cc2ccc(C#N)cc2)C1 ZINC001171771602 1132092910 /nfs/dbraw/zinc/09/29/10/1132092910.db2.gz HIUVEZHSPJYOLP-IBGZPJMESA-N 0 3 294.373 3.861 20 30 CHEDHN C#C[C@@H](Oc1ccccc1CN(C)C)c1ccccc1 ZINC001229699165 1132107495 /nfs/dbraw/zinc/10/74/95/1132107495.db2.gz JXARECMRPKELNF-QGZVFWFLSA-N 0 3 265.356 3.502 20 30 CHEDHN C[C@H](Cc1ccc(C#N)cc1)N(CCC#N)C1CCCC1 ZINC001172308826 1132153710 /nfs/dbraw/zinc/15/37/10/1132153710.db2.gz ZZKGTRIKAWBUNX-OAHLLOKOSA-N 0 3 281.403 3.648 20 30 CHEDHN CCN1CCC[C@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230637675 1132202036 /nfs/dbraw/zinc/20/20/36/1132202036.db2.gz ZJWYFRJPOQYVPQ-HNNXBMFYSA-N 0 3 286.419 3.719 20 30 CHEDHN N#CC1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001141734872 1132244288 /nfs/dbraw/zinc/24/42/88/1132244288.db2.gz MGQSQFWUJDAZRQ-UHFFFAOYSA-N 0 3 288.394 3.993 20 30 CHEDHN C[C@@H](CCCC#N)N1CCc2cc(Cl)ccc2C1 ZINC001172500010 1132249985 /nfs/dbraw/zinc/24/99/85/1132249985.db2.gz IECDTMHIEJYLEM-LBPRGKRZSA-N 0 3 262.784 3.780 20 30 CHEDHN CCCCCCC[C@@H](CCC)NCc1nonc1C ZINC001172503113 1132250989 /nfs/dbraw/zinc/25/09/89/1132250989.db2.gz VZLUXSFFHXREPH-CQSZACIVSA-N 0 3 267.417 3.997 20 30 CHEDHN CCCCCCCC[C@H](CC)N1CCC12COC2 ZINC001172503784 1132252411 /nfs/dbraw/zinc/25/24/11/1132252411.db2.gz AXJNDVJUVVCDPH-HNNXBMFYSA-N 0 3 253.430 3.990 20 30 CHEDHN N#C[C@@H]1CCCN([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172552417 1132263726 /nfs/dbraw/zinc/26/37/26/1132263726.db2.gz LIDZTBJUMRFHBY-CGTJXYLNSA-N 0 3 268.404 3.948 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2ccc(OC)cc2C)c1 ZINC000840756736 1132282341 /nfs/dbraw/zinc/28/23/41/1132282341.db2.gz DVYREMOFSPRVHK-OAHLLOKOSA-N 0 3 279.383 3.836 20 30 CHEDHN Cc1ccc2c(c1)C[C@@H](NCC1(C#N)CCCC1)CC2 ZINC001172824389 1132321613 /nfs/dbraw/zinc/32/16/13/1132321613.db2.gz WIXCXMWBYRIPKE-KRWDZBQOSA-N 0 3 268.404 3.526 20 30 CHEDHN C#C[C@H]1CCCN([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172867846 1132331484 /nfs/dbraw/zinc/33/14/84/1132331484.db2.gz AONXIGWIDXPCIJ-OLZOCXBDSA-N 0 3 279.786 3.755 20 30 CHEDHN C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000841762121 1132397230 /nfs/dbraw/zinc/39/72/30/1132397230.db2.gz LYQQQNUHPKZALO-ACJLOTCBSA-N 0 3 292.382 3.992 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cc1Cl ZINC001232115128 1132423397 /nfs/dbraw/zinc/42/33/97/1132423397.db2.gz FDYMPZIWWHHYIR-BBRMVZONSA-N 0 3 274.795 3.976 20 30 CHEDHN C[C@]1(F)CCCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232111678 1132423975 /nfs/dbraw/zinc/42/39/75/1132423975.db2.gz JKOBBPNZCJZWDS-HNNXBMFYSA-N 0 3 280.774 3.926 20 30 CHEDHN C[C@@H]1CCCCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232119522 1132425781 /nfs/dbraw/zinc/42/57/81/1132425781.db2.gz FLEISJMZOOSEQQ-GFCCVEGCSA-N 0 3 262.784 3.976 20 30 CHEDHN C=CCN(Cc1cnc(-c2cccnc2)o1)C(C)(C)C ZINC001232134369 1132426289 /nfs/dbraw/zinc/42/62/89/1132426289.db2.gz CNPSSULKUBFOBS-UHFFFAOYSA-N 0 3 271.364 3.523 20 30 CHEDHN C=CC[C@H](C)NCc1cc(Br)cnc1Cl ZINC000842682932 1132450807 /nfs/dbraw/zinc/45/08/07/1132450807.db2.gz CZMRMIGFFQMDIO-QMMMGPOBSA-N 0 3 289.604 3.552 20 30 CHEDHN N#CCC1CCC(NCC(=O)c2ccc(Cl)cc2)CC1 ZINC001173325474 1132461659 /nfs/dbraw/zinc/46/16/59/1132461659.db2.gz JOJZLFWYIHARDD-UHFFFAOYSA-N 0 3 290.794 3.585 20 30 CHEDHN CCCCCCCCN(C)Cc1[nH]nc2c1CCC2 ZINC001232425676 1132469637 /nfs/dbraw/zinc/46/96/37/1132469637.db2.gz CRZFYXDVSWZCHN-UHFFFAOYSA-N 0 3 263.429 3.691 20 30 CHEDHN N#Cc1ccnc(CN2CCC[C@H](c3ccccc3)CC2)c1 ZINC001232479141 1132476246 /nfs/dbraw/zinc/47/62/46/1132476246.db2.gz NCPJEDXWEAJHNS-SFHVURJKSA-N 0 3 291.398 3.723 20 30 CHEDHN N#Cc1ccc2c(CN3CCC[C@H]4CCC[C@@H]43)c[nH]c2c1 ZINC001142922767 1132478666 /nfs/dbraw/zinc/47/86/66/1132478666.db2.gz URQYTKZIMFKQES-KDOFPFPSSA-N 0 3 279.387 3.804 20 30 CHEDHN Cc1cc([C@H]2CCCN2C2CCC(C)(C#N)CC2)no1 ZINC001173591978 1132496800 /nfs/dbraw/zinc/49/68/00/1132496800.db2.gz AYRDAMCCHPKHPE-OGVSOVDVSA-N 0 3 273.380 3.592 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2cnc(C(C)C)s2)C1 ZINC000843423307 1132531458 /nfs/dbraw/zinc/53/14/58/1132531458.db2.gz CAEQESXYLAGLIY-ZDUSSCGKSA-N 0 3 262.422 3.502 20 30 CHEDHN C[C@H]1CC[C@H](N(C)Cc2cc(F)ccc2C#N)CC1 ZINC001232892809 1132538737 /nfs/dbraw/zinc/53/87/37/1132538737.db2.gz XQDGRYHPLTVIIG-YGUOUDRMSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCCCCN(C)Cc1cnc2cccc(Cl)n12 ZINC001233359766 1132609835 /nfs/dbraw/zinc/60/98/35/1132609835.db2.gz LDAMXOGFZRASPR-UHFFFAOYSA-N 0 3 277.799 3.776 20 30 CHEDHN CN(C)Cc1ccccc1Nc1onc(C(C)(C)C)c1C#N ZINC001173930026 1132643066 /nfs/dbraw/zinc/64/30/66/1132643066.db2.gz MEJCFDQNZHNMED-UHFFFAOYSA-N 0 3 298.390 3.649 20 30 CHEDHN CN(C)Cc1ccccc1Nc1ccc(C(C)(C)C#N)nc1 ZINC001173928794 1132643135 /nfs/dbraw/zinc/64/31/35/1132643135.db2.gz DXMBOQBBBSEVNV-UHFFFAOYSA-N 0 3 294.402 3.688 20 30 CHEDHN Cc1cc(C#N)c(Nc2ccccc2CN(C)C)s1 ZINC001173929584 1132643285 /nfs/dbraw/zinc/64/32/85/1132643285.db2.gz SWYZCNZPTGHOJQ-UHFFFAOYSA-N 0 3 271.389 3.733 20 30 CHEDHN C=CCC[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC001203556716 1133339120 /nfs/dbraw/zinc/33/91/20/1133339120.db2.gz VBCDZLBRALOYDF-UHFFFAOYSA-N 0 3 267.372 3.971 20 30 CHEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC001203556716 1133339125 /nfs/dbraw/zinc/33/91/25/1133339125.db2.gz VBCDZLBRALOYDF-UHFFFAOYSA-N 0 3 267.372 3.971 20 30 CHEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(F)cc2C)cc1 ZINC001203603530 1133343793 /nfs/dbraw/zinc/34/37/93/1133343793.db2.gz SHGFIDCXSVQSOQ-AWEZNQCLSA-N 0 3 267.347 3.966 20 30 CHEDHN CN1CCc2ccc(Nc3cc(F)c(C#N)c(F)c3)cc2C1 ZINC001203680977 1133353011 /nfs/dbraw/zinc/35/30/11/1133353011.db2.gz OVHKTPTTZRVXLJ-UHFFFAOYSA-N 0 3 299.324 3.568 20 30 CHEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3ccsc3)C2)cc1 ZINC001204046434 1133404337 /nfs/dbraw/zinc/40/43/37/1133404337.db2.gz YLEHDRKCJSAKCN-KRWDZBQOSA-N 0 3 298.411 3.663 20 30 CHEDHN CN(Cc1cn(C)c2ccccc12)Cc1cccc(C#N)c1 ZINC001204319416 1133436653 /nfs/dbraw/zinc/43/66/53/1133436653.db2.gz SWWYALDQFYXXON-UHFFFAOYSA-N 0 3 289.382 3.682 20 30 CHEDHN C=CCCCCCN(C)Cc1cnn(C2CCC2)c1 ZINC001204769824 1133482752 /nfs/dbraw/zinc/48/27/52/1133482752.db2.gz WUUSZXCONMCVRO-UHFFFAOYSA-N 0 3 261.413 3.786 20 30 CHEDHN CCN(C[C@@H](C)C#N)CC1CCC(C(C)C)CC1 ZINC001204827342 1133490129 /nfs/dbraw/zinc/49/01/29/1133490129.db2.gz TZLAXTQBLPCZRX-FHERZECASA-N 0 3 250.430 3.930 20 30 CHEDHN C#Cc1ccc(CN2CCc3c(C)cc(C)cc3C2)cc1 ZINC001205447011 1133578082 /nfs/dbraw/zinc/57/80/82/1133578082.db2.gz XNNUOQZKZLKAJM-UHFFFAOYSA-N 0 3 275.395 3.843 20 30 CHEDHN C#C[C@H](NCCCC)c1ccc(Br)cc1 ZINC001205990857 1133637724 /nfs/dbraw/zinc/63/77/24/1133637724.db2.gz WJXPUKDUACSPTI-ZDUSSCGKSA-N 0 3 266.182 3.513 20 30 CHEDHN N#Cc1cc(CN2CCC[C@H](C3CCC3)C2)cs1 ZINC001206715826 1133735854 /nfs/dbraw/zinc/73/58/54/1133735854.db2.gz YJTSBBXWDZIWLF-AWEZNQCLSA-N 0 3 260.406 3.632 20 30 CHEDHN Cc1ccnc(CN2CCC(C#Cc3ccccc3)CC2)c1 ZINC001206854439 1133757385 /nfs/dbraw/zinc/75/73/85/1133757385.db2.gz ZILVWHFLKJQBKC-UHFFFAOYSA-N 0 3 290.410 3.654 20 30 CHEDHN CCN(CCC#N)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207406805 1133797465 /nfs/dbraw/zinc/79/74/65/1133797465.db2.gz KGLKZVJFZVLSMI-QGZVFWFLSA-N 0 3 292.467 3.890 20 30 CHEDHN COc1cccc(CCCN(CCC#N)C2CCCC2)c1 ZINC001207568428 1133819878 /nfs/dbraw/zinc/81/98/78/1133819878.db2.gz KGHFUWZKHQRWOF-UHFFFAOYSA-N 0 3 286.419 3.786 20 30 CHEDHN C=CCCCCCCCCCN1CCN2C(=O)CC[C@@H]2C1 ZINC001207899055 1133859385 /nfs/dbraw/zinc/85/93/85/1133859385.db2.gz KMHDUZSQOFPLGI-QGZVFWFLSA-N 0 3 292.467 3.600 20 30 CHEDHN C[C@H](CN(CCC#N)C1CCCC1)c1ccccc1 ZINC001207904784 1133859449 /nfs/dbraw/zinc/85/94/49/1133859449.db2.gz GJUZMAGINPBHNJ-OAHLLOKOSA-N 0 3 256.393 3.948 20 30 CHEDHN C=CCCCCCCCCCN1CCO[C@]2(CCOC2)C1 ZINC001207899322 1133860193 /nfs/dbraw/zinc/86/01/93/1133860193.db2.gz VEZDSBVEJJKQAN-GOSISDBHSA-N 0 3 295.467 3.785 20 30 CHEDHN CCCCCCC/C=C/CN1CCC[C@@H](n2cncn2)C1 ZINC001208118435 1133878364 /nfs/dbraw/zinc/87/83/64/1133878364.db2.gz HACQCLNAGLFGJP-KBOKABMXSA-N 0 3 290.455 3.832 20 30 CHEDHN C=CCCCCCN1CCN(c2noc3ccccc32)CC1 ZINC001209423765 1134014932 /nfs/dbraw/zinc/01/49/32/1134014932.db2.gz YOKMDJWNACDXGG-UHFFFAOYSA-N 0 3 299.418 3.696 20 30 CHEDHN Cc1cccc2c(CN3CCC(C)(C#N)CC3)c[nH]c21 ZINC001209487454 1134028363 /nfs/dbraw/zinc/02/83/63/1134028363.db2.gz MJXHAJFHMRPAAM-UHFFFAOYSA-N 0 3 267.376 3.602 20 30 CHEDHN Cc1c(C#N)cccc1Nc1ccccc1CN(C)C ZINC001216177009 1134796551 /nfs/dbraw/zinc/79/65/51/1134796551.db2.gz SRKYRHZNMDJHLW-UHFFFAOYSA-N 0 3 265.360 3.672 20 30 CHEDHN CCCCCCCCCCO[C@H]1CCNC[C@@H]1F ZINC001217794355 1135002339 /nfs/dbraw/zinc/00/23/39/1135002339.db2.gz LLVKLZJCSJDHCP-GJZGRUSLSA-N 0 3 259.409 3.844 20 30 CHEDHN CCCCCCCC[C@H](CC)OC[C@@H]1CNCCO1 ZINC001217897173 1135020111 /nfs/dbraw/zinc/02/01/11/1135020111.db2.gz NQQLCPGDMJLTAA-HOTGVXAUSA-N 0 3 271.445 3.521 20 30 CHEDHN C=CC[C@H](OC[C@@H]1COC(C)(C)N1)c1ccc(Cl)cc1 ZINC001217930786 1135025866 /nfs/dbraw/zinc/02/58/66/1135025866.db2.gz MOGPCCHPTLYXQD-CABCVRRESA-N 0 3 295.810 3.698 20 30 CHEDHN C=CCOc1ccccc1CO[C@@H]1CNCc2ccccc21 ZINC001217938378 1135027178 /nfs/dbraw/zinc/02/71/78/1135027178.db2.gz NLWHNJINXJPGGE-LJQANCHMSA-N 0 3 295.382 3.613 20 30 CHEDHN C=C[C@@H](O[C@@H]1CNCc2ccccc21)c1ccccc1 ZINC001217940136 1135028503 /nfs/dbraw/zinc/02/85/03/1135028503.db2.gz AXJAZQSSGIJHIQ-QZTJIDSGSA-N 0 3 265.356 3.775 20 30 CHEDHN C=CCCCCCCNCc1c(Cl)c(C)nn1C ZINC000310651707 1135127221 /nfs/dbraw/zinc/12/72/21/1135127221.db2.gz YDRBRFKRXWKGKC-UHFFFAOYSA-N 0 3 269.820 3.608 20 30 CHEDHN C=CCCCCCC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000310908734 1135128387 /nfs/dbraw/zinc/12/83/87/1135128387.db2.gz GQCAMIRJIIDOKV-UHFFFAOYSA-N 0 3 251.345 3.757 20 30 CHEDHN Cc1cc(C#N)cc(C)c1-c1ccc2c(N)ccnc2c1 ZINC001222667032 1135261967 /nfs/dbraw/zinc/26/19/67/1135261967.db2.gz ROSZGQLKMRJEDY-UHFFFAOYSA-N 0 3 273.339 3.973 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000090450943 260359508 /nfs/dbraw/zinc/35/95/08/260359508.db2.gz YIFMODPPXOKXDK-OAHLLOKOSA-N 0 3 277.408 3.717 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000122886101 187057448 /nfs/dbraw/zinc/05/74/48/187057448.db2.gz MNXZGNCHIYFRGF-CQSZACIVSA-N 0 3 250.345 3.751 20 30 CHEDHN CN(CC#Cc1ccc(F)cc1)C1CCCCCC1 ZINC000448379476 261135505 /nfs/dbraw/zinc/13/55/05/261135505.db2.gz YGZYSKOMLLNGLV-UHFFFAOYSA-N 0 3 259.368 3.832 20 30 CHEDHN COC[C@@H](N[C@@H](C)c1ccc(C#N)cc1Cl)C(C)C ZINC000574353427 335013210 /nfs/dbraw/zinc/01/32/10/335013210.db2.gz IOSSSMJYSPIPFM-XHDPSFHLSA-N 0 3 280.799 3.533 20 30 CHEDHN Cc1[nH]c2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cc2c1C ZINC000336170481 533622114 /nfs/dbraw/zinc/62/21/14/533622114.db2.gz GWDYGLUNWMBJNK-UKRRQHHQSA-N 0 3 267.376 3.567 20 30 CHEDHN C=CCSc1nc2ccccc2n1CN1CCCCC1 ZINC000006855287 170249785 /nfs/dbraw/zinc/24/97/85/170249785.db2.gz OWRHRLSWOPMRTP-UHFFFAOYSA-N 0 3 287.432 3.758 20 30 CHEDHN CN(Cc1cc(C#N)ccc1F)C1CCCCCC1 ZINC000035175702 172028292 /nfs/dbraw/zinc/02/82/92/172028292.db2.gz MQKQUUIJSBVPMF-UHFFFAOYSA-N 0 3 260.356 3.852 20 30 CHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000037185918 173017376 /nfs/dbraw/zinc/01/73/76/173017376.db2.gz YJVGSOKUGMJXSW-ZIAGYGMSSA-N 0 3 250.345 3.970 20 30 CHEDHN CC(C#N)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000335002090 225392153 /nfs/dbraw/zinc/39/21/53/225392153.db2.gz HMORJVCDOFBHGV-RKDXNWHRSA-N 0 3 297.185 3.599 20 30 CHEDHN C[C@]12CCN(CCC3(C#N)CCCCC3)C[C@H]1C2(F)F ZINC000334829765 225325157 /nfs/dbraw/zinc/32/51/57/225325157.db2.gz RZWSCVISBWKJRW-KGLIPLIRSA-N 0 3 282.378 3.828 20 30 CHEDHN Cc1cccc(Oc2ccccc2CNC(=O)C(C)C#N)c1 ZINC000347144582 226059481 /nfs/dbraw/zinc/05/94/81/226059481.db2.gz XSEDXYKWFSKLAH-AWEZNQCLSA-N 0 3 294.354 3.563 20 30 CHEDHN Cc1cc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1C#N ZINC000347218029 226089963 /nfs/dbraw/zinc/08/99/63/226089963.db2.gz HPIAXWPTXIBXBQ-IFXJQAMLSA-N 0 3 291.398 3.845 20 30 CHEDHN O=C(Nc1ccc2c[nH]nc2c1)[C@@H]1CCCN1C1CCCC1 ZINC000330129674 228045327 /nfs/dbraw/zinc/04/53/27/228045327.db2.gz KDNCGAGRHVYXFU-INIZCTEOSA-N 0 3 298.390 3.558 20 30 CHEDHN Cc1ccccc1[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000353125400 228062017 /nfs/dbraw/zinc/06/20/17/228062017.db2.gz BBDOCEHHMSFCQY-HNNXBMFYSA-N 0 3 282.412 3.918 20 30 CHEDHN CC(C#N)C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000335987670 228175223 /nfs/dbraw/zinc/17/52/23/228175223.db2.gz QDUGZINOSYMBNE-CFYKVZDHSA-N 0 3 288.416 3.692 20 30 CHEDHN N#C[C@H]1CC[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000336170630 228202841 /nfs/dbraw/zinc/20/28/41/228202841.db2.gz TYWFHMLYJAXFKC-AMZBTWFVSA-N 0 3 292.785 3.949 20 30 CHEDHN C[C@H]1Oc2cc(F)ccc2[C@H]1NC1CCC(C)(C#N)CC1 ZINC000336219287 228215850 /nfs/dbraw/zinc/21/58/50/228215850.db2.gz KNNGZLKGZMFKHI-OWWUSRRYSA-N 0 3 288.366 3.710 20 30 CHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000037748681 260116059 /nfs/dbraw/zinc/11/60/59/260116059.db2.gz MSDXJFJFLUYDDK-QGZVFWFLSA-N 0 3 268.335 3.938 20 30 CHEDHN C=C(C)COc1cccc(NC2CCN(C3CC3)CC2)c1 ZINC000298218567 260147429 /nfs/dbraw/zinc/14/74/29/260147429.db2.gz AEQZBWLQQYZTSY-UHFFFAOYSA-N 0 3 286.419 3.680 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079720626 260176932 /nfs/dbraw/zinc/17/69/32/260176932.db2.gz IIBYVIJKXSYFDR-KRWDZBQOSA-N 0 3 295.342 3.707 20 30 CHEDHN N#CC(C(=O)CCC1CCCCC1)c1ccccn1 ZINC000072590903 260277226 /nfs/dbraw/zinc/27/72/26/260277226.db2.gz KGBURXYWIMSICU-CQSZACIVSA-N 0 3 256.349 3.618 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@H](C)c1nnc(C(C)C)[n-]1 ZINC000449207926 260294899 /nfs/dbraw/zinc/29/48/99/260294899.db2.gz RTPZGCTVTIMCMG-CHWSQXEVSA-N 0 3 264.417 3.714 20 30 CHEDHN C=CCCCC[C@@H](C)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000449207926 260294901 /nfs/dbraw/zinc/29/49/01/260294901.db2.gz RTPZGCTVTIMCMG-CHWSQXEVSA-N 0 3 264.417 3.714 20 30 CHEDHN C=C(C)COCCN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000090450700 260359045 /nfs/dbraw/zinc/35/90/45/260359045.db2.gz KENRDEHYBQRYAX-INIZCTEOSA-N 0 3 292.379 3.618 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cc(C)sc1C ZINC000090450760 260359073 /nfs/dbraw/zinc/35/90/73/260359073.db2.gz NVRTXKPTRLEJEQ-GFCCVEGCSA-N 0 3 253.411 3.608 20 30 CHEDHN CCC1(CC)CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000130487345 260396763 /nfs/dbraw/zinc/39/67/63/260396763.db2.gz XJDASRQLLOHJDA-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN C=CCCCN(C)Cc1cc(OC)c(OC)cc1SC ZINC000152642975 260661733 /nfs/dbraw/zinc/66/17/33/260661733.db2.gz JPMFMMXXXKNNBG-UHFFFAOYSA-N 0 3 295.448 3.824 20 30 CHEDHN CC(C)(C)c1nc(CCNCc2cccc(C#N)c2)cs1 ZINC000153677116 261081740 /nfs/dbraw/zinc/08/17/40/261081740.db2.gz ZFAUVFBENATPKB-UHFFFAOYSA-N 0 3 299.443 3.645 20 30 CHEDHN CN(Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000154473044 261092203 /nfs/dbraw/zinc/09/22/03/261092203.db2.gz ZJZWURLTIBBTTF-UHFFFAOYSA-N 0 3 293.414 3.668 20 30 CHEDHN C=CCSCCN[C@H](C)c1ccc(F)cc1F ZINC000180459258 261424627 /nfs/dbraw/zinc/42/46/27/261424627.db2.gz HGENRCUXBCFECI-SNVBAGLBSA-N 0 3 257.349 3.535 20 30 CHEDHN CC[C@@H](CC#N)NC[C@@H](C)c1cccc(Br)c1 ZINC000184085494 262007970 /nfs/dbraw/zinc/00/79/70/262007970.db2.gz QSNJBBVNDCGBTD-RISCZKNCSA-N 0 3 295.224 3.834 20 30 CHEDHN CCc1nc([C@H](C)NCCCC(C)(C)C#N)cs1 ZINC000184677540 262025778 /nfs/dbraw/zinc/02/57/78/262025778.db2.gz URFXNEVSVGKUKJ-NSHDSACASA-N 0 3 265.426 3.686 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Br)cc2)C1 ZINC000185799779 262072147 /nfs/dbraw/zinc/07/21/47/262072147.db2.gz LOBDTWMQQPJCTK-GXTWGEPZSA-N 0 3 293.208 3.621 20 30 CHEDHN CC(C)(CCC#N)CNCc1ccc(Cl)cc1F ZINC000189191362 262169243 /nfs/dbraw/zinc/16/92/43/262169243.db2.gz IMJAKQBMXZJFQZ-UHFFFAOYSA-N 0 3 268.763 3.899 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000192623209 262206501 /nfs/dbraw/zinc/20/65/01/262206501.db2.gz QAFMPXGXIVULGT-OCCSQVGLSA-N 0 3 282.309 3.877 20 30 CHEDHN Cc1c(Cl)cccc1C(=O)C(C#N)c1ccccn1 ZINC000195206758 262248248 /nfs/dbraw/zinc/24/82/48/262248248.db2.gz OXRRUQUPCIUPEG-LBPRGKRZSA-N 0 3 270.719 3.534 20 30 CHEDHN CC(C)(C#N)CCCCN1CCN(Cc2ccccc2)CC1 ZINC000390794465 262346492 /nfs/dbraw/zinc/34/64/92/262346492.db2.gz ICJROSDJLRWJRW-UHFFFAOYSA-N 0 3 299.462 3.524 20 30 CHEDHN C=CC[C@@H](C)N[C@H](C)c1ncc(Br)cc1F ZINC000187345551 262399397 /nfs/dbraw/zinc/39/93/97/262399397.db2.gz VYNGVCGHLPJEFC-RKDXNWHRSA-N 0 3 287.176 3.598 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CCCC3)CC2)cc1 ZINC000062953855 262435973 /nfs/dbraw/zinc/43/59/73/262435973.db2.gz XHHVRSGHDCXGDV-UHFFFAOYSA-N 0 3 254.377 3.714 20 30 CHEDHN Cc1ccc(OCCCN2CCC(C)(C#N)CC2)cc1C ZINC000272558518 263006746 /nfs/dbraw/zinc/00/67/46/263006746.db2.gz LNDJPEITBYGURU-UHFFFAOYSA-N 0 3 286.419 3.698 20 30 CHEDHN Cc1ccc(OC(F)F)c([C@@H](C)NCCCC#N)c1 ZINC000273170020 263013533 /nfs/dbraw/zinc/01/35/33/263013533.db2.gz BPQSJEMHYPWGLL-LLVKDONJSA-N 0 3 268.307 3.551 20 30 CHEDHN Cc1c([C@@H](C)NCCCC#N)cnn1-c1cc(C)ccc1C ZINC000273293223 263014888 /nfs/dbraw/zinc/01/48/88/263014888.db2.gz SQQVTWZPINTBCX-OAHLLOKOSA-N 0 3 296.418 3.752 20 30 CHEDHN Cc1nc(Cc2ccccc2)sc1[C@H](C)NCCCC#N ZINC000273320734 263015410 /nfs/dbraw/zinc/01/54/10/263015410.db2.gz ZEAYPYDSKOECPM-ZDUSSCGKSA-N 0 3 299.443 3.997 20 30 CHEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000274560244 263026226 /nfs/dbraw/zinc/02/62/26/263026226.db2.gz YJYQBQISNVVWAL-GMXABZIVSA-N 0 3 264.319 3.698 20 30 CHEDHN Cc1cc([C@H](N[C@@H]2CC[C@@H](C#N)C2)C2CC2)ccc1F ZINC000274594055 263027292 /nfs/dbraw/zinc/02/72/92/263027292.db2.gz FXIAYCNWFNNVQH-SRCQZFHVSA-N 0 3 272.367 3.867 20 30 CHEDHN CN(CCC(C)(C)C#N)CC1(c2ccccc2)CC1 ZINC000275473811 263033308 /nfs/dbraw/zinc/03/33/08/263033308.db2.gz PGCUOQVCJYTPCU-UHFFFAOYSA-N 0 3 256.393 3.590 20 30 CHEDHN CC[C@H](N[C@H](C)CCC#N)c1cc(F)ccc1F ZINC000276273842 263035790 /nfs/dbraw/zinc/03/57/90/263035790.db2.gz DMABNQOASYEDOJ-YGRLFVJLSA-N 0 3 252.308 3.698 20 30 CHEDHN COC1(C[C@@H](C)N[C@@H](CCC#N)c2ccccc2)CCC1 ZINC000277176557 263040002 /nfs/dbraw/zinc/04/00/02/263040002.db2.gz SOGFXFMZKCBXBA-WBVHZDCISA-N 0 3 286.419 3.969 20 30 CHEDHN CN(Cc1ccccc1C(F)(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000278564438 263048961 /nfs/dbraw/zinc/04/89/61/263048961.db2.gz ISHQVBDDOXBNSH-AAEUAGOBSA-N 0 3 282.309 3.829 20 30 CHEDHN CCN(Cc1ccc(Cl)s1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278578707 263049178 /nfs/dbraw/zinc/04/91/78/263049178.db2.gz JWSWCJCPMQYSFN-GHMZBOCLSA-N 0 3 268.813 3.916 20 30 CHEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281102251 263066610 /nfs/dbraw/zinc/06/66/10/263066610.db2.gz AMZXCALENONYJX-FZMZJTMJSA-N 0 3 284.325 3.918 20 30 CHEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000281146774 263066889 /nfs/dbraw/zinc/06/68/89/263066889.db2.gz BCZYUYNNUAJLJJ-AEFFLSMTSA-N 0 3 298.430 3.780 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(N2CCCC2)c1 ZINC000282161469 263074686 /nfs/dbraw/zinc/07/46/86/263074686.db2.gz DJTBTPGMFXROLL-ZMSDIMECSA-N 0 3 283.419 3.630 20 30 CHEDHN CSCc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000285567763 263094299 /nfs/dbraw/zinc/09/42/99/263094299.db2.gz GKGNGEVDQUUALX-HZPDHXFCSA-N 0 3 274.433 3.722 20 30 CHEDHN CC(C)CCN(CCC#N)C[C@@H]1CCC(F)(F)C1 ZINC000340290009 263105023 /nfs/dbraw/zinc/10/50/23/263105023.db2.gz MJZVMAHBKIPLCM-CYBMUJFWSA-N 0 3 258.356 3.684 20 30 CHEDHN COC[C@@H](NCCCC(C)(C)C#N)c1cccc(Cl)c1 ZINC000288779961 263105938 /nfs/dbraw/zinc/10/59/38/263105938.db2.gz KILYDEIXNCPULJ-OAHLLOKOSA-N 0 3 294.826 3.947 20 30 CHEDHN CN(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000293347765 263139398 /nfs/dbraw/zinc/13/93/98/263139398.db2.gz DLVVMSIZGHISFB-SMDDNHRTSA-N 0 3 282.309 3.829 20 30 CHEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cccs1 ZINC000293668375 263146187 /nfs/dbraw/zinc/14/61/87/263146187.db2.gz UPUQHJCZYYBVHH-BZPMIXESSA-N 0 3 260.406 3.823 20 30 CHEDHN C[C@H](Cc1ccc(O)cc1)N[C@H](CCC#N)c1ccccc1 ZINC000293660710 263146286 /nfs/dbraw/zinc/14/62/86/263146286.db2.gz PNQWQRLJAUQYDZ-DNVCBOLYSA-N 0 3 294.398 3.958 20 30 CHEDHN C=C(CNCc1c[nH]nc1-c1ccccc1)c1ccccc1 ZINC000340436078 263148221 /nfs/dbraw/zinc/14/82/21/263148221.db2.gz AXLXDZOAMMMFIK-UHFFFAOYSA-N 0 3 289.382 3.880 20 30 CHEDHN C[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2O1 ZINC000295112483 263172796 /nfs/dbraw/zinc/17/27/96/263172796.db2.gz VHEDKFITJXIDOF-IXYNUQLISA-N 0 3 270.376 3.571 20 30 CHEDHN C[C@@H](CCC#N)N1CC=C(c2ccc(F)cc2)CC1 ZINC000297811259 263209983 /nfs/dbraw/zinc/20/99/83/263209983.db2.gz IMMBUYLQGGBEDO-ZDUSSCGKSA-N 0 3 258.340 3.607 20 30 CHEDHN CCOc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1OCC ZINC000299722595 263253865 /nfs/dbraw/zinc/25/38/65/263253865.db2.gz STASBAHQVJAYTA-UONOGXRCSA-N 0 3 290.407 3.827 20 30 CHEDHN C=CCCOCCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341912585 263365887 /nfs/dbraw/zinc/36/58/87/263365887.db2.gz VSTNHDZXSGJJCH-OAHLLOKOSA-N 0 3 295.810 3.736 20 30 CHEDHN C=CCCC[C@@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416196472 263681548 /nfs/dbraw/zinc/68/15/48/263681548.db2.gz WUMIEEKXGGIWCI-WBVHZDCISA-N 0 3 288.435 3.540 20 30 CHEDHN C[C@@H]1CCC[C@@H](C)C1NC(=O)C(C#N)CCc1ccccc1 ZINC000331350732 264206297 /nfs/dbraw/zinc/20/62/97/264206297.db2.gz NXCDECHUUGCJRQ-BFYDXBDKSA-N 0 3 298.430 3.700 20 30 CHEDHN CCS[C@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F ZINC000189492386 264302617 /nfs/dbraw/zinc/30/26/17/264302617.db2.gz PQUCQOGHHYXWIE-CVEARBPZSA-N 0 3 292.423 3.851 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000189514037 264303606 /nfs/dbraw/zinc/30/36/06/264303606.db2.gz VLXLRNNYHCYVEU-HOTGVXAUSA-N 0 3 280.371 3.652 20 30 CHEDHN C=CCCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280814155 264462091 /nfs/dbraw/zinc/46/20/91/264462091.db2.gz UDXXAESYWRAVCM-LBPRGKRZSA-N 0 3 293.716 3.558 20 30 CHEDHN CCC[C@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000345754191 265096679 /nfs/dbraw/zinc/09/66/79/265096679.db2.gz CVMSPLMCAIGICI-MFKMUULPSA-N 0 3 298.308 3.822 20 30 CHEDHN CCC1(CC)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000094802969 265256084 /nfs/dbraw/zinc/25/60/84/265256084.db2.gz IXHKNGZFIZJYSS-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN C=CCN(CCc1ccc(OC)cc1)Cc1cccs1 ZINC000096955779 265394082 /nfs/dbraw/zinc/39/40/82/265394082.db2.gz JAHLCVOTWRJGET-UHFFFAOYSA-N 0 3 287.428 3.987 20 30 CHEDHN C=CCOc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000516692400 266029613 /nfs/dbraw/zinc/02/96/13/266029613.db2.gz OTYWOJLVGHFPCQ-ZDUSSCGKSA-N 0 3 281.346 3.729 20 30 CHEDHN C#Cc1ccc(CN[C@@H]2CCOc3c(C)cccc32)cc1 ZINC000368570260 267187590 /nfs/dbraw/zinc/18/75/90/267187590.db2.gz ZYGHMZBYYPAHJX-GOSISDBHSA-N 0 3 277.367 3.590 20 30 CHEDHN N#CCC1(CN[C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000370210771 267299461 /nfs/dbraw/zinc/29/94/61/267299461.db2.gz SPVMJLFXKOZQNR-CQSZACIVSA-N 0 3 290.794 3.837 20 30 CHEDHN N#CC1(CNC2CCC(C#N)(c3ccccc3)CC2)CCC1 ZINC000418143094 267365727 /nfs/dbraw/zinc/36/57/27/267365727.db2.gz OSMIALZXEDEKJG-UHFFFAOYSA-N 0 3 293.414 3.674 20 30 CHEDHN C[C@H](NCCCCC#N)c1ccc(F)cc1OC(F)F ZINC000178649184 327795386 /nfs/dbraw/zinc/79/53/86/327795386.db2.gz QJZRYSHRXVXGKF-JTQLQIEISA-N 0 3 286.297 3.772 20 30 CHEDHN CSc1cc(Br)ccc1CNCCCC#N ZINC000273081791 327845164 /nfs/dbraw/zinc/84/51/64/327845164.db2.gz QTULEVAYGBBPLO-UHFFFAOYSA-N 0 3 299.237 3.564 20 30 CHEDHN C=C(C)COCCNc1cc(C)nc2ccccc21 ZINC000125672317 328001071 /nfs/dbraw/zinc/00/10/71/328001071.db2.gz DDVVFSSIGPESEB-UHFFFAOYSA-N 0 3 256.349 3.548 20 30 CHEDHN CCCOc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000534336679 328049347 /nfs/dbraw/zinc/04/93/47/328049347.db2.gz UGHISQSCDRQSGA-UHFFFAOYSA-N 0 3 294.398 3.979 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2CCC(=Cc3cccc(F)c3)CC2)C1 ZINC000563350590 328056775 /nfs/dbraw/zinc/05/67/75/328056775.db2.gz PGJFYEJEFYINHR-AEFFLSMTSA-N 0 3 284.378 3.997 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000537961240 328104998 /nfs/dbraw/zinc/10/49/98/328104998.db2.gz CFLUWDGSXANFGP-CQSZACIVSA-N 0 3 265.372 3.686 20 30 CHEDHN CCN(Cc1ccncc1)Cc1ccccc1C(C)(C)C#N ZINC000270984535 328194410 /nfs/dbraw/zinc/19/44/10/328194410.db2.gz GXHCHLZYMFMHMN-UHFFFAOYSA-N 0 3 293.414 3.905 20 30 CHEDHN CC[C@@H](CC#N)NC1CCC(C#N)(c2ccccc2)CC1 ZINC000273888122 328207189 /nfs/dbraw/zinc/20/71/89/328207189.db2.gz SMWTVNPFCLWHBX-AOCRQIFASA-N 0 3 281.403 3.672 20 30 CHEDHN C=C(CN[C@@H](C)c1ccc(OC)c(O)c1)c1ccccc1 ZINC000353412664 328205630 /nfs/dbraw/zinc/20/56/30/328205630.db2.gz MKQPCMXBNYHFIH-AWEZNQCLSA-N 0 3 283.371 3.765 20 30 CHEDHN CC(C)Oc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000274636400 328212269 /nfs/dbraw/zinc/21/22/69/328212269.db2.gz QAQZRPXAHYXLDW-LZWOXQAQSA-N 0 3 272.392 3.817 20 30 CHEDHN C[C@@H](CCC#N)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000276355283 328217945 /nfs/dbraw/zinc/21/79/45/328217945.db2.gz XHLSLKVDJYIOKX-NSHDSACASA-N 0 3 286.297 3.709 20 30 CHEDHN Cc1cccc(NC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000278636596 328229021 /nfs/dbraw/zinc/22/90/21/328229021.db2.gz OQCGROQJVMKHDO-QAPCUYQASA-N 0 3 283.419 3.564 20 30 CHEDHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 ZINC000224399175 329243345 /nfs/dbraw/zinc/24/33/45/329243345.db2.gz SUMWSWMTGMJKIL-UWVGGRQHSA-N 0 3 256.271 3.550 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1nc2c(s1)CCCC2 ZINC000296625947 328291514 /nfs/dbraw/zinc/29/15/14/328291514.db2.gz XDNDFSWJJRZQFA-AGIUHOORSA-N 0 3 289.448 3.755 20 30 CHEDHN N#CCCNCC1(Cc2ccccc2)CCCCC1 ZINC000584346783 328601029 /nfs/dbraw/zinc/60/10/29/328601029.db2.gz BLEQCUASBMEQHL-UHFFFAOYSA-N 0 3 256.393 3.683 20 30 CHEDHN C=CCC[C@H](NC[C@H]1CCCCN1CC)c1ccco1 ZINC000556868603 326975927 /nfs/dbraw/zinc/97/59/27/326975927.db2.gz SZXFOMIHSQJQNG-CVEARBPZSA-N 0 3 276.424 3.751 20 30 CHEDHN CN(C/C=C\c1ccccc1)Cc1ccc(C#N)cc1 ZINC000255640958 327001700 /nfs/dbraw/zinc/00/17/00/327001700.db2.gz RKMJDMRQOCOUFU-YVMONPNESA-N 0 3 262.356 3.703 20 30 CHEDHN C=CCSCCNCc1cc(Br)cs1 ZINC000163894972 331138181 /nfs/dbraw/zinc/13/81/81/331138181.db2.gz KGPCXHJJTUWVMD-UHFFFAOYSA-N 0 3 292.267 3.519 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CCC#N)CC1 ZINC000584170254 327056278 /nfs/dbraw/zinc/05/62/78/327056278.db2.gz FWASCGHBKVXUAF-CQSZACIVSA-N 0 3 267.376 3.635 20 30 CHEDHN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000090339736 327094430 /nfs/dbraw/zinc/09/44/30/327094430.db2.gz PUXZUOUMTHLLAY-KGLIPLIRSA-N 0 3 280.371 3.979 20 30 CHEDHN CCc1nc2ccccc2c(N2CCC(C#N)CC2)c1C ZINC000558446103 327095135 /nfs/dbraw/zinc/09/51/35/327095135.db2.gz QIBVDKLXCXXGLC-UHFFFAOYSA-N 0 3 279.387 3.846 20 30 CHEDHN C=C(C)CN(CC)Cc1ccc(-c2cnn(C)c2)s1 ZINC000559061409 327139586 /nfs/dbraw/zinc/13/95/86/327139586.db2.gz RCHRHJVISQMSMX-UHFFFAOYSA-N 0 3 275.421 3.547 20 30 CHEDHN N#CCCOCCN1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000559110438 327141797 /nfs/dbraw/zinc/14/17/97/327141797.db2.gz MQMIEJZRMAQYLV-JZHDPFOFSA-N 0 3 298.430 3.875 20 30 CHEDHN N#CCCOCCN1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000559110440 327141825 /nfs/dbraw/zinc/14/18/25/327141825.db2.gz MQMIEJZRMAQYLV-YAINUAMHSA-N 0 3 298.430 3.875 20 30 CHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569609039 327209753 /nfs/dbraw/zinc/20/97/53/327209753.db2.gz RYLVKRCSSIQBHU-INWMFGNUSA-N 0 3 299.374 3.619 20 30 CHEDHN CCCN(C(=O)C(C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000531043582 327227223 /nfs/dbraw/zinc/22/72/23/327227223.db2.gz XRIXNCOZOUQYPN-CHWSQXEVSA-N 0 3 284.359 3.892 20 30 CHEDHN CC1(C)CN(Cc2ccc(F)cc2C#N)[C@@H]2CCC[C@@H]21 ZINC000559426038 327244990 /nfs/dbraw/zinc/24/49/90/327244990.db2.gz YPRCDUFEFSEPKE-JKSUJKDBSA-N 0 3 272.367 3.708 20 30 CHEDHN C=CCC[C@H](NCC(C)(C)[C@@H](O)C(C)C)c1ccco1 ZINC000560544982 327322556 /nfs/dbraw/zinc/32/25/56/327322556.db2.gz RVXXBUGJUHWDBB-HOCLYGCPSA-N 0 3 279.424 3.920 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000560556143 327324347 /nfs/dbraw/zinc/32/43/47/327324347.db2.gz IPOUTYANCBQWGQ-JCNLHEQBSA-N 0 3 298.336 3.872 20 30 CHEDHN CCOCC(C)(C)CN[C@H](C)c1ccc(C#N)cc1Cl ZINC000570123384 327570600 /nfs/dbraw/zinc/57/06/00/327570600.db2.gz JOPMWXCQEAPZNN-GFCCVEGCSA-N 0 3 294.826 3.925 20 30 CHEDHN Cc1cccc([C@H](C)NCc2cc(C#N)cs2)c1 ZINC000160196294 327600024 /nfs/dbraw/zinc/60/00/24/327600024.db2.gz AAVKJNGSPLZPIT-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN C=CCC[C@@H](CO)NCc1cnc(C2CCCCC2)s1 ZINC000570667665 327609654 /nfs/dbraw/zinc/60/96/54/327609654.db2.gz PKIDCBKQQIXUKW-AWEZNQCLSA-N 0 3 294.464 3.608 20 30 CHEDHN C[C@H](Nc1ccc(F)cc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000570671925 327609787 /nfs/dbraw/zinc/60/97/87/327609787.db2.gz BHHPSQMMWKRJEP-UGSOOPFHSA-N 0 3 297.377 3.801 20 30 CHEDHN C[C@@H](C#N)CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000526986005 328818313 /nfs/dbraw/zinc/81/83/13/328818313.db2.gz RSFHGYIUYYMZDE-ZRUFSTJUSA-N 0 3 268.813 3.643 20 30 CHEDHN C[C@@H](NCC12CCC(CC1)C2)c1ccc(C#N)cc1F ZINC000358589034 328888547 /nfs/dbraw/zinc/88/85/47/328888547.db2.gz MDMGRWITWQPJPT-SFYCDEOASA-N 0 3 272.367 3.928 20 30 CHEDHN N#CCCCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378400279 329048853 /nfs/dbraw/zinc/04/88/53/329048853.db2.gz VWCRWDGJEQAQTP-UHFFFAOYSA-N 0 3 275.783 3.518 20 30 CHEDHN N#CCCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378642576 329057689 /nfs/dbraw/zinc/05/76/89/329057689.db2.gz GOVYZUSRGBJGDT-CYBMUJFWSA-N 0 3 282.309 3.798 20 30 CHEDHN C=CCN1CCC(N[C@H](CC)c2ccc(F)cc2F)CC1 ZINC000177909435 329189907 /nfs/dbraw/zinc/18/99/07/329189907.db2.gz BSFVPXFHGAVHLI-QGZVFWFLSA-N 0 3 294.389 3.656 20 30 CHEDHN C=CCSCCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000180457975 329217407 /nfs/dbraw/zinc/21/74/07/329217407.db2.gz LWNCRUVNZOFNAT-CQSZACIVSA-N 0 3 281.396 3.548 20 30 CHEDHN C=CCSCCN[C@@H]1CCSc2ccc(F)cc21 ZINC000180459368 329217492 /nfs/dbraw/zinc/21/74/92/329217492.db2.gz UZBFEFGRGDUHQX-CYBMUJFWSA-N 0 3 283.437 3.871 20 30 CHEDHN CC(C)(CCC#N)CNCc1cnc(-c2ccccc2)nc1 ZINC000582807925 329226583 /nfs/dbraw/zinc/22/65/83/329226583.db2.gz MPEMXMPHAAMOHA-UHFFFAOYSA-N 0 3 294.402 3.563 20 30 CHEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1CC(C)C ZINC000396883393 329318347 /nfs/dbraw/zinc/31/83/47/329318347.db2.gz TVVRGOWCBOAMFI-INIZCTEOSA-N 0 3 272.392 3.577 20 30 CHEDHN C[C@@H]1CCC[C@H](N(C)Cc2cc(F)ccc2C#N)C1 ZINC000229957318 329359431 /nfs/dbraw/zinc/35/94/31/329359431.db2.gz OTXCZYCZMFKEEX-WBMJQRKESA-N 0 3 260.356 3.708 20 30 CHEDHN CC#CCCN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189812910 329389126 /nfs/dbraw/zinc/38/91/26/329389126.db2.gz LZCKVMUWHNIGIO-UHFFFAOYSA-N 0 3 282.387 3.729 20 30 CHEDHN C[C@H](CCc1ccc(OC(F)F)cc1)NCC1(C#N)CC1 ZINC000583299613 329442889 /nfs/dbraw/zinc/44/28/89/329442889.db2.gz JIQWNAOUIJSMQW-GFCCVEGCSA-N 0 3 294.345 3.502 20 30 CHEDHN Cc1cccc(CNCc2ccc(C#N)s2)c1C ZINC000421347648 329814944 /nfs/dbraw/zinc/81/49/44/329814944.db2.gz FXQNDNROJJRTDU-UHFFFAOYSA-N 0 3 256.374 3.526 20 30 CHEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CCC2)cc1F ZINC000421358439 329822484 /nfs/dbraw/zinc/82/24/84/329822484.db2.gz SZMFEQMMVCKSRO-UHFFFAOYSA-N 0 3 286.272 3.520 20 30 CHEDHN CC(C)=CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000571689144 329899014 /nfs/dbraw/zinc/89/90/14/329899014.db2.gz QZHAFFHDUPQMHZ-UHFFFAOYSA-N 0 3 268.282 3.633 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cscn1 ZINC000571741949 329919044 /nfs/dbraw/zinc/91/90/44/329919044.db2.gz KZCCFPNHXVOLAZ-DZGCQCFKSA-N 0 3 272.417 3.981 20 30 CHEDHN C=CCC[C@@H](NCc1csc([C@H](C)OC)n1)C1CC1 ZINC000269681670 330070265 /nfs/dbraw/zinc/07/02/65/330070265.db2.gz IGDJEDPORFMWNQ-SMDDNHRTSA-N 0 3 280.437 3.685 20 30 CHEDHN C#CC[C@@H](NCc1ccc(COC)cc1)c1ccccc1 ZINC000270167262 330073888 /nfs/dbraw/zinc/07/38/88/330073888.db2.gz GYPROOFJXPGZFQ-LJQANCHMSA-N 0 3 279.383 3.687 20 30 CHEDHN C#CCCN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000270462760 330075305 /nfs/dbraw/zinc/07/53/05/330075305.db2.gz AMDZSXPAJUAFRN-GFCCVEGCSA-N 0 3 250.411 3.591 20 30 CHEDHN C=CCC(CC=C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000270404531 330075442 /nfs/dbraw/zinc/07/54/42/330075442.db2.gz XNAGPXWBJPLXOP-UHFFFAOYSA-N 0 3 286.419 3.764 20 30 CHEDHN C#CCCCN(C)[C@H](C)c1nc2ccccc2s1 ZINC000270987088 330077444 /nfs/dbraw/zinc/07/74/44/330077444.db2.gz DHPPADZKSPQWAJ-GFCCVEGCSA-N 0 3 258.390 3.703 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000572446650 330093418 /nfs/dbraw/zinc/09/34/18/330093418.db2.gz ALCXHVIXASIEQJ-HOTGVXAUSA-N 0 3 297.427 3.831 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1cccc(F)c1 ZINC000421870524 330100082 /nfs/dbraw/zinc/10/00/82/330100082.db2.gz FLGGVYRKNPMJPK-OAHLLOKOSA-N 0 3 274.364 4.000 20 30 CHEDHN C=CCC[C@@H](C)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274814410 330108115 /nfs/dbraw/zinc/10/81/15/330108115.db2.gz YSQHVDYDXVEHEN-CXAGYDPISA-N 0 3 287.382 3.593 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000276842204 330114781 /nfs/dbraw/zinc/11/47/81/330114781.db2.gz CDUUNFKZPZSEBR-MROQNXINSA-N 0 3 264.417 3.570 20 30 CHEDHN C=C(C)[C@@H](NC[C@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000278881352 330120660 /nfs/dbraw/zinc/12/06/60/330120660.db2.gz ZOCXFZFVDQZFPO-IAQYHMDHSA-N 0 3 283.387 3.925 20 30 CHEDHN C=CCC[C@H](CC)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000279432377 330123350 /nfs/dbraw/zinc/12/33/50/330123350.db2.gz GSNKVULXFMPTCH-KBPBESRZSA-N 0 3 299.422 3.571 20 30 CHEDHN C=CCC[C@H](NC[C@@H]1NCCc2ccccc21)c1ccco1 ZINC000423445487 330202284 /nfs/dbraw/zinc/20/22/84/330202284.db2.gz YHDOPOSPPQEXCB-ROUUACIJSA-N 0 3 296.414 3.764 20 30 CHEDHN CC[C@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1Cl ZINC000399742110 330246156 /nfs/dbraw/zinc/24/61/56/330246156.db2.gz JHTAMDPOSGSWBH-FZMZJTMJSA-N 0 3 262.784 3.832 20 30 CHEDHN C=CCCC[C@@H](C)N1CCc2nc(C(C)C)ncc2C1 ZINC000527620347 330265904 /nfs/dbraw/zinc/26/59/04/330265904.db2.gz QHBJKTWUTVJSKP-CQSZACIVSA-N 0 3 273.424 3.703 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527908970 330290530 /nfs/dbraw/zinc/29/05/30/330290530.db2.gz GUSNCQHJEWTOJW-ZVWUFJHRSA-N 0 3 278.758 3.748 20 30 CHEDHN CC(C)n1cncc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000424179695 330318639 /nfs/dbraw/zinc/31/86/39/330318639.db2.gz ZOPCJCBKXUAMGG-GOSISDBHSA-N 0 3 294.402 3.503 20 30 CHEDHN Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424189008 330322020 /nfs/dbraw/zinc/32/20/20/330322020.db2.gz CVQRMDXHNZWPJQ-SMDDNHRTSA-N 0 3 282.309 3.796 20 30 CHEDHN C[C@@H](CNCc1ccc(C#N)cc1F)Cc1cccs1 ZINC000532987140 330323292 /nfs/dbraw/zinc/32/32/92/330323292.db2.gz SADFLKBZPVMTLD-GFCCVEGCSA-N 0 3 288.391 3.727 20 30 CHEDHN CC(C)[C@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000071029228 330324771 /nfs/dbraw/zinc/32/47/71/330324771.db2.gz NPCOROIABDQKTL-HNNXBMFYSA-N 0 3 274.383 3.955 20 30 CHEDHN COCc1ccccc1/C=C(\C)CN[C@@H]1CC[C@H](C#N)C1 ZINC000424203823 330327116 /nfs/dbraw/zinc/32/71/16/330327116.db2.gz SAQHEIORYUNBDX-JGRVFGOJSA-N 0 3 284.403 3.518 20 30 CHEDHN Cc1cc2c(cc1C)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424325987 330341317 /nfs/dbraw/zinc/34/13/17/330341317.db2.gz LMPXIHYTXNQOAC-ZMSDIMECSA-N 0 3 284.403 3.799 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(s1)CCCC2 ZINC000424328766 330341815 /nfs/dbraw/zinc/34/18/15/330341815.db2.gz OMWIVMDTTCMTIZ-MBNYWOFBSA-N 0 3 274.433 3.970 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC000424337721 330343709 /nfs/dbraw/zinc/34/37/09/330343709.db2.gz ZWIFCJYZIYUTBA-JBLDHEPKSA-N 0 3 298.308 3.770 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000537021543 330385423 /nfs/dbraw/zinc/38/54/23/330385423.db2.gz BOCGBVSMCPZTQD-OAHLLOKOSA-N 0 3 295.386 3.615 20 30 CHEDHN C=C(C)CN[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000537022514 330385490 /nfs/dbraw/zinc/38/54/90/330385490.db2.gz OIRZYQIRJKGASZ-OAHLLOKOSA-N 0 3 282.387 3.887 20 30 CHEDHN COc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000537028064 330387055 /nfs/dbraw/zinc/38/70/55/330387055.db2.gz DUQKOUHQQCRVBX-CQSZACIVSA-N 0 3 283.346 3.537 20 30 CHEDHN C=C(C)COCCN[C@H]1CCSc2ccc(F)cc21 ZINC000090451397 330392690 /nfs/dbraw/zinc/39/26/90/330392690.db2.gz PFGNAQFXTDAISN-AWEZNQCLSA-N 0 3 281.396 3.545 20 30 CHEDHN C=CCCC[C@@H](C)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000537048658 330394779 /nfs/dbraw/zinc/39/47/79/330394779.db2.gz WBWQIBALIXSTQX-CHWSQXEVSA-N 0 3 279.346 3.775 20 30 CHEDHN CCCCOc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430071157 330558529 /nfs/dbraw/zinc/55/85/29/330558529.db2.gz LVBROCLRWBUVTK-UHFFFAOYSA-N 0 3 272.392 3.649 20 30 CHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(Cl)cc1F ZINC000435739227 330661528 /nfs/dbraw/zinc/66/15/28/330661528.db2.gz FPAVLTBKTWRPAW-WFASDCNBSA-N 0 3 283.774 3.550 20 30 CHEDHN CC#CCCNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000437786152 330708565 /nfs/dbraw/zinc/70/85/65/330708565.db2.gz HJJSUEWDLAOZGD-UHFFFAOYSA-N 0 3 275.701 3.862 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](COC)c1ccco1 ZINC000449178774 330903880 /nfs/dbraw/zinc/90/38/80/330903880.db2.gz UOZMSGXHJXMJQQ-KBPBESRZSA-N 0 3 251.370 3.692 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(-c2ccccc2)cs1 ZINC000449519766 330933322 /nfs/dbraw/zinc/93/33/22/330933322.db2.gz NARANPGFPXMTIH-SJORKVTESA-N 0 3 285.412 3.848 20 30 CHEDHN N#Cc1csc(CNC2(Cc3ccc(F)cc3)CC2)c1 ZINC000449567564 330937515 /nfs/dbraw/zinc/93/75/15/330937515.db2.gz UNVRMIVNBQRPJL-UHFFFAOYSA-N 0 3 286.375 3.624 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000450737794 330996998 /nfs/dbraw/zinc/99/69/98/330996998.db2.gz KTVGNRWIZXELOI-CVEARBPZSA-N 0 3 272.367 3.745 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@H]2c2ccccc2)CCC1 ZINC000450820391 331000971 /nfs/dbraw/zinc/00/09/71/331000971.db2.gz NRPGESPVPSVBQA-HOTGVXAUSA-N 0 3 254.377 3.606 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1CC1(C#N)CC1 ZINC000451194546 331019932 /nfs/dbraw/zinc/01/99/32/331019932.db2.gz ZCWZKLAVZGPJNF-IJEWVQPXSA-N 0 3 254.377 3.557 20 30 CHEDHN C=C(C)CN[C@@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000451689641 331039279 /nfs/dbraw/zinc/03/92/79/331039279.db2.gz JUZXZMRHKCRUSN-AWEZNQCLSA-N 0 3 287.325 3.949 20 30 CHEDHN C=CC(C)(C)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000453306015 331113953 /nfs/dbraw/zinc/11/39/53/331113953.db2.gz IQTLCVXPORWXSQ-AWEZNQCLSA-N 0 3 261.413 3.833 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1sc(C(C)C)nc1C ZINC000453335698 331118377 /nfs/dbraw/zinc/11/83/77/331118377.db2.gz FOSXXTGJGFCDLE-BNOWGMLFSA-N 0 3 294.464 3.959 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cc(Cl)ccc1OC ZINC000453364885 331123137 /nfs/dbraw/zinc/12/31/37/331123137.db2.gz QKODBWGJDKKJSA-ZNMIVQPWSA-N 0 3 295.810 3.733 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1sc(C(C)C)nc1C ZINC000453372744 331124307 /nfs/dbraw/zinc/12/43/07/331124307.db2.gz VBSZQUGIZBZFKH-UHTWSYAYSA-N 0 3 280.437 3.569 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(Cl)c1Cl ZINC000453373998 331124438 /nfs/dbraw/zinc/12/44/38/331124438.db2.gz WNHWJQMBMKMVQW-WQAKAFBOSA-N 0 3 286.202 3.988 20 30 CHEDHN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000453377598 331125257 /nfs/dbraw/zinc/12/52/57/331125257.db2.gz IYBIZDOCIDEQCJ-BBATYDOGSA-N 0 3 298.336 3.860 20 30 CHEDHN C[C@H](NCCC1CC(F)(F)C1)c1ccc(C#N)cc1F ZINC000453431344 331131285 /nfs/dbraw/zinc/13/12/85/331131285.db2.gz RNXAINPAGSMWNU-JTQLQIEISA-N 0 3 282.309 3.783 20 30 CHEDHN C[C@H](CC(C)(C)C)NC(=O)C(C#N)CCc1ccccc1 ZINC000457184092 331214402 /nfs/dbraw/zinc/21/44/02/331214402.db2.gz BIPKGXWFJBXSIQ-GDBMZVCRSA-N 0 3 286.419 3.700 20 30 CHEDHN C=CCC(C)(C)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458265110 331246664 /nfs/dbraw/zinc/24/66/64/331246664.db2.gz NARROAJEWGIUJW-UHFFFAOYSA-N 0 3 274.408 3.597 20 30 CHEDHN CCC[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CCC1 ZINC000458300615 331247659 /nfs/dbraw/zinc/24/76/59/331247659.db2.gz CFHCAAKZMZFNEW-ROUUACIJSA-N 0 3 298.430 3.844 20 30 CHEDHN N#CCCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459587583 331289625 /nfs/dbraw/zinc/28/96/25/331289625.db2.gz WLPTZFRTBSJPQU-INIZCTEOSA-N 0 3 254.377 3.907 20 30 CHEDHN C=CCC[C@@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000459628116 331290984 /nfs/dbraw/zinc/29/09/84/331290984.db2.gz CORNVZJOLUSNGI-GHMZBOCLSA-N 0 3 250.411 3.637 20 30 CHEDHN CC(C)Oc1cccc(CNCC(C)(C)CC#N)c1 ZINC000459685717 331294418 /nfs/dbraw/zinc/29/44/18/331294418.db2.gz FTUWZZQPQPDBFV-UHFFFAOYSA-N 0 3 260.381 3.503 20 30 CHEDHN CC(C)(CC#N)CNCc1ccccc1C(F)(F)F ZINC000459704396 331295150 /nfs/dbraw/zinc/29/51/50/331295150.db2.gz XNZWCJJHXFODDR-UHFFFAOYSA-N 0 3 270.298 3.735 20 30 CHEDHN CC(C)(CC#N)CNCc1cnc(-c2cccs2)s1 ZINC000459732068 331296681 /nfs/dbraw/zinc/29/66/81/331296681.db2.gz OIJLDLOURZPIAS-UHFFFAOYSA-N 0 3 291.445 3.901 20 30 CHEDHN Cc1ccc(OC(F)F)c(CNCC(C)(C)CC#N)c1 ZINC000459732053 331296714 /nfs/dbraw/zinc/29/67/14/331296714.db2.gz OGKANSIUKFGICC-UHFFFAOYSA-N 0 3 282.334 3.626 20 30 CHEDHN COc1ccc2c(c1)CCC[C@@H]2NCC(C)(C)CC#N ZINC000459736243 331296841 /nfs/dbraw/zinc/29/68/41/331296841.db2.gz UHLZGEASBOXFIR-INIZCTEOSA-N 0 3 272.392 3.602 20 30 CHEDHN N#Cc1cccc(CNC2(C3CCC3)CCC2)c1F ZINC000459767865 331299436 /nfs/dbraw/zinc/29/94/36/331299436.db2.gz LJUMGZMFYLESQU-UHFFFAOYSA-N 0 3 258.340 3.510 20 30 CHEDHN C=CC[C@H](C)NCc1sccc1Br ZINC000164997362 331305566 /nfs/dbraw/zinc/30/55/66/331305566.db2.gz GFSSETJMJHCINN-QMMMGPOBSA-N 0 3 260.200 3.565 20 30 CHEDHN CC1(C)CC(NCc2ccc(C#N)o2)CC(C)(C)C1 ZINC000165232954 331305996 /nfs/dbraw/zinc/30/59/96/331305996.db2.gz CHZMNZVIIRGJCZ-UHFFFAOYSA-N 0 3 260.381 3.846 20 30 CHEDHN CC#CCCN(Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000462313150 331319264 /nfs/dbraw/zinc/31/92/64/331319264.db2.gz ICRYDOBDUOQEBN-UHFFFAOYSA-N 0 3 289.419 3.718 20 30 CHEDHN C=CCN(Cc1cn(C)nc1C(F)F)CC1CCCCC1 ZINC000462950041 331335850 /nfs/dbraw/zinc/33/58/50/331335850.db2.gz CFYIAHFZYKQEDR-UHFFFAOYSA-N 0 3 297.393 3.926 20 30 CHEDHN CC(C)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464812287 331369411 /nfs/dbraw/zinc/36/94/11/331369411.db2.gz KCXMOFOFYSLFEF-IAGOWNOFSA-N 0 3 256.393 3.804 20 30 CHEDHN C=CC[C@H](CC)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000466402396 331395151 /nfs/dbraw/zinc/39/51/51/331395151.db2.gz VRVQZKCXGRVPEV-NEPJUHHUSA-N 0 3 264.438 3.712 20 30 CHEDHN C=CCCCCN[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000471585139 331511304 /nfs/dbraw/zinc/51/13/04/331511304.db2.gz KXEXIONCSJNFJP-CQSZACIVSA-N 0 3 284.407 3.583 20 30 CHEDHN Cc1c2ccccc2n(C)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000475199948 331617861 /nfs/dbraw/zinc/61/78/61/331617861.db2.gz XUOGKLAVJASLSR-HUUCEWRRSA-N 0 3 281.403 3.659 20 30 CHEDHN C[C@H]1CC(CCN2CCC(F)(C#N)CC2)C[C@H](C)C1 ZINC000510950195 332921639 /nfs/dbraw/zinc/92/16/39/332921639.db2.gz UALDDQCRDKKVMB-ZIAGYGMSSA-N 0 3 266.404 3.776 20 30 CHEDHN C[C@H](CSc1nc(-c2ccccc2)ccc1C#N)N(C)C ZINC000479101560 331720312 /nfs/dbraw/zinc/72/03/12/331720312.db2.gz IIURXAVVACSGAY-CYBMUJFWSA-N 0 3 297.427 3.662 20 30 CHEDHN C=C(C)[C@H](NC[C@@H]1CCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000479428100 331728871 /nfs/dbraw/zinc/72/88/71/331728871.db2.gz UAGXXAYPZSBCJW-AHIWAGSCSA-N 0 3 295.373 3.987 20 30 CHEDHN C=C(C)CN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481376597 331805561 /nfs/dbraw/zinc/80/55/61/331805561.db2.gz JRWOADGNMZZNDY-FZMZJTMJSA-N 0 3 253.773 3.582 20 30 CHEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000484082262 331892319 /nfs/dbraw/zinc/89/23/19/331892319.db2.gz GHMBKTXNYOTWJE-DLBZAZTESA-N 0 3 263.384 3.820 20 30 CHEDHN Cc1cc(CN[C@H](C)c2cccs2)ccc1C#N ZINC000488003325 331986917 /nfs/dbraw/zinc/98/69/17/331986917.db2.gz RLXQHQFUJSLWQR-GFCCVEGCSA-N 0 3 256.374 3.779 20 30 CHEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1cccc(Cl)c1 ZINC000489404730 332050535 /nfs/dbraw/zinc/05/05/35/332050535.db2.gz MVCMPOUKDXSPAU-HNNXBMFYSA-N 0 3 292.810 3.709 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc2ncccc2c1 ZINC000489461762 332053920 /nfs/dbraw/zinc/05/39/20/332053920.db2.gz JBNYZIBUCCSFAV-MRXNPFEDSA-N 0 3 252.361 3.775 20 30 CHEDHN CN(Cc1ccc(C#N)cc1Cl)C1(C)CCCC1 ZINC000490206980 332084623 /nfs/dbraw/zinc/08/46/23/332084623.db2.gz JVPZZPRGZFHJGH-UHFFFAOYSA-N 0 3 262.784 3.976 20 30 CHEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCO[C@H](C)C1 ZINC000491135686 332155018 /nfs/dbraw/zinc/15/50/18/332155018.db2.gz LOIXOSPPKSWEHH-CABCVRRESA-N 0 3 277.383 3.629 20 30 CHEDHN N#CCC[C@@H](C#N)CNC1CCC(c2ccc(F)cc2)CC1 ZINC000575474344 335105913 /nfs/dbraw/zinc/10/59/13/335105913.db2.gz WGHVUWBJHHMSNF-NXVRBGIVSA-N 0 3 299.393 3.885 20 30 CHEDHN C[C@H](NCc1ccc(F)cc1C#N)C1CCCCC1 ZINC000553095183 334361015 /nfs/dbraw/zinc/36/10/15/334361015.db2.gz JQUSEAGTXNSQBE-LBPRGKRZSA-N 0 3 260.356 3.756 20 30 CHEDHN C=CC[C@@H](CC)N[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000500815945 332619420 /nfs/dbraw/zinc/61/94/20/332619420.db2.gz NDLWMGYIDQBAGD-IAGOWNOFSA-N 0 3 288.435 3.540 20 30 CHEDHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1F ZINC000512282036 332961298 /nfs/dbraw/zinc/96/12/98/332961298.db2.gz SMFAHWRQYCHJIC-NHYWBVRUSA-N 0 3 290.382 3.694 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@@H](C)CC1)c1ccc(C#N)cc1F ZINC000512635830 332976906 /nfs/dbraw/zinc/97/69/06/332976906.db2.gz IMNIHOSWCNXOHZ-YRGRVCCFSA-N 0 3 260.356 3.927 20 30 CHEDHN C=CCC(C)(C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000312028022 333075815 /nfs/dbraw/zinc/07/58/15/333075815.db2.gz MUTFEBHJNZHTBC-UHFFFAOYSA-N 0 3 282.771 3.940 20 30 CHEDHN C=CCN(CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000521220918 333115423 /nfs/dbraw/zinc/11/54/23/333115423.db2.gz WFLILHUWMNPLHZ-GFCCVEGCSA-N 0 3 287.325 3.901 20 30 CHEDHN C=CCC[C@H](NCC(C)(C)COCC)c1ccco1 ZINC000564152555 333121049 /nfs/dbraw/zinc/12/10/49/333121049.db2.gz OSVXQURYHQTCNS-AWEZNQCLSA-N 0 3 265.397 3.939 20 30 CHEDHN C=CCC[C@H](O)CN[C@@H](C)c1oc2ccccc2c1C ZINC000183629166 333121593 /nfs/dbraw/zinc/12/15/93/333121593.db2.gz CWPWVRZACNZXOC-KBPBESRZSA-N 0 3 273.376 3.719 20 30 CHEDHN C[C@@H](NC/C=C\c1ccccc1)c1ccc(C#N)cc1 ZINC000220554803 333167477 /nfs/dbraw/zinc/16/74/77/333167477.db2.gz BJCJEZNNQVOPCQ-GTBONMDNSA-N 0 3 262.356 3.922 20 30 CHEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1c1cccs1 ZINC000193736201 333256447 /nfs/dbraw/zinc/25/64/47/333256447.db2.gz NIWWVBAYZDYLBX-OAHLLOKOSA-N 0 3 298.411 3.836 20 30 CHEDHN CC[C@@H]1CCCCCN1Cc1ccc(F)c(C#N)c1 ZINC000229750911 333309173 /nfs/dbraw/zinc/30/91/73/333309173.db2.gz CCDOSWGYPDKUKM-OAHLLOKOSA-N 0 3 260.356 3.852 20 30 CHEDHN C=CCCOCCNCc1c2ccccc2oc1CC ZINC000229879843 333310802 /nfs/dbraw/zinc/31/08/02/333310802.db2.gz WVSMHGPLULMHJX-UHFFFAOYSA-N 0 3 273.376 3.678 20 30 CHEDHN CCN(Cc1cc(F)ccc1C#N)C1CCCCC1 ZINC000229957213 333312105 /nfs/dbraw/zinc/31/21/05/333312105.db2.gz YRXSIFVCZVEEGE-UHFFFAOYSA-N 0 3 260.356 3.852 20 30 CHEDHN CN(CCCCC(C)(C)C#N)CCC(F)(F)F ZINC000234271735 333359368 /nfs/dbraw/zinc/35/93/68/333359368.db2.gz RQRWGBHLXBUPKH-UHFFFAOYSA-N 0 3 250.308 3.591 20 30 CHEDHN COc1cc(CN[C@H](C)c2ccc(C)s2)ccc1C#N ZINC000234949951 333363479 /nfs/dbraw/zinc/36/34/79/333363479.db2.gz YJACMFBKWVANPG-GFCCVEGCSA-N 0 3 286.400 3.788 20 30 CHEDHN COc1ccc(CN2CCCc3ccccc3C2)cc1C#N ZINC000316322905 333388130 /nfs/dbraw/zinc/38/81/30/333388130.db2.gz FWIXZWAUNMGCDG-UHFFFAOYSA-N 0 3 292.382 3.515 20 30 CHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncccc1Cl ZINC000528546967 333445721 /nfs/dbraw/zinc/44/57/21/333445721.db2.gz WPWDOFPKZHHJHW-OCCSQVGLSA-N 0 3 264.800 3.960 20 30 CHEDHN C=C(C)COCCNCc1c(OC)ccc2ccccc21 ZINC000125784038 333573038 /nfs/dbraw/zinc/57/30/38/333573038.db2.gz KHOJCVORUUTDKG-UHFFFAOYSA-N 0 3 285.387 3.531 20 30 CHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000174252065 335151229 /nfs/dbraw/zinc/15/12/29/335151229.db2.gz DVIABQPAQOAGDZ-KGLIPLIRSA-N 0 3 298.361 3.815 20 30 CHEDHN C=CCCOCCN[C@H]1CCc2c1cccc2Cl ZINC000539051483 333651767 /nfs/dbraw/zinc/65/17/67/333651767.db2.gz KCAZPVZIRBQGHO-HNNXBMFYSA-N 0 3 265.784 3.510 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cccc(Br)c1 ZINC000128534424 333683626 /nfs/dbraw/zinc/68/36/26/333683626.db2.gz DJJWMMBXMVZWDZ-GFCCVEGCSA-N 0 3 298.224 3.692 20 30 CHEDHN C[C@@H](NCc1ccc2ncccc2c1)c1cccc(C#N)c1 ZINC000174431823 335154721 /nfs/dbraw/zinc/15/47/21/335154721.db2.gz DEDCYYAEPINLSR-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN C=CCCOCCN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540317499 333725242 /nfs/dbraw/zinc/72/52/42/333725242.db2.gz SYKYZBGEZTVGAR-QGZVFWFLSA-N 0 3 277.383 3.768 20 30 CHEDHN CC1(C)CCc2cc(CN3CCC(CC#N)CC3)ccc2O1 ZINC000543779236 333898209 /nfs/dbraw/zinc/89/82/09/333898209.db2.gz DUGNJZMMOBUEKY-UHFFFAOYSA-N 0 3 298.430 3.916 20 30 CHEDHN COc1ccc(C#N)cc1CN[C@@H](c1cccs1)C1CC1 ZINC000544398498 333929193 /nfs/dbraw/zinc/92/91/93/333929193.db2.gz ADQNSJLHACEECC-QGZVFWFLSA-N 0 3 298.411 3.869 20 30 CHEDHN C=CC[C@H](CO)N[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000545271735 333974831 /nfs/dbraw/zinc/97/48/31/333974831.db2.gz YDGCXIVYRLWQHH-NOZJJQNGSA-N 0 3 274.191 3.581 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000545948387 334008450 /nfs/dbraw/zinc/00/84/50/334008450.db2.gz IZWKHLOXLXYAOT-KYOSRNDESA-N 0 3 262.784 3.725 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000545948487 334008494 /nfs/dbraw/zinc/00/84/94/334008494.db2.gz UQRYILSSBDCUEU-DJIMGWMZSA-N 0 3 256.393 3.537 20 30 CHEDHN C/C=C/COc1ccc(CC[C@H](C)NC[C@@H](C)C#N)cc1 ZINC000547361821 334083476 /nfs/dbraw/zinc/08/34/76/334083476.db2.gz PERULHLLEUTNCV-SWJNODNISA-N 0 3 286.419 3.712 20 30 CHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000076801899 334089525 /nfs/dbraw/zinc/08/95/25/334089525.db2.gz SBYHUEOTKKBEDO-NSHDSACASA-N 0 3 298.789 3.704 20 30 CHEDHN C=C(C)COCCNCc1cc2ccccc2s1 ZINC000134504077 334092526 /nfs/dbraw/zinc/09/25/26/334092526.db2.gz ZVUCCHPVPIZDHO-UHFFFAOYSA-N 0 3 261.390 3.584 20 30 CHEDHN CC(C)N(CC#Cc1ccccc1Cl)C1CCOCC1 ZINC000135197937 334119674 /nfs/dbraw/zinc/11/96/74/334119674.db2.gz GPAMGDMLXXYDOJ-UHFFFAOYSA-N 0 3 291.822 3.581 20 30 CHEDHN C=CCOCCCN[C@@H](C)c1ccccc1OC(C)C ZINC000548751885 334169344 /nfs/dbraw/zinc/16/93/44/334169344.db2.gz RDNDKRZDSKNFRA-HNNXBMFYSA-N 0 3 277.408 3.717 20 30 CHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245416705 334191315 /nfs/dbraw/zinc/19/13/15/334191315.db2.gz FLAMCYHFTMJDKH-KBXCAEBGSA-N 0 3 262.356 3.751 20 30 CHEDHN C=CCOCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000550105715 334213305 /nfs/dbraw/zinc/21/33/05/334213305.db2.gz TWPRUPZLVPVDAU-OAHLLOKOSA-N 0 3 297.851 3.709 20 30 CHEDHN C=CCCCC[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000551237384 334241934 /nfs/dbraw/zinc/24/19/34/334241934.db2.gz PKJSIYUQHFCKGE-HNNXBMFYSA-N 0 3 271.408 3.867 20 30 CHEDHN CCc1ccc(CNC2(c3cccc(C#N)c3)CC2)s1 ZINC000551581614 334255089 /nfs/dbraw/zinc/25/50/89/334255089.db2.gz OJDUUMOGXJXHQE-UHFFFAOYSA-N 0 3 282.412 3.961 20 30 CHEDHN C[C@H](CCc1cccc(F)c1)N(C)CC(C)(C)C#N ZINC000552084886 334287156 /nfs/dbraw/zinc/28/71/56/334287156.db2.gz DAAKGIKPOPPBRQ-CYBMUJFWSA-N 0 3 262.372 3.628 20 30 CHEDHN C=CCC[C@H](NC[C@@H](C)N1CCC[C@H](C)C1)c1ccco1 ZINC000552224213 334305281 /nfs/dbraw/zinc/30/52/81/334305281.db2.gz OBZBRNVVIPIJBG-BBWFWOEESA-N 0 3 290.451 3.997 20 30 CHEDHN C=CCC[C@@H](NCCN1CCC[C@@H](C)C1)c1ccco1 ZINC000552254626 334309252 /nfs/dbraw/zinc/30/92/52/334309252.db2.gz NYOLELHYHALUAQ-HZPDHXFCSA-N 0 3 276.424 3.608 20 30 CHEDHN C[C@H](CC#N)N(C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249775430 334340394 /nfs/dbraw/zinc/34/03/94/334340394.db2.gz KGLCGJMICRGHQZ-OIISXLGYSA-N 0 3 256.393 3.731 20 30 CHEDHN C=CCN(CCOc1ccc(F)cc1Cl)C1CC1 ZINC000552835370 334347188 /nfs/dbraw/zinc/34/71/88/334347188.db2.gz KGPWNSYGXUBVSS-UHFFFAOYSA-N 0 3 269.747 3.508 20 30 CHEDHN C[C@@H]1CC[C@H](NCc2ccc(C#N)cc2F)C[C@H]1C ZINC000251744066 334368567 /nfs/dbraw/zinc/36/85/67/334368567.db2.gz JLMFNJXNQAOTFT-JMSVASOKSA-N 0 3 260.356 3.612 20 30 CHEDHN C=C(C)COc1cc(CN2CCCCC2)ccc1OC ZINC000092107493 334396378 /nfs/dbraw/zinc/39/63/78/334396378.db2.gz ZJBWGZMZLPTGOG-UHFFFAOYSA-N 0 3 275.392 3.636 20 30 CHEDHN C[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000576933122 335265416 /nfs/dbraw/zinc/26/54/16/335265416.db2.gz IHXRGOMIFGSBAW-HNNXBMFYSA-N 0 3 291.398 3.754 20 30 CHEDHN C[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000576933123 335265507 /nfs/dbraw/zinc/26/55/07/335265507.db2.gz IHXRGOMIFGSBAW-OAHLLOKOSA-N 0 3 291.398 3.754 20 30 CHEDHN C=C(C)CCN[C@@H](COC)c1cccc(Cl)c1 ZINC000580625925 335305737 /nfs/dbraw/zinc/30/57/37/335305737.db2.gz JHIPIZILKOXGEY-AWEZNQCLSA-N 0 3 253.773 3.583 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000577215606 335323997 /nfs/dbraw/zinc/32/39/97/335323997.db2.gz BVELDHOKVLHIOV-QYZOEREBSA-N 0 3 295.430 3.821 20 30 CHEDHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1ccc(C#N)cn1 ZINC000577506486 335361447 /nfs/dbraw/zinc/36/14/47/335361447.db2.gz XROZJLRTOQMXDP-UKRRQHHQSA-N 0 3 271.408 3.600 20 30 CHEDHN N#CCCC1CCN(Cc2ccc3occc3c2)CC1 ZINC000579355629 335738524 /nfs/dbraw/zinc/73/85/24/335738524.db2.gz PDLKRCQJRZQSFA-UHFFFAOYSA-N 0 3 268.360 3.949 20 30 CHEDHN C=CC(C)(C)CNCc1csc(-c2ccccn2)n1 ZINC000384903039 336134056 /nfs/dbraw/zinc/13/40/56/336134056.db2.gz BCYWXLHXDJHSGA-UHFFFAOYSA-N 0 3 273.405 3.507 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000385533106 336150650 /nfs/dbraw/zinc/15/06/50/336150650.db2.gz KAFQIYZMCHKHBN-SNVBAGLBSA-N 0 3 262.319 3.589 20 30 CHEDHN C=CCCCCNCc1ccccc1OC(F)F ZINC000385885296 336159383 /nfs/dbraw/zinc/15/93/83/336159383.db2.gz CLYHRLHUZBHBLV-UHFFFAOYSA-N 0 3 255.308 3.734 20 30 CHEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCCSCC#N ZINC000354827162 534060428 /nfs/dbraw/zinc/06/04/28/534060428.db2.gz GNLNBFZSUDDDFZ-OLZOCXBDSA-N 0 3 292.423 3.780 20 30 CHEDHN C=C(C)[C@@H](NC[C@@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000479409943 517318992 /nfs/dbraw/zinc/31/89/92/517318992.db2.gz KUWNZDVHXHHFJY-BLLLJJGKSA-N 0 3 281.346 3.598 20 30 CHEDHN CC(C#N)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000343348416 534281613 /nfs/dbraw/zinc/28/16/13/534281613.db2.gz MFSLNJSGTJOOIV-SECBINFHSA-N 0 3 297.185 3.644 20 30 CHEDHN CC(C)Oc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000037748426 519779763 /nfs/dbraw/zinc/77/97/63/519779763.db2.gz VJDQCSBDOKRHJJ-UHFFFAOYSA-N 0 3 280.371 3.635 20 30 CHEDHN CCN(Cc1cccc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000080933236 521338484 /nfs/dbraw/zinc/33/84/84/521338484.db2.gz OKERUXAQKOFNAD-AWEZNQCLSA-N 0 3 280.371 3.847 20 30 CHEDHN CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278175733 522877546 /nfs/dbraw/zinc/87/75/46/522877546.db2.gz CXODGYJBMSOWIM-LJQANCHMSA-N 0 3 293.414 3.865 20 30 CHEDHN CC[C@@H](NCc1cccc(COC)c1)c1ccc(C#N)cc1 ZINC000278336603 522880584 /nfs/dbraw/zinc/88/05/84/522880584.db2.gz WXYIOFLRLXKTMW-LJQANCHMSA-N 0 3 294.398 3.946 20 30 CHEDHN COc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1C#N ZINC000087823778 524089585 /nfs/dbraw/zinc/08/95/85/524089585.db2.gz KEHZLTGJMCLTQT-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN Cc1cc(CNCC2(C(F)(F)F)CCC2)ccc1C#N ZINC000353095514 524752568 /nfs/dbraw/zinc/75/25/68/524752568.db2.gz XOIGRUVLMYZVEU-UHFFFAOYSA-N 0 3 282.309 3.689 20 30 CHEDHN Cc1csc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000344620974 534818182 /nfs/dbraw/zinc/81/81/82/534818182.db2.gz ZPQWNIDHJWLYTO-LBPRGKRZSA-N 0 3 256.374 3.779 20 30 CHEDHN C[C@@H](NC1(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000272054498 525392198 /nfs/dbraw/zinc/39/21/98/525392198.db2.gz YLKLZFOIJJIGQH-CQSZACIVSA-N 0 3 262.356 3.898 20 30 CHEDHN C=CCN(Cc1cccc(C#N)c1)CC1(SC)CCC1 ZINC000356065682 526346077 /nfs/dbraw/zinc/34/60/77/526346077.db2.gz OVIQTAIJPHHDAH-UHFFFAOYSA-N 0 3 286.444 3.832 20 30 CHEDHN N#Cc1ccccc1OC1CCC(NCc2ccco2)CC1 ZINC000111408729 526744574 /nfs/dbraw/zinc/74/45/74/526744574.db2.gz MWKJDBRQBZSPRK-UHFFFAOYSA-N 0 3 296.370 3.631 20 30 CHEDHN C=CCC[C@@H](NCCc1nc(C)oc1C)c1ccco1 ZINC000353399826 527448290 /nfs/dbraw/zinc/44/82/90/527448290.db2.gz DOAGGPHWHFEXSZ-OAHLLOKOSA-N 0 3 274.364 3.724 20 30 CHEDHN C=CCC[C@@H](NC[C@@H]1CCCS1)c1ccco1 ZINC000353395650 527449694 /nfs/dbraw/zinc/44/96/94/527449694.db2.gz QMIRRUGXASJVRC-QWHCGFSZSA-N 0 3 251.395 3.772 20 30 CHEDHN CC(C)CC(CC(C)C)NCc1nc(C#N)cs1 ZINC000352833596 527682793 /nfs/dbraw/zinc/68/27/93/527682793.db2.gz JFTVOVBBVTZEEM-UHFFFAOYSA-N 0 3 265.426 3.565 20 30 CHEDHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000352825504 527823751 /nfs/dbraw/zinc/82/37/51/527823751.db2.gz UGWKQRMRWBXQGB-JSGCOSHPSA-N 0 3 277.437 3.709 20 30 CHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(O)cc(F)c1 ZINC000352012419 528133443 /nfs/dbraw/zinc/13/34/43/528133443.db2.gz ZINARZLRMVOZKE-UHFFFAOYSA-N 0 3 298.361 3.815 20 30 CHEDHN CC1(C#N)CCN(Cc2cccc3ccoc32)CC1 ZINC000334651634 528841794 /nfs/dbraw/zinc/84/17/94/528841794.db2.gz CEXVBKULSVRZHF-UHFFFAOYSA-N 0 3 254.333 3.558 20 30 CHEDHN CCS[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000344726221 529228904 /nfs/dbraw/zinc/22/89/04/529228904.db2.gz QREPDHKZHHDWSM-CABCVRRESA-N 0 3 292.423 3.851 20 30 CHEDHN C[C@@H](C#N)CN[C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000185573805 1118062397 /nfs/dbraw/zinc/06/23/97/1118062397.db2.gz STGCXALGOUCPQZ-NWDGAFQWSA-N 0 3 284.325 3.776 20 30 CHEDHN C=CCN(Cc1cccc(C(F)F)c1)[C@H](C)COC ZINC000661239647 1119411498 /nfs/dbraw/zinc/41/14/98/1119411498.db2.gz HZNOBEKDDXANOO-GFCCVEGCSA-N 0 3 269.335 3.647 20 30 CHEDHN CCC(CC)N(C)Cc1cccc(C#N)c1Cl ZINC001140813222 1119958651 /nfs/dbraw/zinc/95/86/51/1119958651.db2.gz ZTLFCQLPGPIGQA-UHFFFAOYSA-N 0 3 250.773 3.832 20 30 CHEDHN C=C1CCC(CNCc2ncc(CSC)s2)CC1 ZINC000922711424 1120586411 /nfs/dbraw/zinc/58/64/11/1120586411.db2.gz KVXYXKMJQATNCO-UHFFFAOYSA-N 0 3 282.478 3.842 20 30 CHEDHN C=C(C)[C@H](NC[C@@H](CCC)OC)c1ccc(F)c(F)c1 ZINC001180953687 1122026066 /nfs/dbraw/zinc/02/60/66/1122026066.db2.gz SABPQFSIDLOISQ-CJNGLKHVSA-N 0 3 283.362 3.987 20 30 CHEDHN C[C@@H](CCc1ccccc1)NCC1(C#N)CCCC1 ZINC000405161138 1122495137 /nfs/dbraw/zinc/49/51/37/1122495137.db2.gz YAOXGMGXXZYAEQ-HNNXBMFYSA-N 0 3 256.393 3.681 20 30 CHEDHN C#CC[C@H](NC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775399511 1122545524 /nfs/dbraw/zinc/54/55/24/1122545524.db2.gz RYHCIAPWDCKXIV-OLZOCXBDSA-N 0 3 268.187 3.534 20 30 CHEDHN C=CCN(Cc1cc(Cl)cc2c1OCC2)C(C)C ZINC000783414067 1122627713 /nfs/dbraw/zinc/62/77/13/1122627713.db2.gz HFNKQWUNJRYNTJ-UHFFFAOYSA-N 0 3 265.784 3.671 20 30 CHEDHN C=CCN(CCc1c(F)cccc1Cl)[C@@H](C)COC ZINC001196048789 1122904153 /nfs/dbraw/zinc/90/41/53/1122904153.db2.gz ZPXHMPFVFRIVKY-LBPRGKRZSA-N 0 3 285.790 3.545 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000776256129 1123189309 /nfs/dbraw/zinc/18/93/09/1123189309.db2.gz KWIZFVXGGSOVPH-CYBMUJFWSA-N 0 3 263.381 3.625 20 30 CHEDHN CC[C@@H]1CCCCCN1Cc1cccc(F)c1C#N ZINC000428241362 1123299346 /nfs/dbraw/zinc/29/93/46/1123299346.db2.gz TVHMDSGZDNAYGO-CQSZACIVSA-N 0 3 260.356 3.852 20 30 CHEDHN CSCc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000895313985 1123453190 /nfs/dbraw/zinc/45/31/90/1123453190.db2.gz PAKFWRNEZWCFPP-CQSZACIVSA-N 0 3 274.433 3.675 20 30 CHEDHN C=CCN(C)Cc1ccc(OCC(C)C)c(OCC)c1 ZINC000428384017 1124071003 /nfs/dbraw/zinc/07/10/03/1124071003.db2.gz NFCLUBWYARHRPQ-UHFFFAOYSA-N 0 3 277.408 3.738 20 30 CHEDHN CCCCCCCCN(C)Cc1cccc(C#N)n1 ZINC001232924998 1132545871 /nfs/dbraw/zinc/54/58/71/1132545871.db2.gz IUEMOLHYDUYYGG-UHFFFAOYSA-N 0 3 259.397 3.746 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000536629404 1125510252 /nfs/dbraw/zinc/51/02/52/1125510252.db2.gz DEJUDGPQABPKIU-LJQANCHMSA-N 0 3 294.398 3.984 20 30 CHEDHN CCC[N@H+](CCC(C)(C)C#N)Cc1ccccc1[O-] ZINC000119612870 1125535649 /nfs/dbraw/zinc/53/56/49/1125535649.db2.gz LLHLIHHSINMODO-UHFFFAOYSA-N 0 3 260.381 3.544 20 30 CHEDHN CCC[N@@H+](CCC(C)(C)C#N)Cc1ccccc1[O-] ZINC000119612870 1125535655 /nfs/dbraw/zinc/53/56/55/1125535655.db2.gz LLHLIHHSINMODO-UHFFFAOYSA-N 0 3 260.381 3.544 20 30 CHEDHN CCCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000536637880 1125568126 /nfs/dbraw/zinc/56/81/26/1125568126.db2.gz ZWEZMKXRXQGDSM-UHFFFAOYSA-N 0 3 294.398 3.979 20 30 CHEDHN C=C(C)CCN1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000509679429 1125574672 /nfs/dbraw/zinc/57/46/72/1125574672.db2.gz HSWBVLFARCPUGV-RDJZCZTQSA-N 0 3 259.393 3.723 20 30 CHEDHN C=CCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000077169204 1125688269 /nfs/dbraw/zinc/68/82/69/1125688269.db2.gz FOQOTFGPDTZNCL-UHFFFAOYSA-N 0 3 276.767 3.847 20 30 CHEDHN CC[C@@H](NCc1ccc(SC)c(C#N)c1)c1ccncc1 ZINC000886689927 1125708957 /nfs/dbraw/zinc/70/89/57/1125708957.db2.gz KUPAGPIPCLMKER-MRXNPFEDSA-N 0 3 297.427 3.916 20 30 CHEDHN C=CCCCN(C)Cc1conc1Cc1ccccc1 ZINC000508676316 1125728475 /nfs/dbraw/zinc/72/84/75/1125728475.db2.gz CUUYJMVOTQSGAZ-UHFFFAOYSA-N 0 3 270.376 3.663 20 30 CHEDHN CC(C)(CCC#N)CN1CCc2ccc(F)cc2C1 ZINC000093383844 1125768003 /nfs/dbraw/zinc/76/80/03/1125768003.db2.gz PTUNLBIWQTZNQE-UHFFFAOYSA-N 0 3 260.356 3.514 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)o1 ZINC000093561714 1125771745 /nfs/dbraw/zinc/77/17/45/1125771745.db2.gz XTFRIKQHEAKUIF-TZMCWYRMSA-N 0 3 284.334 3.668 20 30 CHEDHN C=C(C)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000509686038 1125776986 /nfs/dbraw/zinc/77/69/86/1125776986.db2.gz DTAZHLZMZNORFM-IRXDYDNUSA-N 0 3 254.377 3.724 20 30 CHEDHN CC[C@@H](C#N)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000122231318 1125785288 /nfs/dbraw/zinc/78/52/88/1125785288.db2.gz MVMNQQRHHPQRGM-HNNXBMFYSA-N 0 3 271.408 3.762 20 30 CHEDHN Cc1cc(C)nc(NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000122313559 1125786127 /nfs/dbraw/zinc/78/61/27/1125786127.db2.gz NHYLCHXCXWTFHA-UHFFFAOYSA-N 0 3 294.402 3.660 20 30 CHEDHN C=CCC[C@H](C)NCC(=O)c1ccc(C(F)(F)F)cc1 ZINC001258720279 1129549136 /nfs/dbraw/zinc/54/91/36/1129549136.db2.gz WWFYSDHKCXGTNH-NSHDSACASA-N 0 3 285.309 3.832 20 30 CHEDHN COc1ccc(CN[C@H](C)c2cccc(F)c2)cc1C#N ZINC000087822631 1129194352 /nfs/dbraw/zinc/19/43/52/1129194352.db2.gz FRFFLGOWMJCUMY-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN C#CCCCN1CCC[C@H]1c1ccc(Br)cc1 ZINC000766894973 1129768926 /nfs/dbraw/zinc/76/89/26/1129768926.db2.gz HRXICURVSHWPMJ-HNNXBMFYSA-N 0 3 292.220 3.999 20 30 CHEDHN CC(C)(C#N)CN[C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000903100509 1130112743 /nfs/dbraw/zinc/11/27/43/1130112743.db2.gz QPIJKJCKHUWXTI-GJZGRUSLSA-N 0 3 256.393 3.708 20 30 CHEDHN CC(C)CN(C/C=C\Cl)Cc1ccc(C#N)cc1 ZINC000746660487 1130136315 /nfs/dbraw/zinc/13/63/15/1130136315.db2.gz WSMYASIOUPGBIB-BAQGIRSFSA-N 0 3 262.784 3.769 20 30 CHEDHN CC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128801937 1126773788 /nfs/dbraw/zinc/77/37/88/1126773788.db2.gz OUESDPYMUJJFEL-WFASDCNBSA-N 0 3 294.354 3.533 20 30 CHEDHN C(#Cc1ccccc1)CN1CCC(c2ccccc2)CC1 ZINC000483531082 1126792280 /nfs/dbraw/zinc/79/22/80/1126792280.db2.gz KXGHPCZQVVMXPP-UHFFFAOYSA-N 0 3 275.395 3.918 20 30 CHEDHN C[C@@H](CN(C)CC#Cc1ccccc1)c1ccccc1 ZINC000483595515 1126793501 /nfs/dbraw/zinc/79/35/01/1126793501.db2.gz SHWXHBDAEFUCPN-KRWDZBQOSA-N 0 3 263.384 3.774 20 30 CHEDHN C=C(C)CN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000161033677 1126795148 /nfs/dbraw/zinc/79/51/48/1126795148.db2.gz UZTUGQLUWOUOJK-GOSISDBHSA-N 0 3 267.372 3.950 20 30 CHEDHN C#C[C@@H](NCc1ccc(F)cc1C(F)(F)F)C(C)C ZINC000387630776 1126798482 /nfs/dbraw/zinc/79/84/82/1126798482.db2.gz ISJKXTJFLYGPCZ-CYBMUJFWSA-N 0 3 273.273 3.592 20 30 CHEDHN C=CCCCCCN(C)[C@@H]1CCc2ccccc2NC1=O ZINC000483963032 1126805955 /nfs/dbraw/zinc/80/59/55/1126805955.db2.gz XOIFGTCRQAFDDO-QGZVFWFLSA-N 0 3 286.419 3.618 20 30 CHEDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000179561322 1126829453 /nfs/dbraw/zinc/82/94/53/1126829453.db2.gz QGHPYGNZPPALFN-CQSZACIVSA-N 0 3 280.371 3.847 20 30 CHEDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000179561322 1126829456 /nfs/dbraw/zinc/82/94/56/1126829456.db2.gz QGHPYGNZPPALFN-CQSZACIVSA-N 0 3 280.371 3.847 20 30 CHEDHN CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000181806656 1126861267 /nfs/dbraw/zinc/86/12/67/1126861267.db2.gz DYGWXVRIPWUGGN-GUYCJALGSA-N 0 3 265.360 3.755 20 30 CHEDHN Cc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1O ZINC000182655762 1126876155 /nfs/dbraw/zinc/87/61/55/1126876155.db2.gz DBLIJXFWGCUTPA-KRWDZBQOSA-N 0 3 280.371 3.835 20 30 CHEDHN Cc1cc(C)c(/C=C/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000905083157 1126889449 /nfs/dbraw/zinc/88/94/49/1126889449.db2.gz BWQIEHRBIRYEMZ-FVURKLFWSA-N 0 3 293.370 3.600 20 30 CHEDHN COc1ccc(Cl)cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185800235 1126903391 /nfs/dbraw/zinc/90/33/91/1126903391.db2.gz MURPIOWYQSDEFM-FZMZJTMJSA-N 0 3 278.783 3.521 20 30 CHEDHN Cc1c2ccccc2oc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185833528 1126903891 /nfs/dbraw/zinc/90/38/91/1126903891.db2.gz VQOCBIMXTLSCJB-KBPBESRZSA-N 0 3 268.360 3.913 20 30 CHEDHN C=CCCc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906176036 1126933921 /nfs/dbraw/zinc/93/39/21/1126933921.db2.gz XRFXXYMCGHQZNN-QGZVFWFLSA-N 0 3 279.387 3.687 20 30 CHEDHN CN(CCCC(C)(C)C#N)Cc1ccc(F)cc1F ZINC000266883135 1126989091 /nfs/dbraw/zinc/98/90/91/1126989091.db2.gz BBYRBRWEYDWZIC-UHFFFAOYSA-N 0 3 266.335 3.727 20 30 CHEDHN Cc1ccccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000269609539 1127043125 /nfs/dbraw/zinc/04/31/25/1127043125.db2.gz LNCVROIMSKTJFK-UHFFFAOYSA-N 0 3 262.356 3.646 20 30 CHEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(OCC#N)cc1 ZINC000271419066 1127079367 /nfs/dbraw/zinc/07/93/67/1127079367.db2.gz QRXLYAAEOWDFFC-GOSISDBHSA-N 0 3 295.386 3.567 20 30 CHEDHN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000271460334 1127083861 /nfs/dbraw/zinc/08/38/61/1127083861.db2.gz PQYLGWYESKAOBC-UONOGXRCSA-N 0 3 265.360 3.674 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000348901941 1127133184 /nfs/dbraw/zinc/13/31/84/1127133184.db2.gz AWLLJHMDATWTGQ-LJQANCHMSA-N 0 3 294.398 3.984 20 30 CHEDHN N#Cc1ccc(CNCc2ccc3occc3c2)cc1 ZINC000586776377 1127138135 /nfs/dbraw/zinc/13/81/35/1127138135.db2.gz FBDQGJWJIGPLTN-UHFFFAOYSA-N 0 3 262.312 3.594 20 30 CHEDHN C=CCCCCN(C)Cc1ccncc1C(F)(F)F ZINC001237295236 1131078172 /nfs/dbraw/zinc/07/81/72/1131078172.db2.gz PMNVRCARDDAQFO-UHFFFAOYSA-N 0 3 272.314 3.889 20 30 CHEDHN N#Cc1ccc(CNCc2cc(F)cc3cccnc32)cc1 ZINC000760656771 1127150839 /nfs/dbraw/zinc/15/08/39/1127150839.db2.gz LOMUYRWNNWOQBC-UHFFFAOYSA-N 0 3 291.329 3.535 20 30 CHEDHN C=CC[C@H](CO)N[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000349757041 1127159382 /nfs/dbraw/zinc/15/93/82/1127159382.db2.gz JTUZWFCCKAJWLR-DGCLKSJQSA-N 0 3 286.202 3.507 20 30 CHEDHN CN(Cc1cc(C#N)c(F)cc1F)CC1CCCCC1 ZINC001237531317 1131111418 /nfs/dbraw/zinc/11/14/18/1131111418.db2.gz ZQDPCVZTYXAQCI-UHFFFAOYSA-N 0 3 278.346 3.849 20 30 CHEDHN Cc1cc(C#N)ccc1CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000588204775 1127180881 /nfs/dbraw/zinc/18/08/81/1127180881.db2.gz OCIRGUNKRBERJC-AUUYWEPGSA-N 0 3 291.398 3.845 20 30 CHEDHN Cc1cc(C#N)ccc1CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000588204777 1127181398 /nfs/dbraw/zinc/18/13/98/1127181398.db2.gz OCIRGUNKRBERJC-KUHUBIRLSA-N 0 3 291.398 3.845 20 30 CHEDHN C=C(C)CCN1CC(c2nc3ccccc3s2)C1 ZINC000351754394 1127207573 /nfs/dbraw/zinc/20/75/73/1127207573.db2.gz ZUBBBCRXXQXJPV-UHFFFAOYSA-N 0 3 258.390 3.662 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@@H]2c2ccccc2)CCCC1 ZINC000589166602 1127213438 /nfs/dbraw/zinc/21/34/38/1127213438.db2.gz GROVQARIILWQNJ-SJORKVTESA-N 0 3 268.404 3.996 20 30 CHEDHN Cc1nc(C)c(CN(Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000589252612 1127216044 /nfs/dbraw/zinc/21/60/44/1127216044.db2.gz GZFZKXQKBCMGKR-UHFFFAOYSA-N 0 3 297.402 3.821 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccc(F)cc31)CC2 ZINC000589342407 1127218004 /nfs/dbraw/zinc/21/80/04/1127218004.db2.gz QRVDRTKXKQHPPX-OALUTQOASA-N 0 3 292.357 3.962 20 30 CHEDHN CC(C)(C)C1CCC(CNCc2nc(C#N)cs2)CC1 ZINC000589315634 1127218384 /nfs/dbraw/zinc/21/83/84/1127218384.db2.gz IUSIIRDGCLNMSV-UHFFFAOYSA-N 0 3 291.464 3.957 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589509719 1127222414 /nfs/dbraw/zinc/22/24/14/1127222414.db2.gz XQHQDBXXPZMRRQ-UHFFFAOYSA-N 0 3 268.282 3.585 20 30 CHEDHN CC(C)CN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000572659473 1127223338 /nfs/dbraw/zinc/22/33/38/1127223338.db2.gz HNWDBLKZVRVILM-UHFFFAOYSA-N 0 3 279.387 3.611 20 30 CHEDHN N#Cc1csc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000352931119 1127251900 /nfs/dbraw/zinc/25/19/00/1127251900.db2.gz FEEKIZFMKODPOS-CABCVRRESA-N 0 3 297.427 3.831 20 30 CHEDHN C[C@H](NCC1(C(F)(F)F)CC1)c1ccc(C#N)c(F)c1 ZINC000353961362 1127281841 /nfs/dbraw/zinc/28/18/41/1127281841.db2.gz VYQYCWXUWJPWLX-VIFPVBQESA-N 0 3 286.272 3.690 20 30 CHEDHN CC[C@H](NCc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930190802 1127298526 /nfs/dbraw/zinc/29/85/26/1127298526.db2.gz XVUKXYZKIBLZGA-INIZCTEOSA-N 0 3 285.778 3.848 20 30 CHEDHN CCC(C)(C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354458643 1127309093 /nfs/dbraw/zinc/30/90/93/1127309093.db2.gz CCKQRPJFFJWNSQ-OAHLLOKOSA-N 0 3 293.370 3.654 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000591728611 1127315343 /nfs/dbraw/zinc/31/53/43/1127315343.db2.gz YHCMVDRRJUJURZ-NXHRZFHOSA-N 0 3 281.403 3.746 20 30 CHEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C1(CC)CC ZINC000355138079 1127320554 /nfs/dbraw/zinc/32/05/54/1127320554.db2.gz SBLHLKQFUMAROR-CVEARBPZSA-N 0 3 290.407 3.567 20 30 CHEDHN CC(C)CC[C@@H](NCc1ccncc1C#N)C(C)(C)C ZINC000592096672 1127336129 /nfs/dbraw/zinc/33/61/29/1127336129.db2.gz AQPWLARFYMAILZ-MRXNPFEDSA-N 0 3 273.424 3.894 20 30 CHEDHN N#CCCC1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000592136111 1127337381 /nfs/dbraw/zinc/33/73/81/1127337381.db2.gz YNJCFUFMHJOWJM-UHFFFAOYSA-N 0 3 297.377 3.890 20 30 CHEDHN Cc1ccc(CN(Cc2ccc(C#N)cc2)CC2CC2)cn1 ZINC000592145551 1127338703 /nfs/dbraw/zinc/33/87/03/1127338703.db2.gz VQMKSPPGIFFDEE-UHFFFAOYSA-N 0 3 291.398 3.674 20 30 CHEDHN CC(C)Cc1ncc(CN2CCC(CCC#N)CC2)s1 ZINC000592517288 1127352333 /nfs/dbraw/zinc/35/23/33/1127352333.db2.gz VSQGEOZCGJNBFU-UHFFFAOYSA-N 0 3 291.464 3.857 20 30 CHEDHN C=CCCOCCNCc1c(Cl)ccc2cccnc21 ZINC001308361465 1127370973 /nfs/dbraw/zinc/37/09/73/1127370973.db2.gz VACMBJUVVOUHSV-UHFFFAOYSA-N 0 3 290.794 3.571 20 30 CHEDHN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000592398758 1127372410 /nfs/dbraw/zinc/37/24/10/1127372410.db2.gz SSCIBOZNRVBICK-FPMFFAJLSA-N 0 3 290.382 3.694 20 30 CHEDHN C[C@H](CCc1n[nH]c2ccccc21)NCC1(C#N)CCCC1 ZINC000593653139 1127392672 /nfs/dbraw/zinc/39/26/72/1127392672.db2.gz CQVMANKXKZWSKF-CQSZACIVSA-N 0 3 296.418 3.558 20 30 CHEDHN COc1ccc([C@H](C)[C@@H](C)NCC2(C#N)CCCC2)cc1 ZINC000593655156 1127393243 /nfs/dbraw/zinc/39/32/43/1127393243.db2.gz ZWTQJBOMOUDIGU-HUUCEWRRSA-N 0 3 286.419 3.861 20 30 CHEDHN CC(C)(C)[C@H]1C[C@H](NCC2(C#N)CCCC2)CS1 ZINC000593655018 1127393410 /nfs/dbraw/zinc/39/34/10/1127393410.db2.gz VHVJJSNIJPOKLD-QWHCGFSZSA-N 0 3 266.454 3.580 20 30 CHEDHN CC[C@@H](Cc1ccccc1)NCC1(C#N)CCCC1 ZINC000593653540 1127393504 /nfs/dbraw/zinc/39/35/04/1127393504.db2.gz PQSPGFMIEXGAKH-INIZCTEOSA-N 0 3 256.393 3.681 20 30 CHEDHN CC(C)[C@@H]1N(Cc2ccc(C#N)s2)CC12CC=CC2 ZINC000592525580 1127396630 /nfs/dbraw/zinc/39/66/30/1127396630.db2.gz ADEWGDKBIRFMIY-HNNXBMFYSA-N 0 3 272.417 3.796 20 30 CHEDHN CC(C)[C@H]1N(Cc2cc(C#N)cs2)CC12CC=CC2 ZINC000592526019 1127396736 /nfs/dbraw/zinc/39/67/36/1127396736.db2.gz FKAMLZQGTJHNKL-OAHLLOKOSA-N 0 3 272.417 3.796 20 30 CHEDHN COc1ccc(C(C)C)cc1CN1CCC(CC#N)CC1 ZINC000593973073 1127404675 /nfs/dbraw/zinc/40/46/75/1127404675.db2.gz ZNTJACDITWCFEM-UHFFFAOYSA-N 0 3 286.419 3.944 20 30 CHEDHN N#CCOc1ccc(Cl)cc1CN1CCC2(CC2)CC1 ZINC000761061497 1127415051 /nfs/dbraw/zinc/41/50/51/1127415051.db2.gz DFZHLUVBKKGUFT-UHFFFAOYSA-N 0 3 290.794 3.618 20 30 CHEDHN COC[C@H](CC(C)C)N[C@@H](CCC#N)c1ccccc1 ZINC000358330502 1127415729 /nfs/dbraw/zinc/41/57/29/1127415729.db2.gz QIGDVAVKRAPQLY-IRXDYDNUSA-N 0 3 274.408 3.682 20 30 CHEDHN Cc1cc(C)nc(NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594733725 1127429766 /nfs/dbraw/zinc/42/97/66/1127429766.db2.gz DBIGWSJCBJTWOX-UHFFFAOYSA-N 0 3 277.371 3.866 20 30 CHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccc(O)c1 ZINC000594919697 1127435598 /nfs/dbraw/zinc/43/55/98/1127435598.db2.gz JROHCKZREIJYBB-CQSZACIVSA-N 0 3 292.382 3.798 20 30 CHEDHN CC[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccncc1 ZINC000594924436 1127435718 /nfs/dbraw/zinc/43/57/18/1127435718.db2.gz YROLMPSAPUMIIO-SFHVURJKSA-N 0 3 291.398 3.878 20 30 CHEDHN C=CCCSCCNCc1cc(F)c(F)c(F)c1 ZINC000594960335 1127440496 /nfs/dbraw/zinc/44/04/96/1127440496.db2.gz OKLGQUNKNVTPNT-UHFFFAOYSA-N 0 3 275.339 3.503 20 30 CHEDHN C=CCCSCCNCc1cnc(-c2ccccc2)nc1 ZINC000594960215 1127440866 /nfs/dbraw/zinc/44/08/66/1127440866.db2.gz NHITWUOQDRFHBS-UHFFFAOYSA-N 0 3 299.443 3.543 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc2scnc2c1 ZINC001308726439 1127442214 /nfs/dbraw/zinc/44/22/14/1127442214.db2.gz HKBHBVHINFXEDK-ZDUSSCGKSA-N 0 3 258.390 3.837 20 30 CHEDHN N#CCCC[C@@H](N[C@@H]1CCCn2nccc21)c1ccccc1 ZINC000595038865 1127449851 /nfs/dbraw/zinc/44/98/51/1127449851.db2.gz PJQMNZIWXRRKNI-IAGOWNOFSA-N 0 3 294.402 3.743 20 30 CHEDHN C[C@H](Cc1ccsc1)NCC1(C#N)CCCCC1 ZINC000595092094 1127454569 /nfs/dbraw/zinc/45/45/69/1127454569.db2.gz WHKKLYMCVWXLKK-CYBMUJFWSA-N 0 3 262.422 3.743 20 30 CHEDHN CC[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 ZINC000595092455 1127454844 /nfs/dbraw/zinc/45/48/44/1127454844.db2.gz VUVHJAHMVIBGBV-RBUKOAKNSA-N 0 3 292.382 3.992 20 30 CHEDHN N#CC1(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)CCCCC1 ZINC000595092192 1127454944 /nfs/dbraw/zinc/45/49/44/1127454944.db2.gz YSAGDELCOUFNTN-AWEZNQCLSA-N 0 3 293.414 3.699 20 30 CHEDHN CC(C)(NCc1ccc(CC#N)cc1)c1cccc(C#N)c1 ZINC000595632551 1127469707 /nfs/dbraw/zinc/46/97/07/1127469707.db2.gz FIQIFCAIRGNHGG-UHFFFAOYSA-N 0 3 289.382 3.649 20 30 CHEDHN N#CC[C@@H]1CCCN(CCSc2ccc(F)cc2)C1 ZINC000595612668 1127470614 /nfs/dbraw/zinc/47/06/14/1127470614.db2.gz ZRRMKSKJTZRPKB-ZDUSSCGKSA-N 0 3 278.396 3.543 20 30 CHEDHN CC(C)c1ccc2c(c1)CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000595656747 1127471846 /nfs/dbraw/zinc/47/18/46/1127471846.db2.gz DVNGJBOKZUSWKS-KBXCAEBGSA-N 0 3 268.404 3.860 20 30 CHEDHN C[C@H](Cc1ccc2c(c1)CCCC2)NCC(C)(C)C#N ZINC000597082006 1127527301 /nfs/dbraw/zinc/52/73/01/1127527301.db2.gz FEPZBBDHZHKSHW-CQSZACIVSA-N 0 3 270.420 3.636 20 30 CHEDHN CSc1ccccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231786017 1127531788 /nfs/dbraw/zinc/53/17/88/1127531788.db2.gz OVNKNDSMWNZDII-XMQYKBBCSA-N 0 3 272.417 3.675 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2coc3ccccc23)C1 ZINC000597177044 1127532157 /nfs/dbraw/zinc/53/21/57/1127532157.db2.gz MFXOPZOFADHRLI-CYBMUJFWSA-N 0 3 254.333 3.558 20 30 CHEDHN CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000601962180 1127554766 /nfs/dbraw/zinc/55/47/66/1127554766.db2.gz BUUVBCVGDILGJA-NORZTCDRSA-N 0 3 278.346 3.944 20 30 CHEDHN CC(C)[C@@H](CNCc1cccc(F)c1C#N)c1cccnc1 ZINC000602012236 1127555543 /nfs/dbraw/zinc/55/55/43/1127555543.db2.gz KWMLMHPGDUXYFU-QGZVFWFLSA-N 0 3 297.377 3.622 20 30 CHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cc2ccccc2o1 ZINC000602514032 1127590030 /nfs/dbraw/zinc/59/00/30/1127590030.db2.gz KLIKNIQVRMEXGH-AWEZNQCLSA-N 0 3 298.386 3.621 20 30 CHEDHN N#CC1CCC(NCc2c(F)cccc2OC(F)F)CC1 ZINC000602559337 1127592759 /nfs/dbraw/zinc/59/27/59/1127592759.db2.gz HFWOMVDPUCFHDW-UHFFFAOYSA-N 0 3 298.308 3.599 20 30 CHEDHN CC[C@H](C)[C@H](CN[C@H](CCC#N)c1ccccc1)OC ZINC000602584033 1127597030 /nfs/dbraw/zinc/59/70/30/1127597030.db2.gz WJTXTXZHCASCMV-UAGQMJEPSA-N 0 3 274.408 3.682 20 30 CHEDHN Cc1nc([C@H]2CCCN2C[C@@H](C)CCC#N)cs1 ZINC000602615169 1127597530 /nfs/dbraw/zinc/59/75/30/1127597530.db2.gz IKWGQNYEGZUEKP-SMDDNHRTSA-N 0 3 263.410 3.528 20 30 CHEDHN Cc1cc(CN[C@@H](CCCC#N)c2ccccc2)sn1 ZINC000602669596 1127603502 /nfs/dbraw/zinc/60/35/02/1127603502.db2.gz KNIAKIFHHLYNCX-INIZCTEOSA-N 0 3 285.416 3.976 20 30 CHEDHN C[C@@H](NCC1(C#N)CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000602699218 1127605520 /nfs/dbraw/zinc/60/55/20/1127605520.db2.gz KSUUDXTZZWYPCB-HZSPNIEDSA-N 0 3 274.433 3.914 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000602710073 1127607969 /nfs/dbraw/zinc/60/79/69/1127607969.db2.gz XAXJMTPPEOGBAS-CQSZACIVSA-N 0 3 296.336 3.917 20 30 CHEDHN Cc1ccc(C)c(OC2CCN(CC3(CC#N)CC3)CC2)c1 ZINC000602764318 1127611288 /nfs/dbraw/zinc/61/12/88/1127611288.db2.gz PNYCCQDXYJXRPT-UHFFFAOYSA-N 0 3 298.430 3.841 20 30 CHEDHN CCc1nc2c(s1)[C@H](N(C)CC1(CC#N)CC1)CCC2 ZINC000602798941 1127614424 /nfs/dbraw/zinc/61/44/24/1127614424.db2.gz YXNNWNMDDPNLIF-CYBMUJFWSA-N 0 3 289.448 3.709 20 30 CHEDHN CCc1nc2c(s1)[C@@H](N(C)CC1(CC#N)CC1)CCC2 ZINC000602798944 1127614723 /nfs/dbraw/zinc/61/47/23/1127614723.db2.gz YXNNWNMDDPNLIF-ZDUSSCGKSA-N 0 3 289.448 3.709 20 30 CHEDHN CC(C)(CC#N)CNCc1csc(C(F)(F)F)c1 ZINC000598980547 1127649344 /nfs/dbraw/zinc/64/93/44/1127649344.db2.gz FUIFWOYJVRAQNF-UHFFFAOYSA-N 0 3 276.327 3.796 20 30 CHEDHN CN(Cc1cn2ccccc2c1C#N)CC1CCCCC1 ZINC000603580869 1127660759 /nfs/dbraw/zinc/66/07/59/1127660759.db2.gz FKOUKXDYOHVNKU-UHFFFAOYSA-N 0 3 281.403 3.823 20 30 CHEDHN Cc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)cc1C#N ZINC000599325652 1127667663 /nfs/dbraw/zinc/66/76/63/1127667663.db2.gz GGHKUWNWIMYYFJ-AWEZNQCLSA-N 0 3 280.371 3.765 20 30 CHEDHN COc1cccc([C@@H](C)NCc2ccc(C)c(C#N)c2)c1 ZINC000599348795 1127668514 /nfs/dbraw/zinc/66/85/14/1127668514.db2.gz LZSVTQQOFYCHLE-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN Cc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1C#N ZINC000599360993 1127669762 /nfs/dbraw/zinc/66/97/62/1127669762.db2.gz DJSPHFYYAWAXDZ-GOSISDBHSA-N 0 3 277.371 3.503 20 30 CHEDHN C=CC[C@H]1CCN(Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000599529779 1127678692 /nfs/dbraw/zinc/67/86/92/1127678692.db2.gz PMPVNQBDICMNFP-LBPRGKRZSA-N 0 3 293.794 3.525 20 30 CHEDHN N#Cc1ccc(CN(C2CC2)C2CC2)c(C(F)(F)F)c1 ZINC000599600213 1127682710 /nfs/dbraw/zinc/68/27/10/1127682710.db2.gz PZSGKPCEWUMFRF-UHFFFAOYSA-N 0 3 280.293 3.704 20 30 CHEDHN N#CCCCCNC1(c2c(F)cccc2F)CCC1 ZINC000599696765 1127687260 /nfs/dbraw/zinc/68/72/60/1127687260.db2.gz NIXYDVQPZYVUJV-UHFFFAOYSA-N 0 3 264.319 3.627 20 30 CHEDHN C=CCCCN1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000605149762 1127729857 /nfs/dbraw/zinc/72/98/57/1127729857.db2.gz LATUBQNFHKPYTH-HNNXBMFYSA-N 0 3 292.854 3.985 20 30 CHEDHN CC(C)(CCC#N)CN1CC[C@@](F)(c2ccccc2)C1 ZINC000367166386 1127751532 /nfs/dbraw/zinc/75/15/32/1127751532.db2.gz ZPGCBMIBXQKFCX-KRWDZBQOSA-N 0 3 274.383 3.887 20 30 CHEDHN Cc1nc(C)c(CNC2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594032502 1127774196 /nfs/dbraw/zinc/77/41/96/1127774196.db2.gz VMOZYLLMRYHZNL-UHFFFAOYSA-N 0 3 297.427 3.801 20 30 CHEDHN C=CCCc1ccccc1NC(=O)[C@H](CC)N(CC)CC ZINC000410351039 1127806062 /nfs/dbraw/zinc/80/60/62/1127806062.db2.gz CQMHUSHKFVOKAK-KRWDZBQOSA-N 0 3 288.435 3.864 20 30 CHEDHN Cc1cc([C@H]2CCCN2CCC2(C#N)CCCCC2)on1 ZINC000411169904 1127844929 /nfs/dbraw/zinc/84/49/29/1127844929.db2.gz FKFKMGYARYZYFX-OAHLLOKOSA-N 0 3 287.407 3.984 20 30 CHEDHN N#CC1(CCN2CCc3ccsc3C2)CCCCC1 ZINC000411427701 1127860020 /nfs/dbraw/zinc/86/00/20/1127860020.db2.gz QVRVFULJNPGFIZ-UHFFFAOYSA-N 0 3 274.433 3.970 20 30 CHEDHN C[C@@H](CCC#N)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000411626236 1127867717 /nfs/dbraw/zinc/86/77/17/1127867717.db2.gz ZGLSTIZFGHTBKE-QWRGUYRKSA-N 0 3 262.319 3.589 20 30 CHEDHN COc1cccc(C2(F)CCN([C@@H](C)CCC#N)CC2)c1 ZINC000411674476 1127868982 /nfs/dbraw/zinc/86/89/82/1127868982.db2.gz UXXUVANBSLUXNV-AWEZNQCLSA-N 0 3 290.382 3.648 20 30 CHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccccc1O ZINC000374267144 1127882962 /nfs/dbraw/zinc/88/29/62/1127882962.db2.gz DGKNPZFFPBRVSL-ROUUACIJSA-N 0 3 292.382 3.664 20 30 CHEDHN CCN(Cc1ccc(C#N)c(OC)c1)Cc1ccccc1C ZINC000442805636 1127917859 /nfs/dbraw/zinc/91/78/59/1127917859.db2.gz ALJWGWWJSKKOEB-UHFFFAOYSA-N 0 3 294.398 3.897 20 30 CHEDHN C=CCCCCCN(C)Cc1cnc(CC)s1 ZINC000539828997 1127945224 /nfs/dbraw/zinc/94/52/24/1127945224.db2.gz SBZXVYZYZSWFLE-UHFFFAOYSA-N 0 3 252.427 3.884 20 30 CHEDHN C=CCCN(C)Cc1cc(Cl)ccc1OC(F)F ZINC000467283749 1127963245 /nfs/dbraw/zinc/96/32/45/1127963245.db2.gz LGWDLHRHOIGBRX-UHFFFAOYSA-N 0 3 275.726 3.949 20 30 CHEDHN C[C@@H]1CN(Cc2cncc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000929716200 1128049152 /nfs/dbraw/zinc/04/91/52/1128049152.db2.gz YADLOTSOBBFDFT-BEFAXECRSA-N 0 3 291.398 3.579 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(CO)cc1 ZINC000470908872 1128079629 /nfs/dbraw/zinc/07/96/29/1128079629.db2.gz KKEJOINTJJGMBQ-UHFFFAOYSA-N 0 3 281.399 3.757 20 30 CHEDHN C[C@H]1CN(CCOc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000471022600 1128085935 /nfs/dbraw/zinc/08/59/35/1128085935.db2.gz ODUZWJOTYQPWKK-HNAYVOBHSA-N 0 3 292.382 3.630 20 30 CHEDHN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000924705810 1128110956 /nfs/dbraw/zinc/11/09/56/1128110956.db2.gz MNQRZDCDZDHDJV-NWDGAFQWSA-N 0 3 278.371 3.813 20 30 CHEDHN COc1ccc(Cl)cc1CN[C@H](C)CC(C)(C)C#N ZINC000924838960 1128114738 /nfs/dbraw/zinc/11/47/38/1128114738.db2.gz QNBFTQOCERCLTI-LLVKDONJSA-N 0 3 280.799 3.767 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)C2(Cl)CC2)c1 ZINC000925412710 1128129234 /nfs/dbraw/zinc/12/92/34/1128129234.db2.gz CBLCVUPOSRWZTE-GXTWGEPZSA-N 0 3 292.810 3.617 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCOc2c(F)cccc21 ZINC000926242308 1128162443 /nfs/dbraw/zinc/16/24/43/1128162443.db2.gz QAEXTDBHEHFRNP-BXUZGUMPSA-N 0 3 276.355 3.567 20 30 CHEDHN C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc([O-])cc(F)c1 ZINC000926356910 1128168555 /nfs/dbraw/zinc/16/85/55/1128168555.db2.gz QVWHZMXIAXCGKC-PNESKVBLSA-N 0 3 276.355 3.512 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(OC)no1 ZINC000926591412 1128182606 /nfs/dbraw/zinc/18/26/06/1128182606.db2.gz LJIOUVRDRUVSSX-HIFRSBDPSA-N 0 3 286.375 3.521 20 30 CHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cnn(C2CCC2)c1 ZINC000926625189 1128184164 /nfs/dbraw/zinc/18/41/64/1128184164.db2.gz BJLJLYGAZJASNP-AWEZNQCLSA-N 0 3 294.402 3.525 20 30 CHEDHN C=CCN(C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000494643094 1128184300 /nfs/dbraw/zinc/18/43/00/1128184300.db2.gz NAOBPGQEPJRAAX-UHFFFAOYSA-N 0 3 253.773 3.745 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](c1ccccn1)C1CCC1 ZINC000926753395 1128192037 /nfs/dbraw/zinc/19/20/37/1128192037.db2.gz SPYQKFUAUVBTBW-CZUORRHYSA-N 0 3 271.408 3.841 20 30 CHEDHN C[C@@H](NCc1ccc(CF)cc1)c1cccc(C#N)c1 ZINC000777722804 1128254658 /nfs/dbraw/zinc/25/46/58/1128254658.db2.gz VJERGRPIYHEWNO-CYBMUJFWSA-N 0 3 268.335 3.879 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1cc(C2CC2)n(C)n1 ZINC000927108632 1128218623 /nfs/dbraw/zinc/21/86/23/1128218623.db2.gz RVJUJLGEXSDKHK-CYBMUJFWSA-N 0 3 261.413 3.522 20 30 CHEDHN C=C1CCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC000929603750 1128278428 /nfs/dbraw/zinc/27/84/28/1128278428.db2.gz LMJFMQPYKOJNMX-GJZGRUSLSA-N 0 3 263.331 3.687 20 30 CHEDHN CC(C)(NCCCCC1(C#N)CCC1)c1nccs1 ZINC000929984569 1128296462 /nfs/dbraw/zinc/29/64/62/1128296462.db2.gz UJUMWFOZGJFHPL-UHFFFAOYSA-N 0 3 277.437 3.832 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cncc(C#N)c2)C1 ZINC000930473868 1128320298 /nfs/dbraw/zinc/32/02/98/1128320298.db2.gz DGPDQCCJXDQBIV-KDOFPFPSSA-N 0 3 277.371 3.536 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC(F)(F)[C@H](C)C1 ZINC000930511157 1128323002 /nfs/dbraw/zinc/32/30/02/1128323002.db2.gz AJJUDHJEFTURPB-CYBMUJFWSA-N 0 3 278.346 3.652 20 30 CHEDHN Cc1nc(C)c(CN[C@@H](CCCC#N)c2ccccc2)[nH]1 ZINC000930570613 1128325974 /nfs/dbraw/zinc/32/59/74/1128325974.db2.gz RVZJOKHLMPSOOJ-INIZCTEOSA-N 0 3 282.391 3.551 20 30 CHEDHN CCSc1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC000930925362 1128340119 /nfs/dbraw/zinc/34/01/19/1128340119.db2.gz YMEBKGIKHRDRKE-AWEZNQCLSA-N 0 3 274.433 3.924 20 30 CHEDHN CCn1ccnc1C(C#N)C(=O)CCCCC(C)(C)C ZINC001123234323 1128342960 /nfs/dbraw/zinc/34/29/60/1128342960.db2.gz UEAKVMQQPKKCHS-ZDUSSCGKSA-N 0 3 275.396 3.686 20 30 CHEDHN CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC000153745238 1128345757 /nfs/dbraw/zinc/34/57/57/1128345757.db2.gz SFPPOVKMCAKRAE-YVEFUNNKSA-N 0 3 296.418 3.711 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3c1cccc3F)CC2 ZINC000562080343 1128377209 /nfs/dbraw/zinc/37/72/09/1128377209.db2.gz ACYSUTXZRGGDIH-OALUTQOASA-N 0 3 292.357 3.962 20 30 CHEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2C(C)C)CCC1 ZINC000933302844 1128433334 /nfs/dbraw/zinc/43/33/34/1128433334.db2.gz JAMUJIPLLVPIGY-OAHLLOKOSA-N 0 3 298.430 3.673 20 30 CHEDHN C=CC[C@@H]1CCN1Cc1cc(F)cc2cccnc21 ZINC000934469875 1128461309 /nfs/dbraw/zinc/46/13/09/1128461309.db2.gz INMFOLOOCJTGDB-OAHLLOKOSA-N 0 3 256.324 3.524 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000154418117 1128502062 /nfs/dbraw/zinc/50/20/62/1128502062.db2.gz GODZUKNDOMXLPJ-OAHLLOKOSA-N 0 3 292.382 3.536 20 30 CHEDHN CC(C)c1ccc(C[C@@H](C)NCc2nc(C#N)cs2)cc1 ZINC000564410201 1128507455 /nfs/dbraw/zinc/50/74/55/1128507455.db2.gz KKLCFRFOMWSPAB-CYBMUJFWSA-N 0 3 299.443 3.859 20 30 CHEDHN Cc1cc(OCc2ccc(C#N)cc2F)c(C)c(C)n1 ZINC000565630251 1128529910 /nfs/dbraw/zinc/52/99/10/1128529910.db2.gz GVAJWRBWGKLBQO-UHFFFAOYSA-N 0 3 270.307 3.597 20 30 CHEDHN CC(C)[C@@H]1C[C@@H](CNC[C@@H](C#N)CCC#N)c2ccccc21 ZINC000565827259 1128533884 /nfs/dbraw/zinc/53/38/84/1128533884.db2.gz CHPDNFIDARRMFM-GJYPPUQNSA-N 0 3 295.430 3.947 20 30 CHEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154715649 1128543444 /nfs/dbraw/zinc/54/34/44/1128543444.db2.gz FPRNMGJNNWGZBR-KRWDZBQOSA-N 0 3 287.428 3.860 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1C ZINC000566823024 1128552368 /nfs/dbraw/zinc/55/23/68/1128552368.db2.gz HAQSGXDRTCBKAW-OAHLLOKOSA-N 0 3 275.392 3.553 20 30 CHEDHN C=CCC(C)(C)CN[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000556218643 1128565980 /nfs/dbraw/zinc/56/59/80/1128565980.db2.gz XSVZVGDXCBSUQL-AWEZNQCLSA-N 0 3 298.434 3.829 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000569634718 1128606293 /nfs/dbraw/zinc/60/62/93/1128606293.db2.gz ZOABFODWIOZIRX-UHFFFAOYSA-N 0 3 273.298 3.809 20 30 CHEDHN CC(C)(C#N)CCN1CCC[C@H]1c1cccc(F)c1 ZINC000131213631 1128610148 /nfs/dbraw/zinc/61/01/48/1128610148.db2.gz HJQSPPMHOPDJSJ-HNNXBMFYSA-N 0 3 260.356 3.902 20 30 CHEDHN CC#CCCNCc1cc(C(F)(F)F)ccc1Cl ZINC000499214024 1128661255 /nfs/dbraw/zinc/66/12/55/1128661255.db2.gz ODSDXZMCXBAKFM-UHFFFAOYSA-N 0 3 275.701 3.862 20 30 CHEDHN N#CC(C(=O)CC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000046706232 1128663936 /nfs/dbraw/zinc/66/39/36/1128663936.db2.gz YZYQMGYWGPOMBH-ZDUSSCGKSA-N 0 3 281.359 3.710 20 30 CHEDHN CC(C)CN(CCC#N)CCCc1cccc(F)c1 ZINC000778947342 1128671027 /nfs/dbraw/zinc/67/10/27/1128671027.db2.gz VHIFIRGWAARASO-UHFFFAOYSA-N 0 3 262.372 3.630 20 30 CHEDHN COc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000601267009 1128707159 /nfs/dbraw/zinc/70/71/59/1128707159.db2.gz SQTOKBXXTUXOLV-BFUOFWGJSA-N 0 3 292.382 3.905 20 30 CHEDHN N#CC1(CN[C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000578076249 1128705740 /nfs/dbraw/zinc/70/57/40/1128705740.db2.gz BQQSSVIDXBUGKQ-IAGOWNOFSA-N 0 3 268.404 3.996 20 30 CHEDHN N#CC(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccn1 ZINC000049458242 1117749888 /nfs/dbraw/zinc/74/98/88/1117749888.db2.gz HPXCWXKHVBXDDA-WOPDTQHZSA-N 0 3 296.292 3.627 20 30 CHEDHN CN(Cc1cc(F)cc(C#N)c1)[C@H]1CCc2ccccc21 ZINC001139879005 1117754466 /nfs/dbraw/zinc/75/44/66/1117754466.db2.gz DOPDNUCRDVJXPJ-SFHVURJKSA-N 0 3 280.346 3.817 20 30 CHEDHN CN(CC#Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000671246891 1117784676 /nfs/dbraw/zinc/78/46/76/1117784676.db2.gz RYJQEVHGEFVLGV-UHFFFAOYSA-N 0 3 263.384 3.905 20 30 CHEDHN N#CC1CCC(=Nc2cc3nsnc3cc2Cl)CC1 ZINC001212867373 1128737786 /nfs/dbraw/zinc/73/77/86/1128737786.db2.gz VWKAJDSAWBZFOL-QMMMGPOBSA-N 0 3 290.779 3.964 20 30 CHEDHN C=CC(C)(C)CCNCc1nccn1-c1ccccc1 ZINC000623593122 1117876531 /nfs/dbraw/zinc/87/65/31/1117876531.db2.gz UNMNYELOUCKQJE-UHFFFAOYSA-N 0 3 269.392 3.564 20 30 CHEDHN Cc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ccc1F ZINC000237577250 1128743883 /nfs/dbraw/zinc/74/38/83/1128743883.db2.gz WETYDQXFEQMXOV-CQSZACIVSA-N 0 3 298.361 3.715 20 30 CHEDHN C=CCCCN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623974983 1117965465 /nfs/dbraw/zinc/96/54/65/1117965465.db2.gz VVVZIJQOQOQRSB-AWEZNQCLSA-N 0 3 269.392 3.704 20 30 CHEDHN CN(CCc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC001208926131 1117968291 /nfs/dbraw/zinc/96/82/91/1117968291.db2.gz BYRFPLBRGRLIKY-UHFFFAOYSA-N 0 3 284.790 3.886 20 30 CHEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000165214733 1117992146 /nfs/dbraw/zinc/99/21/46/1117992146.db2.gz MKLKCGVFEHWICV-CQSZACIVSA-N 0 3 275.355 3.589 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)cc2C)cc1 ZINC000165339431 1118012371 /nfs/dbraw/zinc/01/23/71/1118012371.db2.gz XIZFVAJTOHQHLV-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C=CCCCN[C@@H](COCC(C)C)c1ccco1 ZINC000184211443 1118052802 /nfs/dbraw/zinc/05/28/02/1118052802.db2.gz WUIYFCQKGDUTCF-AWEZNQCLSA-N 0 3 251.370 3.549 20 30 CHEDHN C=CCCCCCCCCN1C[C@H](F)C[C@H](CO)C1 ZINC001209443185 1118060334 /nfs/dbraw/zinc/06/03/34/1118060334.db2.gz NZCKSJJSNUXWDZ-JKSUJKDBSA-N 0 3 271.420 3.555 20 30 CHEDHN CCn1c(C)cc2c1CCC[C@@H]2NCc1csc(C#N)c1 ZINC000921640816 1118263569 /nfs/dbraw/zinc/26/35/69/1118263569.db2.gz NDCRUUFBQHCHAY-INIZCTEOSA-N 0 3 299.443 3.917 20 30 CHEDHN N#CCCN[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000449285775 1118271059 /nfs/dbraw/zinc/27/10/59/1118271059.db2.gz FVMHSODBIVTBJP-UKRRQHHQSA-N 0 3 262.784 3.554 20 30 CHEDHN CCCCCCC[C@H](C)CNCc1nc(C)c[nH]1 ZINC001648889088 1118271847 /nfs/dbraw/zinc/27/18/47/1118271847.db2.gz GMABJFDAWORPCC-ZDUSSCGKSA-N 0 3 251.418 3.804 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCC(OC2CCCC2)CC1 ZINC000186192848 1118286067 /nfs/dbraw/zinc/28/60/67/1118286067.db2.gz LRHUIEYAQHZGFQ-UHFFFAOYSA-N 0 3 298.430 3.790 20 30 CHEDHN C[C@@H](NCc1ccc2c(c1)CCC2)c1cccc(C#N)c1 ZINC000610344658 1118338274 /nfs/dbraw/zinc/33/82/74/1118338274.db2.gz DAXNYBCIDRKADN-CQSZACIVSA-N 0 3 276.383 3.898 20 30 CHEDHN N#Cc1ccc(CN2C3CCCC2CCC3)c(F)c1 ZINC000610370171 1118362555 /nfs/dbraw/zinc/36/25/55/1118362555.db2.gz YMPWNRVKOZDYKX-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN N#Cc1ccc(F)c(CN2C3CCCC2CCC3)c1 ZINC000610370162 1118362825 /nfs/dbraw/zinc/36/28/25/1118362825.db2.gz ZNGAZIBERNYDLZ-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN CN(CCC(C)(C)C#N)Cc1ccc(Br)cc1 ZINC000087595231 1118377514 /nfs/dbraw/zinc/37/75/14/1118377514.db2.gz AGMGTHMHZSCICM-UHFFFAOYSA-N 0 3 295.224 3.821 20 30 CHEDHN C[C@H]1CC(=O)C=C(Nc2ccccc2CN2CCCCC2)C1 ZINC001210774457 1118380986 /nfs/dbraw/zinc/38/09/86/1118380986.db2.gz BQOMSBWDYNYUHR-OAHLLOKOSA-N 0 3 298.430 3.967 20 30 CHEDHN C=CC[C@@H](C)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001167360240 1118390285 /nfs/dbraw/zinc/39/02/85/1118390285.db2.gz KKCSORGTYAQKLD-ZIAGYGMSSA-N 0 3 294.389 3.608 20 30 CHEDHN N#Cc1cc(F)cc(CN2C3CCCC2CCC3)c1 ZINC000706929518 1118571282 /nfs/dbraw/zinc/57/12/82/1118571282.db2.gz QTQQMWJHUBRGCX-UHFFFAOYSA-N 0 3 258.340 3.604 20 30 CHEDHN C=CCc1cc(C[N@@H+](C)C[C@H](C)CC)c([O-])c(OC)c1 ZINC000754726580 1118646561 /nfs/dbraw/zinc/64/65/61/1118646561.db2.gz SRBGGAWWNCFKEY-CYBMUJFWSA-N 0 3 277.408 3.607 20 30 CHEDHN C=CCc1cc(C[N@H+](C)C[C@H](C)CC)c([O-])c(OC)c1 ZINC000754726580 1118646562 /nfs/dbraw/zinc/64/65/62/1118646562.db2.gz SRBGGAWWNCFKEY-CYBMUJFWSA-N 0 3 277.408 3.607 20 30 CHEDHN CC(C)(C)N(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000157361822 1118649423 /nfs/dbraw/zinc/64/94/23/1118649423.db2.gz POGZNKIEIUGYQX-UHFFFAOYSA-N 0 3 268.360 3.952 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000126772760 1118677453 /nfs/dbraw/zinc/67/74/53/1118677453.db2.gz NZBIAEPNMLMEMS-INIZCTEOSA-N 0 3 272.417 3.942 20 30 CHEDHN CC1(C)C[C@H](NCC2(CC#N)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000430726885 1118765236 /nfs/dbraw/zinc/76/52/36/1118765236.db2.gz WLTSNBUYIRQHJG-HNNXBMFYSA-N 0 3 299.374 3.601 20 30 CHEDHN Cc1ccc2c(c1)CCN(Cc1ccc(C#N)cc1C)C2 ZINC000616784875 1128799729 /nfs/dbraw/zinc/79/97/29/1128799729.db2.gz ZTQMLVVUTWIPQI-UHFFFAOYSA-N 0 3 276.383 3.733 20 30 CHEDHN C=CCOc1ccc(CN2CC(C)=C[C@@H](C)C2)cc1OC ZINC000430862608 1118779458 /nfs/dbraw/zinc/77/94/58/1118779458.db2.gz FANCCCSKJRSHKV-CQSZACIVSA-N 0 3 287.403 3.658 20 30 CHEDHN CCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000176101524 1118798536 /nfs/dbraw/zinc/79/85/36/1118798536.db2.gz BQUQBLVMFYGMFS-NSHDSACASA-N 0 3 268.316 3.584 20 30 CHEDHN C=CC[C@@H](C)NCc1cc(F)ccc1Br ZINC000121601914 1118798635 /nfs/dbraw/zinc/79/86/35/1118798635.db2.gz UWEOZDFJJUGQNY-SECBINFHSA-N 0 3 272.161 3.642 20 30 CHEDHN C=CCOc1ccc(CN(C)Cc2cccc(OC)c2)cc1 ZINC000535775497 1118884456 /nfs/dbraw/zinc/88/44/56/1118884456.db2.gz AOVWUJPKHUIFRS-UHFFFAOYSA-N 0 3 297.398 3.892 20 30 CHEDHN C=CCCCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000448027402 1118918532 /nfs/dbraw/zinc/91/85/32/1118918532.db2.gz MUOLTMOSEUXGML-KRWDZBQOSA-N 0 3 270.351 3.866 20 30 CHEDHN N#Cc1cc(CN(C2CC2)[C@H]2CCc3ccccc32)ccn1 ZINC000610993057 1118919193 /nfs/dbraw/zinc/91/91/93/1118919193.db2.gz BPGNYQOSWYFSAW-IBGZPJMESA-N 0 3 289.382 3.605 20 30 CHEDHN CC(C)c1cnc(CNCC(C)(C)CCC#N)s1 ZINC000342294454 1118969250 /nfs/dbraw/zinc/96/92/50/1118969250.db2.gz POKGWNAHEVCYGM-UHFFFAOYSA-N 0 3 265.426 3.686 20 30 CHEDHN CC(C)Oc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000051401087 1118995639 /nfs/dbraw/zinc/99/56/39/1118995639.db2.gz WUPGIRIQIKLESU-UHFFFAOYSA-N 0 3 294.398 3.977 20 30 CHEDHN CC(C)[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162933159 1119021405 /nfs/dbraw/zinc/02/14/05/1119021405.db2.gz FKZOTXKHTBJBPZ-CYBMUJFWSA-N 0 3 262.784 3.690 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)NCc1nccn1C(C)C ZINC000657496020 1119131825 /nfs/dbraw/zinc/13/18/25/1119131825.db2.gz NDEJETLWKRGWKJ-KRWDZBQOSA-N 0 3 283.419 3.741 20 30 CHEDHN C=C(CN[C@@H]1CCCc2cccnc21)c1ccccc1 ZINC000684956291 1119142305 /nfs/dbraw/zinc/14/23/05/1119142305.db2.gz XCZQGIOUPAZBFL-QGZVFWFLSA-N 0 3 264.372 3.762 20 30 CHEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000934649129 1119214953 /nfs/dbraw/zinc/21/49/53/1119214953.db2.gz LAUNNANOMJKTAP-GFCCVEGCSA-N 0 3 296.361 3.580 20 30 CHEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000934649130 1119215720 /nfs/dbraw/zinc/21/57/20/1119215720.db2.gz LAUNNANOMJKTAP-LBPRGKRZSA-N 0 3 296.361 3.580 20 30 CHEDHN CC[C@@H](NC[C@H](C#N)CCC#N)C(C)(C)c1ccccc1 ZINC000583626350 1119386599 /nfs/dbraw/zinc/38/65/99/1119386599.db2.gz OCJGSTADKHTPKP-DOTOQJQBSA-N 0 3 283.419 3.776 20 30 CHEDHN Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000583722675 1119401286 /nfs/dbraw/zinc/40/12/86/1119401286.db2.gz IHJSGELDEMQOSH-SFHVURJKSA-N 0 3 280.346 3.783 20 30 CHEDHN C=CC[C@@H](CC)N[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000343511161 1119438716 /nfs/dbraw/zinc/43/87/16/1119438716.db2.gz SUKBYJPXFXBMEZ-UKRRQHHQSA-N 0 3 284.407 3.581 20 30 CHEDHN CN(Cc1ccc(Cl)cc1C#N)C1CCCCC1 ZINC000480530223 1119592124 /nfs/dbraw/zinc/59/21/24/1119592124.db2.gz SJPDFRQDKQXLEG-UHFFFAOYSA-N 0 3 262.784 3.976 20 30 CHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000658334814 1119725353 /nfs/dbraw/zinc/72/53/53/1119725353.db2.gz FFTUIWPTOKLJDP-DZGCQCFKSA-N 0 3 291.460 3.919 20 30 CHEDHN CC(C)c1ccc(CNCC#Cc2ccccc2)cc1 ZINC000051814398 1119740375 /nfs/dbraw/zinc/74/03/75/1119740375.db2.gz CJRIEEYTHRLESX-UHFFFAOYSA-N 0 3 263.384 3.951 20 30 CHEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccccc1OC ZINC000414158837 1119919782 /nfs/dbraw/zinc/91/97/82/1119919782.db2.gz ANSINXZADKHXJG-CQSZACIVSA-N 0 3 260.381 3.676 20 30 CHEDHN CC[C@H](NCC(C)(C)CC#N)c1cc(F)ccc1F ZINC000414162756 1119922091 /nfs/dbraw/zinc/92/20/91/1119922091.db2.gz HQVRKXOEYSKDNI-AWEZNQCLSA-N 0 3 266.335 3.945 20 30 CHEDHN COc1ccc(Cl)cc1[C@H](C)NCC(C)(C)CC#N ZINC000414166621 1119923910 /nfs/dbraw/zinc/92/39/10/1119923910.db2.gz NZJYNXJJHDUROI-NSHDSACASA-N 0 3 280.799 3.939 20 30 CHEDHN CC(C)(CC#N)CN[C@@H]1CCSc2c(F)cccc21 ZINC000414175779 1119927222 /nfs/dbraw/zinc/92/72/22/1119927222.db2.gz ZRHRCLBLDXMBOV-CYBMUJFWSA-N 0 3 278.396 3.892 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(C3CC3)cc2)n1 ZINC000659010684 1119989334 /nfs/dbraw/zinc/98/93/34/1119989334.db2.gz WLLQNGCBCUGOIB-AWEZNQCLSA-N 0 3 282.368 3.819 20 30 CHEDHN C=CC[C@@H]1N(Cc2nc(C)oc2C)CCCC1(C)C ZINC000660423501 1120054219 /nfs/dbraw/zinc/05/42/19/1120054219.db2.gz RRSLJDAPTDJSMZ-HNNXBMFYSA-N 0 3 262.397 3.858 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1cc2cnccc2o1 ZINC000926811936 1120063170 /nfs/dbraw/zinc/06/31/70/1120063170.db2.gz ISKNAXZUGSOHJS-VXGBXAGGSA-N 0 3 271.364 3.807 20 30 CHEDHN C[C@H](CNCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000589174710 1120065922 /nfs/dbraw/zinc/06/59/22/1120065922.db2.gz WYYLLELVDQFRMM-LLVKDONJSA-N 0 3 284.325 3.948 20 30 CHEDHN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000301067752 1120129108 /nfs/dbraw/zinc/12/91/08/1120129108.db2.gz KIXCXJDCVNOETI-KRWDZBQOSA-N 0 3 295.386 3.790 20 30 CHEDHN C=CC[C@@H](C)NCc1nc(-c2cccc(OC)c2)cs1 ZINC000892950012 1120177208 /nfs/dbraw/zinc/17/72/08/1120177208.db2.gz KDYKYJIKSRIUIN-GFCCVEGCSA-N 0 3 288.416 3.873 20 30 CHEDHN CC(C)Oc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000040443741 1120182076 /nfs/dbraw/zinc/18/20/76/1120182076.db2.gz JXBKNQSAUCWZCQ-UHFFFAOYSA-N 0 3 280.371 3.635 20 30 CHEDHN N#Cc1ccc(CN2CCC3(CCCC3)CC2)cc1F ZINC000361824551 1120192687 /nfs/dbraw/zinc/19/26/87/1120192687.db2.gz DXGDTFDUKBNVDN-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN C=CC[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccncc1 ZINC000921748643 1120196528 /nfs/dbraw/zinc/19/65/28/1120196528.db2.gz YZPWKHXHBWCRQW-KSSFIOAISA-N 0 3 294.398 3.812 20 30 CHEDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1cccc(C#N)c1 ZINC000921803212 1120220316 /nfs/dbraw/zinc/22/03/16/1120220316.db2.gz NVTZYHRUJIRQBC-AWEZNQCLSA-N 0 3 292.382 3.734 20 30 CHEDHN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000618194405 1128900366 /nfs/dbraw/zinc/90/03/66/1128900366.db2.gz DPNKORPIMMVETJ-CQSZACIVSA-N 0 3 275.355 3.589 20 30 CHEDHN C[C@H]1CCC[C@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000341224765 1120246438 /nfs/dbraw/zinc/24/64/38/1120246438.db2.gz PSAONJQXZGJKCU-HOCLYGCPSA-N 0 3 281.403 3.821 20 30 CHEDHN N#Cc1ccccc1CN1CCC2(CCCC2)CC1 ZINC000062953859 1120256815 /nfs/dbraw/zinc/25/68/15/1120256815.db2.gz QXDKEXIGCPLXKG-UHFFFAOYSA-N 0 3 254.377 3.714 20 30 CHEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccccc2C#N)C1 ZINC000076069625 1120275638 /nfs/dbraw/zinc/27/56/38/1120275638.db2.gz PWVWTDCGTSMSFI-HZPDHXFCSA-N 0 3 274.433 3.664 20 30 CHEDHN CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccncc1 ZINC000181805984 1128904976 /nfs/dbraw/zinc/90/49/76/1128904976.db2.gz WUCRJYBEIZDTCQ-KDOFPFPSSA-N 0 3 295.386 3.786 20 30 CHEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)[C@@H](C)C2 ZINC000181147766 1120289931 /nfs/dbraw/zinc/28/99/31/1120289931.db2.gz VDXWSZYSEABNQY-SJCJKPOMSA-N 0 3 282.412 3.951 20 30 CHEDHN C=CCCCN(C)Cc1cc(-c2ccccc2)no1 ZINC000076737562 1120294347 /nfs/dbraw/zinc/29/43/47/1120294347.db2.gz FJICOGKJJSVJBL-UHFFFAOYSA-N 0 3 256.349 3.740 20 30 CHEDHN C=CCN(CCc1ccccc1)[C@H](C)c1ccccn1 ZINC000584710902 1120417511 /nfs/dbraw/zinc/41/75/11/1120417511.db2.gz HPOFYWGJQROTLH-MRXNPFEDSA-N 0 3 266.388 3.873 20 30 CHEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000011470494 1120453145 /nfs/dbraw/zinc/45/31/45/1120453145.db2.gz XDAFLBJQNXQJCS-YOEHRIQHSA-N 0 3 272.367 3.852 20 30 CHEDHN CC(C)(C)c1cc(Nc2ccc(N)c(C#N)c2)ccn1 ZINC001213431403 1120486924 /nfs/dbraw/zinc/48/69/24/1120486924.db2.gz QSFXHADHHDVPAT-UHFFFAOYSA-N 0 3 266.348 3.577 20 30 CHEDHN CCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccn1 ZINC000618567916 1128919872 /nfs/dbraw/zinc/91/98/72/1128919872.db2.gz IRGZPHLUNGJXDH-YCPHGPKFSA-N 0 3 257.381 3.595 20 30 CHEDHN CCc1cccc2c1OCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000618571741 1128920354 /nfs/dbraw/zinc/92/03/54/1128920354.db2.gz UEEBWQHZXDHSDO-UNEWFSDZSA-N 0 3 284.403 3.745 20 30 CHEDHN CCc1cccc2c1OCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000618571740 1128920673 /nfs/dbraw/zinc/92/06/73/1128920673.db2.gz UEEBWQHZXDHSDO-QRTARXTBSA-N 0 3 284.403 3.745 20 30 CHEDHN N#CC(C(=O)[C@@H]1CC12CCC2)c1ccc2ccccc2n1 ZINC000759815908 1120553754 /nfs/dbraw/zinc/55/37/54/1120553754.db2.gz VBSZOLGIJTWKSC-KGLIPLIRSA-N 0 3 276.339 3.601 20 30 CHEDHN CCc1nc(CNC(C)(C)Cc2ccc(C#N)cc2)cs1 ZINC000922599707 1120561049 /nfs/dbraw/zinc/56/10/49/1120561049.db2.gz KNKSXGIBZNWBJI-UHFFFAOYSA-N 0 3 299.443 3.688 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(SC)CC2)c([O-])c1 ZINC000193256802 1120567740 /nfs/dbraw/zinc/56/77/40/1120567740.db2.gz BEYFURNSKQIFGO-GZTJUZNOSA-N 0 3 292.448 3.553 20 30 CHEDHN N#Cc1cccc(CNCc2cccc(C3CC3)c2)c1 ZINC000094519104 1120580846 /nfs/dbraw/zinc/58/08/46/1120580846.db2.gz DAVPFXLDLHCXBL-UHFFFAOYSA-N 0 3 262.356 3.725 20 30 CHEDHN C=CCCN[C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856776684 1120589853 /nfs/dbraw/zinc/58/98/53/1120589853.db2.gz HTJZYZUIHYWKAR-QMMMGPOBSA-N 0 3 278.705 3.981 20 30 CHEDHN C[C@@H]1C[C@@]1(NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000500393355 1120605533 /nfs/dbraw/zinc/60/55/33/1120605533.db2.gz BCXUWCIVFQLGCF-PXAZEXFGSA-N 0 3 299.805 3.575 20 30 CHEDHN COc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618802449 1128937928 /nfs/dbraw/zinc/93/79/28/1128937928.db2.gz KMOOJVNFRSABHP-ORAYPTAESA-N 0 3 292.382 3.905 20 30 CHEDHN C=CCN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429157520 1120690455 /nfs/dbraw/zinc/69/04/55/1120690455.db2.gz VKMGFIDABYCMDG-ZDUSSCGKSA-N 0 3 253.798 3.692 20 30 CHEDHN CCCCS[C@@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000125059775 1120693946 /nfs/dbraw/zinc/69/39/46/1120693946.db2.gz IVVRAUYOFKYJHU-WDEREUQCSA-N 0 3 282.434 3.550 20 30 CHEDHN CC[C@H](C)CN(C)Cc1ccc(C#N)cc1Cl ZINC000162865559 1120694928 /nfs/dbraw/zinc/69/49/28/1120694928.db2.gz ZWGXNDZVLAEONR-NSHDSACASA-N 0 3 250.773 3.690 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(-c2ccoc2)no1 ZINC000661116378 1120721376 /nfs/dbraw/zinc/72/13/76/1120721376.db2.gz JKKSVYBMPQTKPR-JSGCOSHPSA-N 0 3 287.363 3.554 20 30 CHEDHN CO[C@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)cc1F ZINC000618795247 1128939319 /nfs/dbraw/zinc/93/93/19/1128939319.db2.gz LNMCSTVUYJJXSU-UGSOOPFHSA-N 0 3 298.361 3.563 20 30 CHEDHN C=CCN(CCOc1ccccc1C(C)=O)C(C)(C)C ZINC000661755946 1120808839 /nfs/dbraw/zinc/80/88/39/1120808839.db2.gz WEJUFDUIKSNKGA-UHFFFAOYSA-N 0 3 275.392 3.555 20 30 CHEDHN C=CCCCCCN[C@@H](CC)c1nnc2n1CCCCC2 ZINC000661941215 1120842512 /nfs/dbraw/zinc/84/25/12/1120842512.db2.gz MCNYJZKLONHZIB-HNNXBMFYSA-N 0 3 290.455 3.792 20 30 CHEDHN C[C@H](CCC#N)CN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000618887220 1128948250 /nfs/dbraw/zinc/94/82/50/1128948250.db2.gz MHANKASQMQVERH-RHSMWYFYSA-N 0 3 296.418 3.650 20 30 CHEDHN CC(C)[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000343919299 1120964368 /nfs/dbraw/zinc/96/43/68/1120964368.db2.gz CCCMLJOKSBUQGO-KRWDZBQOSA-N 0 3 281.403 3.821 20 30 CHEDHN COc1ccc([C@@H](C)N(C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000191865546 1128958405 /nfs/dbraw/zinc/95/84/05/1128958405.db2.gz VJJDKLVHXZQILK-CYBMUJFWSA-N 0 3 298.361 3.899 20 30 CHEDHN CN(Cc1cn2ccccc2c1C#N)C[C@H]1CC=CCC1 ZINC000344031191 1121057395 /nfs/dbraw/zinc/05/73/95/1121057395.db2.gz COYMGRWGXUCCQF-HNNXBMFYSA-N 0 3 279.387 3.599 20 30 CHEDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000076067574 1121141956 /nfs/dbraw/zinc/14/19/56/1121141956.db2.gz XKHCUNFYWGIJDY-GJZGRUSLSA-N 0 3 292.423 3.803 20 30 CHEDHN COc1ccc(CN[C@H]2CCCc3ccccc32)cc1C#N ZINC000172688328 1121160172 /nfs/dbraw/zinc/16/01/72/1121160172.db2.gz LOWIRBNELXLPRR-SFHVURJKSA-N 0 3 292.382 3.734 20 30 CHEDHN C=CC(C)(C)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000701849206 1121173137 /nfs/dbraw/zinc/17/31/37/1121173137.db2.gz OAUVQWOWSFPRKW-LLVKDONJSA-N 0 3 251.345 3.784 20 30 CHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000078878093 1128971509 /nfs/dbraw/zinc/97/15/09/1128971509.db2.gz PINZQTLYQRTBPF-OAHLLOKOSA-N 0 3 292.382 3.974 20 30 CHEDHN CN(CCCCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC001175249628 1121247280 /nfs/dbraw/zinc/24/72/80/1121247280.db2.gz HIWVACQOVCMBGD-SJORKVTESA-N 0 3 256.393 3.633 20 30 CHEDHN C=C(Br)CN1CCCC[C@H]1CC(C)C ZINC001167896822 1121256763 /nfs/dbraw/zinc/25/67/63/1121256763.db2.gz BMGPKDSZIWQDLC-LBPRGKRZSA-N 0 3 260.219 3.796 20 30 CHEDHN CSc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000042365516 1121301905 /nfs/dbraw/zinc/30/19/05/1121301905.db2.gz YAXSTBRUWNFLBX-UHFFFAOYSA-N 0 3 282.412 3.912 20 30 CHEDHN C=CCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000512541921 1121423302 /nfs/dbraw/zinc/42/33/02/1121423302.db2.gz JHDXLUAYSGJYRZ-UHFFFAOYSA-N 0 3 292.382 3.721 20 30 CHEDHN Cc1cccc(CN(C)Cc2ccc(C#N)c(F)c2)c1C ZINC000428736464 1121474356 /nfs/dbraw/zinc/47/43/56/1121474356.db2.gz HPEKBERBJGIPRE-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428739943 1121496675 /nfs/dbraw/zinc/49/66/75/1121496675.db2.gz SNMAGLFWUKNHKH-BYCMXARLSA-N 0 3 276.330 3.596 20 30 CHEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1cccnc1 ZINC000614179157 1121505313 /nfs/dbraw/zinc/50/53/13/1121505313.db2.gz GBTKFKDTXXJQOU-AWEZNQCLSA-N 0 3 279.387 3.734 20 30 CHEDHN C[C@@H](C#N)CNC[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000543624569 1121530866 /nfs/dbraw/zinc/53/08/66/1121530866.db2.gz ULCHFIIRCYMDDU-GJZGRUSLSA-N 0 3 272.436 3.912 20 30 CHEDHN C=C(C)CCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000509358011 1121547022 /nfs/dbraw/zinc/54/70/22/1121547022.db2.gz NDGPFFOBPUXAGQ-SFHVURJKSA-N 0 3 294.398 3.922 20 30 CHEDHN C#CCN(C[C@@H]1CC[C@H](C)O1)[C@@H]1CCCc2ccccc21 ZINC001176454045 1121633517 /nfs/dbraw/zinc/63/35/17/1121633517.db2.gz YJZLLHWLUXKEBY-VDZJLULYSA-N 0 3 283.415 3.567 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000611300380 1121636455 /nfs/dbraw/zinc/63/64/55/1121636455.db2.gz XGWYNKHITVGCQA-DZGCQCFKSA-N 0 3 279.387 3.982 20 30 CHEDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000611300383 1121636657 /nfs/dbraw/zinc/63/66/57/1121636657.db2.gz XGWYNKHITVGCQA-ZFWWWQNUSA-N 0 3 279.387 3.982 20 30 CHEDHN COCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000611389377 1121642305 /nfs/dbraw/zinc/64/23/05/1121642305.db2.gz VAKSTKFVRFDFBW-HNAYVOBHSA-N 0 3 294.398 3.987 20 30 CHEDHN CC(C)C[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000611376618 1121642484 /nfs/dbraw/zinc/64/24/84/1121642484.db2.gz ZRYKTYPBIFQXQQ-GOSISDBHSA-N 0 3 279.387 3.830 20 30 CHEDHN CCc1ccc(C(C)(C)NCc2ccnc(C#N)c2)cc1 ZINC000611398124 1121643287 /nfs/dbraw/zinc/64/32/87/1121643287.db2.gz KWGXWMLQMOHTOC-UHFFFAOYSA-N 0 3 279.387 3.541 20 30 CHEDHN Cc1ccccc1[C@H](NCc1ccnc(C#N)c1)C(C)C ZINC000611394066 1121643415 /nfs/dbraw/zinc/64/34/15/1121643415.db2.gz BPIGDSYGWSGVFX-GOSISDBHSA-N 0 3 279.387 3.749 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(C#N)c1 ZINC000611465809 1121650281 /nfs/dbraw/zinc/65/02/81/1121650281.db2.gz UYVHTSWDGZSHRL-OLZOCXBDSA-N 0 3 293.345 3.981 20 30 CHEDHN N#Cc1cc(CN[C@@H](CC2CCC2)c2ccccc2)ccn1 ZINC000611502637 1121652108 /nfs/dbraw/zinc/65/21/08/1121652108.db2.gz WOSJUDRMIAUDET-IBGZPJMESA-N 0 3 291.398 3.974 20 30 CHEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000619671994 1129003472 /nfs/dbraw/zinc/00/34/72/1129003472.db2.gz GYGNLEHGBUOFIN-ZBFHGGJFSA-N 0 3 293.370 3.656 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCCc2sccc2C1 ZINC000614398102 1121707941 /nfs/dbraw/zinc/70/79/41/1121707941.db2.gz IICOQFJHANDIQA-UHFFFAOYSA-N 0 3 282.412 3.877 20 30 CHEDHN Cc1cc(C#N)ccc1CN1Cc2ccccc2C[C@H]1C ZINC000614400823 1121709262 /nfs/dbraw/zinc/70/92/62/1121709262.db2.gz HKACPEBFSLCBHB-OAHLLOKOSA-N 0 3 276.383 3.814 20 30 CHEDHN CC(C)c1cccc(NC(=O)C(C#N)Cc2cccs2)n1 ZINC001177903049 1121755544 /nfs/dbraw/zinc/75/55/44/1121755544.db2.gz DOKBKEDOZMPBPN-LBPRGKRZSA-N 0 3 299.399 3.587 20 30 CHEDHN C[C@H](COCC1CCCCC1)NCc1csc(C#N)c1 ZINC001179642811 1121897238 /nfs/dbraw/zinc/89/72/38/1121897238.db2.gz YEWSRGGOSKMYJC-CYBMUJFWSA-N 0 3 292.448 3.695 20 30 CHEDHN COc1cc(C#N)ccc1CN(Cc1ccccc1)C(C)C ZINC000501267226 1121966889 /nfs/dbraw/zinc/96/68/89/1121966889.db2.gz SBBWOAKCTDSPRQ-UHFFFAOYSA-N 0 3 294.398 3.977 20 30 CHEDHN C=CCC[C@@H](CC)N[C@H]1COc2cc(F)cc(F)c21 ZINC001180821169 1122016527 /nfs/dbraw/zinc/01/65/27/1122016527.db2.gz WPMWBDKVJWLVKG-YPMHNXCESA-N 0 3 267.319 3.733 20 30 CHEDHN C=CCCN(C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC001180905609 1122022922 /nfs/dbraw/zinc/02/29/22/1122022922.db2.gz HAIIJGUDEHRPGH-UHFFFAOYSA-N 0 3 281.421 3.711 20 30 CHEDHN CCCCCCC[C@@H](C)C(=O)N[C@@]1(C)CCCN(C)C1 ZINC001181133691 1122038167 /nfs/dbraw/zinc/03/81/67/1122038167.db2.gz XULMPDPVJCCJQK-WBVHZDCISA-N 0 3 282.472 3.584 20 30 CHEDHN C#C[C@H](NC[C@H]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC001182019668 1122106109 /nfs/dbraw/zinc/10/61/09/1122106109.db2.gz ANKZYMALJATROO-ZQIUZPCESA-N 0 3 259.368 3.916 20 30 CHEDHN C#C[C@H](NC[C@@H]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC001182019667 1122106353 /nfs/dbraw/zinc/10/63/53/1122106353.db2.gz ANKZYMALJATROO-VBQJREDUSA-N 0 3 259.368 3.916 20 30 CHEDHN Cc1cc(F)cc2c1CN(CCCC(C)(C)C#N)CC2 ZINC000502917214 1122157397 /nfs/dbraw/zinc/15/73/97/1122157397.db2.gz BJGCRFNKZATTST-UHFFFAOYSA-N 0 3 274.383 3.822 20 30 CHEDHN C#C[C@@H]1CCCN(CCCc2c(F)cccc2Cl)C1 ZINC001182605443 1122180302 /nfs/dbraw/zinc/18/03/02/1122180302.db2.gz TXADNRLZDUWLHA-CYBMUJFWSA-N 0 3 279.786 3.757 20 30 CHEDHN CCCCCCCCC[C@@H](C)N1CC[C@@H](O)[C@@H](F)C1 ZINC001258228645 1129038862 /nfs/dbraw/zinc/03/88/62/1129038862.db2.gz JBYBRHSGNCBEBG-OWCLPIDISA-N 0 3 273.436 3.920 20 30 CHEDHN C[C@H]1c2sccc2CCN1Cc1ccc(CC#N)cc1 ZINC000711898596 1122364141 /nfs/dbraw/zinc/36/41/41/1122364141.db2.gz CUVPMVNVELZYHF-ZDUSSCGKSA-N 0 3 282.412 3.933 20 30 CHEDHN C=CCN(C[C@@H](OC)c1ccc(Cl)cc1)C1CC1 ZINC000514137347 1122381376 /nfs/dbraw/zinc/38/13/76/1122381376.db2.gz FIHMQLAGGWSUBC-OAHLLOKOSA-N 0 3 265.784 3.678 20 30 CHEDHN C[C@H](CC(F)(F)F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000838791010 1122435487 /nfs/dbraw/zinc/43/54/87/1122435487.db2.gz NTXLSYXUQPBJFJ-RKDXNWHRSA-N 0 3 296.248 3.593 20 30 CHEDHN C=CCc1cc(CN[C@H](C)c2ccccc2)cc(OC)c1O ZINC000076274869 1122475024 /nfs/dbraw/zinc/47/50/24/1122475024.db2.gz CSJAMGJAVHSLTH-CQSZACIVSA-N 0 3 297.398 3.980 20 30 CHEDHN C#CC[C@H](NCc1ccccc1N(C)C)c1ccccc1 ZINC000775399440 1122545127 /nfs/dbraw/zinc/54/51/27/1122545127.db2.gz RIPTVSUKAXEAPQ-SFHVURJKSA-N 0 3 278.399 3.607 20 30 CHEDHN C[C@@]1(c2ccccc2)CCCN(Cc2cc(C#N)ccn2)C1 ZINC001190944650 1122561360 /nfs/dbraw/zinc/56/13/60/1122561360.db2.gz OTHLQPZMFFEPOO-LJQANCHMSA-N 0 3 291.398 3.507 20 30 CHEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC001192859231 1122660676 /nfs/dbraw/zinc/66/06/76/1122660676.db2.gz QFCHBJVBCHFKBY-VXGBXAGGSA-N 0 3 280.209 3.902 20 30 CHEDHN N#CCC[C@@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775554703 1122660925 /nfs/dbraw/zinc/66/09/25/1122660925.db2.gz ZLZZXHUKGOVXEX-QWHCGFSZSA-N 0 3 283.202 3.815 20 30 CHEDHN C=CCCCN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438114721 1122680362 /nfs/dbraw/zinc/68/03/62/1122680362.db2.gz OYJLEWRAEARTOD-UHFFFAOYSA-N 0 3 297.320 3.835 20 30 CHEDHN CS[C@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439444188 1122780483 /nfs/dbraw/zinc/78/04/83/1122780483.db2.gz AUVMSVRCDYZWDX-AWEZNQCLSA-N 0 3 294.851 3.929 20 30 CHEDHN C#C[C@](C)(CC)NCc1ccc(OCc2ccccc2)nc1 ZINC001194505042 1122780796 /nfs/dbraw/zinc/78/07/96/1122780796.db2.gz JHYRFYIWJIBGDY-LJQANCHMSA-N 0 3 294.398 3.552 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(F)c1 ZINC000507215357 1122940579 /nfs/dbraw/zinc/94/05/79/1122940579.db2.gz VOVAQPDEBYPDRS-CYBMUJFWSA-N 0 3 268.335 3.890 20 30 CHEDHN Cc1cccc(CN(C)Cc2ccc(C#N)cc2)c1C ZINC000507218021 1122940724 /nfs/dbraw/zinc/94/07/24/1122940724.db2.gz YXKZHOBFEYVGBF-UHFFFAOYSA-N 0 3 264.372 3.807 20 30 CHEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775834868 1122985968 /nfs/dbraw/zinc/98/59/68/1122985968.db2.gz RMZLIHVNDOCACB-HNNXBMFYSA-N 0 3 296.389 3.594 20 30 CHEDHN N#CC1(CN2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000775976669 1123031229 /nfs/dbraw/zinc/03/12/29/1123031229.db2.gz WALMLDDXLUWBLS-QZTJIDSGSA-N 0 3 298.430 3.658 20 30 CHEDHN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCC#N ZINC000441064762 1123054595 /nfs/dbraw/zinc/05/45/95/1123054595.db2.gz JGIPDDORMCRILI-OXJNMPFZSA-N 0 3 290.410 3.979 20 30 CHEDHN CC(C)(C)CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001201447870 1123106692 /nfs/dbraw/zinc/10/66/92/1123106692.db2.gz TVBZFCHSXVOUBO-UHFFFAOYSA-N 0 3 274.383 3.729 20 30 CHEDHN COc1ccc(C#N)cc1Nc1ccnc(C2CCC2)c1 ZINC001201582336 1123127399 /nfs/dbraw/zinc/12/73/99/1123127399.db2.gz YKVWPPKLHLFXIO-UHFFFAOYSA-N 0 3 279.343 3.973 20 30 CHEDHN CCCCCCCCCCCN1CCN(CCOC)CC1 ZINC001201631353 1123129950 /nfs/dbraw/zinc/12/99/50/1123129950.db2.gz REGIVHPYWHIQJX-UHFFFAOYSA-N 0 3 298.515 3.781 20 30 CHEDHN CCCCCCCCN1CCN(Cc2ccncc2)CC1 ZINC001201826088 1123153427 /nfs/dbraw/zinc/15/34/27/1123153427.db2.gz MQLOESWNOKKMJR-UHFFFAOYSA-N 0 3 289.467 3.560 20 30 CHEDHN C=CCOc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183507230 1123189676 /nfs/dbraw/zinc/18/96/76/1123189676.db2.gz HJVNOORZUZBEID-CQSZACIVSA-N 0 3 283.371 3.808 20 30 CHEDHN N#CC1(CNC2CC(c3ccc(F)cc3F)C2)CCCC1 ZINC000895141248 1123273713 /nfs/dbraw/zinc/27/37/13/1123273713.db2.gz JLNVBKFEWMNHLM-UHFFFAOYSA-N 0 3 290.357 3.884 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000126916439 1123288517 /nfs/dbraw/zinc/28/85/17/1123288517.db2.gz MZNQVWZKKYJAHA-QGZVFWFLSA-N 0 3 282.774 3.989 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000442782609 1123338084 /nfs/dbraw/zinc/33/80/84/1123338084.db2.gz LJFZJXFGXOFZNT-GDBMZVCRSA-N 0 3 293.370 3.656 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)CCc1c(F)cccc1F ZINC000338933791 1123340273 /nfs/dbraw/zinc/34/02/73/1123340273.db2.gz LPEMHARQRSLUGJ-VXGBXAGGSA-N 0 3 266.335 3.568 20 30 CHEDHN C=CC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000522081076 1123389766 /nfs/dbraw/zinc/38/97/66/1123389766.db2.gz PZBJDAWUMBFRGV-UHFFFAOYSA-N 0 3 267.319 3.686 20 30 CHEDHN CC(C)(C#N)CCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000776606357 1123411031 /nfs/dbraw/zinc/41/10/31/1123411031.db2.gz VPAKUXCQHRENKJ-UHFFFAOYSA-N 0 3 289.810 3.764 20 30 CHEDHN CCCCCCCC(=O)NCc1ccccc1CN(C)C ZINC000112879854 1123502693 /nfs/dbraw/zinc/50/26/93/1123502693.db2.gz NDOWUKGFDXTZQY-UHFFFAOYSA-N 0 3 290.451 3.725 20 30 CHEDHN C#CCCOc1ccc(CNCc2ccc(F)c(C)c2)cc1 ZINC000113316697 1123518565 /nfs/dbraw/zinc/51/85/65/1123518565.db2.gz WOJVJCMDYKXWTD-UHFFFAOYSA-N 0 3 297.373 3.826 20 30 CHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccccc2)c1 ZINC000113961436 1123550344 /nfs/dbraw/zinc/55/03/44/1123550344.db2.gz LVOVVEFLOMTCPG-QGZVFWFLSA-N 0 3 280.371 3.657 20 30 CHEDHN C[C@@H](NCc1cccc(F)c1C#N)C1CCCCC1 ZINC000428301555 1123585873 /nfs/dbraw/zinc/58/58/73/1123585873.db2.gz AULADJBUTZNSSS-GFCCVEGCSA-N 0 3 260.356 3.756 20 30 CHEDHN Cc1ccc([C@@H](C)N[C@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000925491243 1123586640 /nfs/dbraw/zinc/58/66/40/1123586640.db2.gz DRVORVBDQHIABE-CHWSQXEVSA-N 0 3 289.379 3.882 20 30 CHEDHN C=C(CC)CN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858028196 1123628605 /nfs/dbraw/zinc/62/86/05/1123628605.db2.gz DCBUYRUGHWXRPB-KRWDZBQOSA-N 0 3 286.419 3.768 20 30 CHEDHN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000346201583 1123672308 /nfs/dbraw/zinc/67/23/08/1123672308.db2.gz RBHXKKSJWQIFKL-KZULUSFZSA-N 0 3 295.361 3.894 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)c1ccnc2ccccc21 ZINC000346604297 1123700325 /nfs/dbraw/zinc/70/03/25/1123700325.db2.gz MGBGORKQJCIHAH-UHFFFAOYSA-N 0 3 273.339 3.743 20 30 CHEDHN C=C(C)CCNCc1c(C)nn(-c2ccccc2)c1Cl ZINC001202505169 1123763084 /nfs/dbraw/zinc/76/30/84/1123763084.db2.gz ODEWJIRCISRMQQ-UHFFFAOYSA-N 0 3 289.810 3.890 20 30 CHEDHN C[C@@H]1CN(Cc2cccc(F)c2C#N)[C@H]2CCCC[C@@H]12 ZINC000428363227 1124016993 /nfs/dbraw/zinc/01/69/93/1124016993.db2.gz PZURCCCFCLMDNY-IFIJOSMWSA-N 0 3 272.367 3.708 20 30 CHEDHN C=CCN(C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000428369567 1124042665 /nfs/dbraw/zinc/04/26/65/1124042665.db2.gz JSJFRGLUVZSQBK-UHFFFAOYSA-N 0 3 288.416 3.648 20 30 CHEDHN C=CC[C@H](N[C@@H]1CCc2cc(OC)ccc21)c1ccncc1 ZINC000866268488 1124044317 /nfs/dbraw/zinc/04/43/17/1124044317.db2.gz WTIUPERUHYTWSY-RBUKOAKNSA-N 0 3 294.398 3.985 20 30 CHEDHN C#CC[C@@H](N[C@H]1CCCc2ncccc21)c1ccccc1 ZINC000866312597 1124051473 /nfs/dbraw/zinc/05/14/73/1124051473.db2.gz OUAWDVFBTSYQJC-MJGOQNOKSA-N 0 3 276.383 3.813 20 30 CHEDHN C=CCOc1ccc(CN(C)CC=C)cc1Cl ZINC000428384842 1124071353 /nfs/dbraw/zinc/07/13/53/1124071353.db2.gz OVKUUDIHEUMKJH-UHFFFAOYSA-N 0 3 251.757 3.523 20 30 CHEDHN C=CCC[C@H](CC)NCc1ncc(Br)s1 ZINC000866615359 1124089627 /nfs/dbraw/zinc/08/96/27/1124089627.db2.gz DIMPCOQRLHNGJQ-VIFPVBQESA-N 0 3 289.242 3.740 20 30 CHEDHN C[C@@H](NCc1cccn1C1CC1)c1ccc(C#N)cc1 ZINC001119340249 1131251720 /nfs/dbraw/zinc/25/17/20/1131251720.db2.gz VCIAJYIQYCNZDX-CYBMUJFWSA-N 0 3 265.360 3.545 20 30 CHEDHN N#CC[C@@H]1CCCN([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170934243 1131257840 /nfs/dbraw/zinc/25/78/40/1131257840.db2.gz LUVMEHWFPVPZAT-DZGCQCFKSA-N 0 3 288.822 3.823 20 30 CHEDHN Cc1cc(C)cc([C@@H]2CCN(Cc3cncc(C#N)c3)C2)c1 ZINC001119729842 1131262461 /nfs/dbraw/zinc/26/24/61/1131262461.db2.gz XEDYHYJHYQVBBS-GOSISDBHSA-N 0 3 291.398 3.560 20 30 CHEDHN CC[C@@H](NCc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447514279 1124482660 /nfs/dbraw/zinc/48/26/60/1124482660.db2.gz CPRDASNAFJLSQU-QGZVFWFLSA-N 0 3 268.335 3.938 20 30 CHEDHN N#Cc1ccccc1-c1ccc(CNCC2(F)CC2)cc1 ZINC000525991795 1124491943 /nfs/dbraw/zinc/49/19/43/1124491943.db2.gz ZDINNSNIBUEASI-UHFFFAOYSA-N 0 3 280.346 3.817 20 30 CHEDHN CC1(C#N)CCC(NCc2coc(-c3ccccc3)n2)CC1 ZINC000449157730 1124657872 /nfs/dbraw/zinc/65/78/72/1124657872.db2.gz WKIDZDHVWYFPKW-UHFFFAOYSA-N 0 3 295.386 3.904 20 30 CHEDHN Cc1ccccc1CCN(C)Cc1ccc(C#N)s1 ZINC000449380196 1124717142 /nfs/dbraw/zinc/71/71/42/1124717142.db2.gz MBHBSESCKKAHNP-UHFFFAOYSA-N 0 3 270.401 3.603 20 30 CHEDHN C=CC(C)(C)CNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000449485221 1124764557 /nfs/dbraw/zinc/76/45/57/1124764557.db2.gz LHJMXOBOKUZRIT-NSHDSACASA-N 0 3 264.438 3.570 20 30 CHEDHN C=CCC1(CNCc2ccn(C(F)F)n2)CCCC1 ZINC000449606273 1124813603 /nfs/dbraw/zinc/81/36/03/1124813603.db2.gz QHEFJOSBZHTVOV-UHFFFAOYSA-N 0 3 269.339 3.504 20 30 CHEDHN CCCCCCCCCC[C@H](O)CN1CC[C@@]12CCOC2 ZINC001252983204 1124927449 /nfs/dbraw/zinc/92/74/49/1124927449.db2.gz SOIOGIWMWVKDDB-ROUUACIJSA-N 0 3 297.483 3.743 20 30 CHEDHN Cc1ccc(CN[C@H](CCC#N)c2ccccc2)c(O)c1 ZINC000877116659 1125012474 /nfs/dbraw/zinc/01/24/74/1125012474.db2.gz SQBHLQLKKWSNQJ-QGZVFWFLSA-N 0 3 280.371 3.835 20 30 CHEDHN CC(C)(C)CN(CCC#N)C[C@H]1CCC(F)(F)C1 ZINC000450427820 1125016632 /nfs/dbraw/zinc/01/66/32/1125016632.db2.gz GMBIJIFSUBQLPR-LBPRGKRZSA-N 0 3 258.356 3.684 20 30 CHEDHN C=C(C)CN(CCC(C)(C)SC)Cc1ccc(CO)o1 ZINC000877516980 1125038753 /nfs/dbraw/zinc/03/87/53/1125038753.db2.gz KAZCKXMJOAFVHU-UHFFFAOYSA-N 0 3 297.464 3.682 20 30 CHEDHN CC(C)(C)C(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877548929 1125043702 /nfs/dbraw/zinc/04/37/02/1125043702.db2.gz WUWZMBMTERJIQY-UHFFFAOYSA-N 0 3 265.788 3.521 20 30 CHEDHN CC(C)(C)C1CC(NCc2cc(C#N)cnc2Cl)C1 ZINC000877552726 1125045385 /nfs/dbraw/zinc/04/53/85/1125045385.db2.gz WJNLYKAGEOGDPX-UHFFFAOYSA-N 0 3 277.799 3.521 20 30 CHEDHN CCC(C)(C)[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877623581 1125055667 /nfs/dbraw/zinc/05/56/67/1125055667.db2.gz UEVVZWIBNDYNPN-SNVBAGLBSA-N 0 3 265.788 3.521 20 30 CHEDHN N#CC1(CN[C@@H]2CCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000450737796 1125096535 /nfs/dbraw/zinc/09/65/35/1125096535.db2.gz KTVGNRWIZXELOI-HZPDHXFCSA-N 0 3 272.367 3.745 20 30 CHEDHN N#CC1(CN[C@H]2CCCC[C@H]2c2ccccc2)CCC1 ZINC000450754422 1125102352 /nfs/dbraw/zinc/10/23/52/1125102352.db2.gz CLUPDSUOMBMNRZ-IRXDYDNUSA-N 0 3 268.404 3.996 20 30 CHEDHN N#CCCCN[C@H]1CCSc2c(Cl)cccc21 ZINC000346805836 1125161640 /nfs/dbraw/zinc/16/16/40/1125161640.db2.gz JAMBOZNTVDAKOT-LBPRGKRZSA-N 0 3 266.797 3.770 20 30 CHEDHN Cc1ccccc1SC[C@@H](C)CN[C@H](C)CC#N ZINC000878819681 1125181137 /nfs/dbraw/zinc/18/11/37/1125181137.db2.gz AOMPMJZXLKWXED-GXTWGEPZSA-N 0 3 262.422 3.615 20 30 CHEDHN C[C@H]1c2ccccc2CCN1CCOc1ccccc1C#N ZINC000531140225 1125196490 /nfs/dbraw/zinc/19/64/90/1125196490.db2.gz KHIXWOBJNXKZKR-HNNXBMFYSA-N 0 3 292.382 3.556 20 30 CHEDHN C=CCCC[C@@H](NCc1cc(C)n[nH]1)c1ccccc1 ZINC000883190895 1125376073 /nfs/dbraw/zinc/37/60/73/1125376073.db2.gz NUNAMGOOVIXIIJ-QGZVFWFLSA-N 0 3 269.392 3.905 20 30 CHEDHN C=C(Br)CN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000131215137 1125377417 /nfs/dbraw/zinc/37/74/17/1125377417.db2.gz CEMCVAKWPBCXGD-ZIAGYGMSSA-N 0 3 280.209 3.821 20 30 CHEDHN COc1ccc(C2CC2)cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000883265897 1125388681 /nfs/dbraw/zinc/38/86/81/1125388681.db2.gz NMHYBZDDAHGBBM-GUYCJALGSA-N 0 3 284.403 3.745 20 30 CHEDHN C=CCC[C@H](NC[C@H]1CCC2(CCC2)O1)c1ccco1 ZINC000883357986 1125401238 /nfs/dbraw/zinc/40/12/38/1125401238.db2.gz YZWWKAKMCSGIAO-CABCVRRESA-N 0 3 275.392 3.978 20 30 CHEDHN CCN(CCc1ccc(OC)cc1)Cc1ccccc1C#N ZINC001204372421 1129305226 /nfs/dbraw/zinc/30/52/26/1129305226.db2.gz DVTFZBDXVFCSIF-UHFFFAOYSA-N 0 3 294.398 3.631 20 30 CHEDHN N#CC(C(=O)CCC1CC1)c1ccc2ccccc2n1 ZINC000734706216 1129318048 /nfs/dbraw/zinc/31/80/48/1129318048.db2.gz WASABXSHSIGXEG-AWEZNQCLSA-N 0 3 264.328 3.601 20 30 CHEDHN C(#Cc1ccccc1)CNCc1ccc2ccccc2c1 ZINC000736354493 1129373456 /nfs/dbraw/zinc/37/34/56/1129373456.db2.gz VWPMZINNSSJFKO-UHFFFAOYSA-N 0 3 271.363 3.981 20 30 CHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1ccsc1 ZINC000739154741 1129401493 /nfs/dbraw/zinc/40/14/93/1129401493.db2.gz DHISFNKTGLSHNY-ZYHUDNBSSA-N 0 3 296.351 3.869 20 30 CHEDHN C=CCN(Cc1ccccc1)Cc1cccc(OC)c1 ZINC000642103445 1129405999 /nfs/dbraw/zinc/40/59/99/1129405999.db2.gz LUWPMMUMXVHYMW-UHFFFAOYSA-N 0 3 267.372 3.883 20 30 CHEDHN C(=Nn1cnnc1-c1ccccc1)C1CCCCCC1 ZINC000741847210 1129456167 /nfs/dbraw/zinc/45/61/67/1129456167.db2.gz IHWWMYGZGJTTMK-UHFFFAOYSA-N 0 3 268.364 3.749 20 30 CHEDHN C=CCC[C@H](C)NCC(=O)c1cccc(Br)c1 ZINC001258716531 1129540057 /nfs/dbraw/zinc/54/00/57/1129540057.db2.gz AIGOMZQNEBIFQE-NSHDSACASA-N 0 3 296.208 3.576 20 30 CHEDHN C=CCC[C@@H](C)NCC(=O)c1cccc(Br)c1 ZINC001258716530 1129540078 /nfs/dbraw/zinc/54/00/78/1129540078.db2.gz AIGOMZQNEBIFQE-LLVKDONJSA-N 0 3 296.208 3.576 20 30 CHEDHN N#CC(C(=O)CCC(F)(F)F)c1ccc2ccccc2n1 ZINC000744014949 1129545498 /nfs/dbraw/zinc/54/54/98/1129545498.db2.gz COUMAWJJIQCDNY-NSHDSACASA-N 0 3 292.260 3.754 20 30 CHEDHN C=CCC[C@@H](C)NCc1c(Cl)cncc1Cl ZINC001258720158 1129548261 /nfs/dbraw/zinc/54/82/61/1129548261.db2.gz SPWQBPPSZWFXRB-SECBINFHSA-N 0 3 259.180 3.833 20 30 CHEDHN C=CCN1CCC(NC(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC000648773458 1129624987 /nfs/dbraw/zinc/62/49/87/1129624987.db2.gz LBWWHJFCQCVSFN-MRXNPFEDSA-N 0 3 292.467 3.526 20 30 CHEDHN C#CCCOc1ccc(CN[C@@H](C)CC(F)(F)F)cc1 ZINC000766480493 1129670793 /nfs/dbraw/zinc/67/07/93/1129670793.db2.gz WQHRXMXUHGKABM-LBPRGKRZSA-N 0 3 285.309 3.519 20 30 CHEDHN CC(C)C[C@H](Cc1ccccc1)NC(=N)c1ccc(F)cn1 ZINC001169058753 1129693908 /nfs/dbraw/zinc/69/39/08/1129693908.db2.gz KOGSELNGBUFKRI-MRXNPFEDSA-N 0 3 299.393 3.583 20 30 CHEDHN CC(C)C[C@H](Cc1ccccc1)N1CCC[C@@H](C#N)C1 ZINC001169078162 1129697566 /nfs/dbraw/zinc/69/75/66/1129697566.db2.gz MHSXMQLVBWLOFH-ZWKOTPCHSA-N 0 3 270.420 3.879 20 30 CHEDHN CCC#C[C@H](C)N1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000796419611 1129702129 /nfs/dbraw/zinc/70/21/29/1129702129.db2.gz SPNKKFARIAQKOU-QFBILLFUSA-N 0 3 285.431 3.542 20 30 CHEDHN CC(C)[Si](C#Cn1ccc([C@@H](C)N)n1)(C(C)C)C(C)C ZINC001169231747 1129710414 /nfs/dbraw/zinc/71/04/14/1129710414.db2.gz RKZZJHBXMLKORZ-OAHLLOKOSA-N 0 3 291.515 3.930 20 30 CHEDHN C=CC[C@@H]1CC[C@@H](NCc2nc(C3CC3)cs2)C1 ZINC000651739338 1129747127 /nfs/dbraw/zinc/74/71/27/1129747127.db2.gz RPJPHHOMCIOUHC-DGCLKSJQSA-N 0 3 262.422 3.855 20 30 CHEDHN Cc1c2[nH]cnc2ccc1NC12CCC(C#N)(CC1)CC2 ZINC001169750522 1129752623 /nfs/dbraw/zinc/75/26/23/1129752623.db2.gz DMSYDWWGVYQRAT-UHFFFAOYSA-N 0 3 280.375 3.900 20 30 CHEDHN C=CCCn1cc(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)nn1 ZINC000653766544 1129794679 /nfs/dbraw/zinc/79/46/79/1129794679.db2.gz IIQBTLLXAVSJBK-HZPDHXFCSA-N 0 3 290.455 3.501 20 30 CHEDHN Cc1cc(CNCc2cccc(OC(C)C)c2)ccc1C#N ZINC000767680659 1129808056 /nfs/dbraw/zinc/80/80/56/1129808056.db2.gz IEDVYQKSZNUXMF-UHFFFAOYSA-N 0 3 294.398 3.944 20 30 CHEDHN CN(Cc1cccc(C#N)c1)Cc1cncc2ccccc21 ZINC000768264102 1129848582 /nfs/dbraw/zinc/84/85/82/1129848582.db2.gz ZUVDMDLERUPEMK-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN CCCC[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000800387658 1129869310 /nfs/dbraw/zinc/86/93/10/1129869310.db2.gz QPNSZHYRVCAAKO-VXGBXAGGSA-N 0 3 270.332 3.830 20 30 CHEDHN COc1ccc(CN(C)CC2CCCCC2)c(C#N)c1 ZINC001137704508 1131403867 /nfs/dbraw/zinc/40/38/67/1131403867.db2.gz JBJVOTAWWIMDGE-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN CCCCCCCCCN(C)Cc1cnc2cnccn12 ZINC000768991966 1129885386 /nfs/dbraw/zinc/88/53/86/1129885386.db2.gz NIGFTMTULBNXHY-UHFFFAOYSA-N 0 3 288.439 3.912 20 30 CHEDHN C=CC(C)(C)CC(=O)Nc1cc(CN(C)C)ccc1C ZINC000900956682 1129905408 /nfs/dbraw/zinc/90/54/08/1129905408.db2.gz XSLHNCMCOKNONC-UHFFFAOYSA-N 0 3 274.408 3.597 20 30 CHEDHN C=C1CCC(C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000900954785 1129905682 /nfs/dbraw/zinc/90/56/82/1129905682.db2.gz LULPIUXETCLTCI-UHFFFAOYSA-N 0 3 286.419 3.742 20 30 CHEDHN C#C[C@H](C)N(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000769962995 1129932804 /nfs/dbraw/zinc/93/28/04/1129932804.db2.gz OEMNPMBQGMHIRA-HNNXBMFYSA-N 0 3 274.367 3.679 20 30 CHEDHN C#C[C@@H](C)N(C)Cc1ccc(-c2ccsc2)cc1 ZINC000769977502 1129933808 /nfs/dbraw/zinc/93/38/08/1129933808.db2.gz GSTIKUVICKLTKX-CYBMUJFWSA-N 0 3 255.386 3.869 20 30 CHEDHN Cc1ccncc1[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000770745076 1129958072 /nfs/dbraw/zinc/95/80/72/1129958072.db2.gz DKCAFZZCAOBCDL-GJZGRUSLSA-N 0 3 295.386 3.532 20 30 CHEDHN CCc1ccc([C@@H]2CCCCCN2CCO[C@@H](C)C#N)o1 ZINC000801922911 1129958966 /nfs/dbraw/zinc/95/89/66/1129958966.db2.gz SNTQSYSQSJAQEN-HOCLYGCPSA-N 0 3 290.407 3.688 20 30 CHEDHN C=CCN(C[C@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000772382275 1130020777 /nfs/dbraw/zinc/02/07/77/1130020777.db2.gz PNQLPOYQFAWRHZ-AWEZNQCLSA-N 0 3 286.202 3.677 20 30 CHEDHN CC[C@H](N[C@H](CCO)c1ccccc1)c1cccc(C#N)c1 ZINC000902814696 1130061855 /nfs/dbraw/zinc/06/18/55/1130061855.db2.gz FVLVDBZEUKCFHE-RBUKOAKNSA-N 0 3 294.398 3.723 20 30 CHEDHN C=CCC[C@@H](NCc1cc(CC)no1)[C@]1(C)CCCCO1 ZINC000902817126 1130062285 /nfs/dbraw/zinc/06/22/85/1130062285.db2.gz VSGUQXCJAKXXSO-SJORKVTESA-N 0 3 292.423 3.621 20 30 CHEDHN CC[C@@H](NCc1sc(C)nc1C)c1cccc(C#N)c1 ZINC000902820577 1130062522 /nfs/dbraw/zinc/06/25/22/1130062522.db2.gz SGPLGQBXQGBXBP-OAHLLOKOSA-N 0 3 285.416 3.873 20 30 CHEDHN C=CCC[C@H](NCc1ncccc1F)[C@@]1(C)CCCCO1 ZINC000902885422 1130079306 /nfs/dbraw/zinc/07/93/06/1130079306.db2.gz ADQBTCVAVPNKOG-DLBZAZTESA-N 0 3 292.398 3.604 20 30 CHEDHN CC[C@H](NCc1cnccc1C)c1cccc(C#N)c1 ZINC000903007680 1130099900 /nfs/dbraw/zinc/09/99/00/1130099900.db2.gz FIHGAYBYAGXNNC-KRWDZBQOSA-N 0 3 265.360 3.503 20 30 CHEDHN C=CCC[C@@H](NCc1cnc(CC)o1)[C@]1(C)CCCCO1 ZINC000903012994 1130100230 /nfs/dbraw/zinc/10/02/30/1130100230.db2.gz WKIFAUUPUXOXPU-WBVHZDCISA-N 0 3 292.423 3.621 20 30 CHEDHN CC[C@H](N[C@H](c1ccccc1)[C@H](C)O)c1cccc(C#N)c1 ZINC000903058356 1130106609 /nfs/dbraw/zinc/10/66/09/1130106609.db2.gz GFWYEVWSILPTSL-JVPBZIDWSA-N 0 3 294.398 3.721 20 30 CHEDHN CC(C)CCC[C@@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001170061463 1130110674 /nfs/dbraw/zinc/11/06/74/1130110674.db2.gz QQIBRGGICMCKIE-LLVKDONJSA-N 0 3 267.804 3.655 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2cscc2C)cc1 ZINC000786928552 1130122558 /nfs/dbraw/zinc/12/25/58/1130122558.db2.gz TZYNZDAFADBMAV-AWEZNQCLSA-N 0 3 285.412 3.919 20 30 CHEDHN Cc1ccc(C[C@H](NCc2nc(C#N)cs2)C(C)C)cc1 ZINC000903262659 1130139472 /nfs/dbraw/zinc/13/94/72/1130139472.db2.gz GFMIPBZUBLEJNQ-INIZCTEOSA-N 0 3 299.443 3.680 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cncc2ccccc21 ZINC000787330253 1130145029 /nfs/dbraw/zinc/14/50/29/1130145029.db2.gz DJGNMUYVLDLJDP-FQEVSTJZSA-N 0 3 299.377 3.884 20 30 CHEDHN C#Cc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000787770233 1130163477 /nfs/dbraw/zinc/16/34/77/1130163477.db2.gz DCVLHYPBDSNZFX-LJQANCHMSA-N 0 3 276.383 3.708 20 30 CHEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc(F)ccc1OC ZINC000903370819 1130167221 /nfs/dbraw/zinc/16/72/21/1130167221.db2.gz KOQOWYBTKNXJED-WHOFXGATSA-N 0 3 276.355 3.567 20 30 CHEDHN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1 ZINC000903428224 1130176073 /nfs/dbraw/zinc/17/60/73/1130176073.db2.gz NNPXAJROWOKJBR-SCLBCKFNSA-N 0 3 277.371 3.755 20 30 CHEDHN C#CCN(Cc1ccccc1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001170094512 1130224067 /nfs/dbraw/zinc/22/40/67/1130224067.db2.gz IFQUKEFNWMYSIB-MOPGFXCFSA-N 0 3 279.358 3.817 20 30 CHEDHN C#CCN(Cc1ccccc1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001170094513 1130224086 /nfs/dbraw/zinc/22/40/86/1130224086.db2.gz IFQUKEFNWMYSIB-OALUTQOASA-N 0 3 279.358 3.817 20 30 CHEDHN CCC[C@@H](CCc1ccccc1)N1CC[C@@H](C#N)C1 ZINC001254497989 1130255119 /nfs/dbraw/zinc/25/51/19/1130255119.db2.gz GMNYUVYTASJHRE-IRXDYDNUSA-N 0 3 256.393 3.633 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2F)C2CC2)C1 ZINC001254646028 1130270834 /nfs/dbraw/zinc/27/08/34/1130270834.db2.gz JDNMWVFJPBCWBE-AXAPSJFSSA-N 0 3 258.340 3.559 20 30 CHEDHN Cc1c(C#N)ccnc1C1=CCCN(Cc2ccccc2)C1 ZINC001240383473 1130285666 /nfs/dbraw/zinc/28/56/66/1130285666.db2.gz DSPFDVUETKZQFP-UHFFFAOYSA-N 0 3 289.382 3.551 20 30 CHEDHN C[N@@H+]1CCCC(C)(C)[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000790599384 1130320909 /nfs/dbraw/zinc/32/09/09/1130320909.db2.gz XTUBIQSRBBATDH-BFERYNQYSA-N 0 3 294.826 3.585 20 30 CHEDHN C[N@H+]1CCCC(C)(C)[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000790599384 1130320915 /nfs/dbraw/zinc/32/09/15/1130320915.db2.gz XTUBIQSRBBATDH-BFERYNQYSA-N 0 3 294.826 3.585 20 30 CHEDHN CCN(CC#CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000677818956 1130333858 /nfs/dbraw/zinc/33/38/58/1130333858.db2.gz ZAXKGCUNVVWOPK-ZDUSSCGKSA-N 0 3 299.336 3.738 20 30 CHEDHN N#CC(C(=O)CCc1ccoc1)c1nccc2ccccc21 ZINC000792095035 1130431248 /nfs/dbraw/zinc/43/12/48/1130431248.db2.gz SPWFCXODFPNJEX-MRXNPFEDSA-N 0 3 290.322 3.637 20 30 CHEDHN CN(CCc1ccccc1F)Cc1ccc(C#N)c(F)c1 ZINC000792222149 1130438850 /nfs/dbraw/zinc/43/88/50/1130438850.db2.gz QRUAPMABFKXBIE-UHFFFAOYSA-N 0 3 286.325 3.511 20 30 CHEDHN C=CCC[C@H](O)CN(Cc1ccccc1Cl)CC1CC1 ZINC001170193979 1130456551 /nfs/dbraw/zinc/45/65/51/1130456551.db2.gz JATPOKIWTHOPEF-INIZCTEOSA-N 0 3 293.838 3.879 20 30 CHEDHN CC[C@@H]1COCCN1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395761 1130488283 /nfs/dbraw/zinc/48/82/83/1130488283.db2.gz PFBKEADBLZFDTO-LMDPOFIKSA-N 0 3 298.430 3.501 20 30 CHEDHN N#CC1(c2ccccc2)CCC(N2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001170382793 1130490606 /nfs/dbraw/zinc/49/06/06/1130490606.db2.gz CZAPJBFMXHUHHE-UOLGJIMMSA-N 0 3 298.405 3.680 20 30 CHEDHN C=CCOCCN[C@@H](C)c1cc(Cl)ccc1OCC ZINC000679576560 1130541467 /nfs/dbraw/zinc/54/14/67/1130541467.db2.gz PJABEZSJBQMOBX-LBPRGKRZSA-N 0 3 283.799 3.592 20 30 CHEDHN C(#Cc1ccccc1)CNc1ccncc1-c1ccccc1 ZINC001170429734 1130542411 /nfs/dbraw/zinc/54/24/11/1130542411.db2.gz MYCUJVADNQMLIO-UHFFFAOYSA-N 0 3 284.362 3.634 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1cc(CC)no1 ZINC000793531069 1130571911 /nfs/dbraw/zinc/57/19/11/1130571911.db2.gz CCNBNDFESKMTJS-ZDUSSCGKSA-N 0 3 250.386 3.852 20 30 CHEDHN C#C[C@@H](C)N(C)C/C(C)=C/c1ccccc1OC(F)F ZINC000811495964 1130613220 /nfs/dbraw/zinc/61/32/20/1130613220.db2.gz NHEZQELITFQUKD-RSKUSDAESA-N 0 3 279.330 3.645 20 30 CHEDHN C[NH+](C)CC1(C/N=C\c2cc(Cl)ccc2[O-])CCCC1 ZINC000758816361 1130625547 /nfs/dbraw/zinc/62/55/47/1130625547.db2.gz QLTLHVQYDAFCJS-ZDLGFXPLSA-N 0 3 294.826 3.587 20 30 CHEDHN C[C@@H](CC(C)(C)S)Oc1cccc2c1CCN(C)C2 ZINC001234422624 1130642233 /nfs/dbraw/zinc/64/22/33/1130642233.db2.gz IRJBTNBWNSURPM-LBPRGKRZSA-N 0 3 279.449 3.540 20 30 CHEDHN C=C[C@H](CCC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658038 1130669765 /nfs/dbraw/zinc/66/97/65/1130669765.db2.gz RIODHMOBNHWHPY-QGZVFWFLSA-N 0 3 288.435 3.562 20 30 CHEDHN C=CCN1CCC(NC(=O)[C@@](C)(CC)CCCCC)CC1 ZINC000780614749 1130686677 /nfs/dbraw/zinc/68/66/77/1130686677.db2.gz GZAHQBYUOKTUAD-SFHVURJKSA-N 0 3 294.483 3.750 20 30 CHEDHN CCCCCCCCN(C)Cc1nc2c(s1)CNCC2 ZINC001235662911 1130762072 /nfs/dbraw/zinc/76/20/72/1130762072.db2.gz DSANDAIHFBOOFO-UHFFFAOYSA-N 0 3 295.496 3.581 20 30 CHEDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001235681141 1130768408 /nfs/dbraw/zinc/76/84/08/1130768408.db2.gz YSKHLBOJCBNVNC-CQSZACIVSA-N 0 3 286.419 3.815 20 30 CHEDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001235681141 1130768412 /nfs/dbraw/zinc/76/84/12/1130768412.db2.gz YSKHLBOJCBNVNC-CQSZACIVSA-N 0 3 286.419 3.815 20 30 CHEDHN C#CCN(Cc1ccc(N)c(F)c1)[C@@H]1CCc2ccccc21 ZINC001235835460 1130785487 /nfs/dbraw/zinc/78/54/87/1130785487.db2.gz VOYPOMSGPLKTTP-LJQANCHMSA-N 0 3 294.373 3.531 20 30 CHEDHN C=CCN(CC=C)Cc1ccc2sc(C)nc2c1 ZINC001235863516 1130789931 /nfs/dbraw/zinc/78/99/31/1130789931.db2.gz OJUQUUGIUJGFQY-UHFFFAOYSA-N 0 3 258.390 3.779 20 30 CHEDHN Cc1nc2cc(CN3CCC(CC#N)CC3)ccc2s1 ZINC001235865860 1130790646 /nfs/dbraw/zinc/79/06/46/1130790646.db2.gz NQNSABRWRFPKHG-UHFFFAOYSA-N 0 3 285.416 3.730 20 30 CHEDHN C[C@H](C=Nn1cnnc1-c1ccccc1)Cc1ccccc1 ZINC000783820381 1130855602 /nfs/dbraw/zinc/85/56/02/1130855602.db2.gz DHDUWOGYADCCEY-HNNXBMFYSA-N 0 3 290.370 3.658 20 30 CHEDHN N#CCCC[C@@H](NCc1ccc(F)nc1)c1ccccc1 ZINC000814304559 1130862496 /nfs/dbraw/zinc/86/24/96/1130862496.db2.gz NVPXSJNVASYPFJ-MRXNPFEDSA-N 0 3 283.350 3.745 20 30 CHEDHN CC(C)[C@H](NCc1ccc(CC#N)cc1)c1ccccn1 ZINC000784265140 1130894359 /nfs/dbraw/zinc/89/43/59/1130894359.db2.gz DDUBUCHAUKKLKK-SFHVURJKSA-N 0 3 279.387 3.635 20 30 CHEDHN C#CC[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000784266141 1130895695 /nfs/dbraw/zinc/89/56/95/1130895695.db2.gz QXPVSIXKLNTAGY-IBGZPJMESA-N 0 3 274.367 3.607 20 30 CHEDHN C=CCC[C@H](NCc1c(F)cc(F)cc1F)C1CC1 ZINC000815650217 1131018611 /nfs/dbraw/zinc/01/86/11/1131018611.db2.gz LWKVALDJKUKKFD-HNNXBMFYSA-N 0 3 269.310 3.938 20 30 CHEDHN C=CC[N@@H+](Cc1ccc(OCC)cc1[O-])C(C)(C)C ZINC001237045810 1131041433 /nfs/dbraw/zinc/04/14/33/1131041433.db2.gz JNFNTDLXEUBZLK-UHFFFAOYSA-N 0 3 263.381 3.577 20 30 CHEDHN C=CC[N@H+](Cc1ccc(OCC)cc1[O-])C(C)(C)C ZINC001237045810 1131041442 /nfs/dbraw/zinc/04/14/42/1131041442.db2.gz JNFNTDLXEUBZLK-UHFFFAOYSA-N 0 3 263.381 3.577 20 30 CHEDHN N#CCC1CC[NH+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237139677 1131058017 /nfs/dbraw/zinc/05/80/17/1131058017.db2.gz NMZUDYOSDISJGS-UHFFFAOYSA-N 0 3 298.308 3.537 20 30 CHEDHN N#CCC1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237139677 1131058024 /nfs/dbraw/zinc/05/80/24/1131058024.db2.gz NMZUDYOSDISJGS-UHFFFAOYSA-N 0 3 298.308 3.537 20 30 CHEDHN C=CCN(CC=C)Cc1cc(C(F)(F)F)ccc1O ZINC001237140986 1131058559 /nfs/dbraw/zinc/05/85/59/1131058559.db2.gz QDVQUHXVUJRQNA-UHFFFAOYSA-N 0 3 271.282 3.585 20 30 CHEDHN C=CC[NH+](CC=C)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237140986 1131058565 /nfs/dbraw/zinc/05/85/65/1131058565.db2.gz QDVQUHXVUJRQNA-UHFFFAOYSA-N 0 3 271.282 3.585 20 30 CHEDHN N#CC1(c2ccccc2)CC[NH+](Cc2occc2[S-])CC1 ZINC001237184596 1131064066 /nfs/dbraw/zinc/06/40/66/1131064066.db2.gz ZMFKWUCMBCHWPK-UHFFFAOYSA-N 0 3 298.411 3.626 20 30 CHEDHN C#CCCN1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000799176490 1131074182 /nfs/dbraw/zinc/07/41/82/1131074182.db2.gz VPZBYRLLAHHBHK-UHFFFAOYSA-N 0 3 299.311 3.989 20 30 CHEDHN Cc1cc(F)cc(C)c1CN1CCC[C@H](CC#N)C1 ZINC001237323910 1131083991 /nfs/dbraw/zinc/08/39/91/1131083991.db2.gz YEWSKSNREQEYRI-CQSZACIVSA-N 0 3 260.356 3.568 20 30 CHEDHN CN(Cc1cccs1)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237471266 1131102428 /nfs/dbraw/zinc/10/24/28/1131102428.db2.gz RCSMYQLXKKOALV-UHFFFAOYSA-N 0 3 295.411 3.743 20 30 CHEDHN Cn1cc(CN2CCC[C@H]3CCC[C@@H]32)c2cc(C#N)ccc21 ZINC001237473715 1131103028 /nfs/dbraw/zinc/10/30/28/1131103028.db2.gz RVIQIPYOKJKOKT-QAPCUYQASA-N 0 3 293.414 3.814 20 30 CHEDHN CCN(Cc1cc(C#N)c(F)cc1F)C1CCCCC1 ZINC001237529485 1131111625 /nfs/dbraw/zinc/11/16/25/1131111625.db2.gz FLBUHOOTGXPZMO-UHFFFAOYSA-N 0 3 278.346 3.991 20 30 CHEDHN CCc1cc(CN2CCC(S)CC2)ccc1Cl ZINC001237740350 1131136027 /nfs/dbraw/zinc/13/60/27/1131136027.db2.gz SYJDUMUPYHCQLK-UHFFFAOYSA-N 0 3 269.841 3.797 20 30 CHEDHN COC(C)(C)[C@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237751300 1131137770 /nfs/dbraw/zinc/13/77/70/1131137770.db2.gz IIOIRIFMTYSXCS-OAHLLOKOSA-N 0 3 292.810 3.601 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CCCCCCC2)c1 ZINC001237751234 1131138164 /nfs/dbraw/zinc/13/81/64/1131138164.db2.gz GWVJUSYZTVHDKO-UHFFFAOYSA-N 0 3 262.784 3.978 20 30 CHEDHN CC(C)(C)ON=C1CCCC[C@H]1N1CCCCC1 ZINC001116404784 1131143094 /nfs/dbraw/zinc/14/30/94/1131143094.db2.gz NPAHOIPQAHUKHC-CQSZACIVSA-N 0 3 252.402 3.586 20 30 CHEDHN N#CCOc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC001116466864 1131149124 /nfs/dbraw/zinc/14/91/24/1131149124.db2.gz KVEHMLGZCVURMR-GOSISDBHSA-N 0 3 296.345 3.505 20 30 CHEDHN CCOc1cc(CN2CCC[C@@H](C#N)CC2)ccc1C ZINC001238071996 1131168062 /nfs/dbraw/zinc/16/80/62/1131168062.db2.gz PNHCAFYUWUNYIN-OAHLLOKOSA-N 0 3 272.392 3.519 20 30 CHEDHN C=CCn1cc(CN[C@@H](CCCCC)C(C)(C)C)nn1 ZINC000818346397 1131208051 /nfs/dbraw/zinc/20/80/51/1131208051.db2.gz DSTFNTHSQXPBQL-HNNXBMFYSA-N 0 3 278.444 3.549 20 30 CHEDHN CN(c1ccc(C#N)cc1)c1ccc(CN2CCC2)cc1 ZINC001137898209 1131431247 /nfs/dbraw/zinc/43/12/47/1131431247.db2.gz KDJXIHLDVCZSRF-UHFFFAOYSA-N 0 3 277.371 3.532 20 30 CHEDHN C#CC[C@H]1CCCN(Cc2nc(-c3ccccc3)oc2C)C1 ZINC000829769448 1131432580 /nfs/dbraw/zinc/43/25/80/1131432580.db2.gz VXHCOCSESWPAJJ-INIZCTEOSA-N 0 3 294.398 3.885 20 30 CHEDHN C#CC[C@@H]1CCCN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000829809821 1131434255 /nfs/dbraw/zinc/43/42/55/1131434255.db2.gz IJOYIYCTROMXOF-UONOGXRCSA-N 0 3 268.360 3.624 20 30 CHEDHN C=C(C)CCNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000830544380 1131461578 /nfs/dbraw/zinc/46/15/78/1131461578.db2.gz KBSZOWINNQPFLK-UHFFFAOYSA-N 0 3 299.773 3.580 20 30 CHEDHN C#C[C@H](NCc1cc2cc(Cl)cnc2o1)C(C)(C)C ZINC000824401364 1131467727 /nfs/dbraw/zinc/46/77/27/1131467727.db2.gz DGYZKHOMCPBTMM-ZDUSSCGKSA-N 0 3 276.767 3.619 20 30 CHEDHN Cc1c2ccccc2[nH]c1CN1CCC[C@@H](C#N)CC1 ZINC001138401429 1131499342 /nfs/dbraw/zinc/49/93/42/1131499342.db2.gz FUYVNFMTVJCFMH-CQSZACIVSA-N 0 3 267.376 3.602 20 30 CHEDHN C#Cc1ccc(CN[C@@H]2CCCN(C)c3ccccc32)cc1 ZINC000825117472 1131499933 /nfs/dbraw/zinc/49/99/33/1131499933.db2.gz DYOXVKWCLHLFNQ-LJQANCHMSA-N 0 3 290.410 3.729 20 30 CHEDHN C#Cc1cccc(CNCc2ccc(CC)s2)c1 ZINC000825227119 1131503684 /nfs/dbraw/zinc/50/36/84/1131503684.db2.gz QLTHVCOHAXIOBL-UHFFFAOYSA-N 0 3 255.386 3.582 20 30 CHEDHN C#CCOc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1 ZINC001138556108 1131520169 /nfs/dbraw/zinc/52/01/69/1131520169.db2.gz GGCMGACXGVAQJK-INIZCTEOSA-N 0 3 291.394 3.818 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1[O-] ZINC001138624305 1131527722 /nfs/dbraw/zinc/52/77/22/1131527722.db2.gz CKVQYOMWYFZQSS-GFCCVEGCSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1[O-] ZINC001138624305 1131527723 /nfs/dbraw/zinc/52/77/23/1131527723.db2.gz CKVQYOMWYFZQSS-GFCCVEGCSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1[O-] ZINC001138624306 1131527810 /nfs/dbraw/zinc/52/78/10/1131527810.db2.gz CKVQYOMWYFZQSS-LBPRGKRZSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1[O-] ZINC001138624306 1131527814 /nfs/dbraw/zinc/52/78/14/1131527814.db2.gz CKVQYOMWYFZQSS-LBPRGKRZSA-N 0 3 281.346 3.598 20 30 CHEDHN C=CCc1cccc(C[N@H+](CC)Cc2ccncc2)c1[O-] ZINC001138624511 1131528296 /nfs/dbraw/zinc/52/82/96/1131528296.db2.gz MZISVOYJBXJXEY-UHFFFAOYSA-N 0 3 282.387 3.538 20 30 CHEDHN C=CCc1cccc(C[N@@H+](CC)Cc2ccncc2)c1[O-] ZINC001138624511 1131528299 /nfs/dbraw/zinc/52/82/99/1131528299.db2.gz MZISVOYJBXJXEY-UHFFFAOYSA-N 0 3 282.387 3.538 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c1[O-] ZINC001138625518 1131528563 /nfs/dbraw/zinc/52/85/63/1131528563.db2.gz NMCPWQQKRWCRBQ-UHFFFAOYSA-N 0 3 295.373 3.988 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c1[O-] ZINC001138625518 1131528566 /nfs/dbraw/zinc/52/85/66/1131528566.db2.gz NMCPWQQKRWCRBQ-UHFFFAOYSA-N 0 3 295.373 3.988 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CC[C@H](C)C[C@H]2C)c1[O-] ZINC001138628678 1131529771 /nfs/dbraw/zinc/52/97/71/1131529771.db2.gz ZLPALQUIWWOXMB-UONOGXRCSA-N 0 3 259.393 3.741 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2C)c1[O-] ZINC001138628678 1131529774 /nfs/dbraw/zinc/52/97/74/1131529774.db2.gz ZLPALQUIWWOXMB-UONOGXRCSA-N 0 3 259.393 3.741 20 30 CHEDHN C=CCc1cccc(CN2CCc3cc(F)ccc3C2)c1O ZINC001138629564 1131529962 /nfs/dbraw/zinc/52/99/62/1131529962.db2.gz DITARMLYWUFLGN-UHFFFAOYSA-N 0 3 297.373 3.818 20 30 CHEDHN C#CC(C)(C)N(C)Cc1cccc(OCc2ccccn2)c1 ZINC000844319649 1131551934 /nfs/dbraw/zinc/55/19/34/1131551934.db2.gz DAIZEVNMTYCAMN-UHFFFAOYSA-N 0 3 294.398 3.504 20 30 CHEDHN C=CCOc1ccccc1CN1CC[C@H]2CCC[C@@H]2C1 ZINC001139029163 1131574740 /nfs/dbraw/zinc/57/47/40/1131574740.db2.gz QBLZGPSGZIFIOM-HZPDHXFCSA-N 0 3 271.404 3.873 20 30 CHEDHN N#Cc1ccnc(-c2ccc(CN3CC4(CCC4)C3)cc2)c1 ZINC001139401567 1131606791 /nfs/dbraw/zinc/60/67/91/1131606791.db2.gz DEHHNLLSNXNNSG-UHFFFAOYSA-N 0 3 289.382 3.606 20 30 CHEDHN CC(C)N(Cc1cccc(Cl)c1C#N)C(C)C ZINC001139690191 1131628724 /nfs/dbraw/zinc/62/87/24/1131628724.db2.gz SDDQZXZLBLABPQ-UHFFFAOYSA-N 0 3 250.773 3.830 20 30 CHEDHN CCCN(CCC)Cc1cccc(Cl)c1C#N ZINC001139688848 1131629311 /nfs/dbraw/zinc/62/93/11/1131629311.db2.gz BUNYHCMACDBRDS-UHFFFAOYSA-N 0 3 250.773 3.834 20 30 CHEDHN CN(Cc1ccsc1)Cc1c[nH]c2c1cccc2C#N ZINC001139703769 1131629837 /nfs/dbraw/zinc/62/98/37/1131629837.db2.gz UEZJWORBDFKLCD-UHFFFAOYSA-N 0 3 281.384 3.733 20 30 CHEDHN CN(Cc1c[nH]c2c1cccc2C#N)Cc1ccc(F)cc1 ZINC001139701757 1131630439 /nfs/dbraw/zinc/63/04/39/1131630439.db2.gz PBJGSIOGEZNUQS-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN C=CCn1cc(CN2CCC[C@@H]2c2ccc(C)cc2)cn1 ZINC001139770762 1131636386 /nfs/dbraw/zinc/63/63/86/1131636386.db2.gz ZTSIFWZFQPQQJP-GOSISDBHSA-N 0 3 281.403 3.715 20 30 CHEDHN C=CCN(Cc1cnc(OC)c(F)c1)C1CCCCC1 ZINC001144473225 1131643229 /nfs/dbraw/zinc/64/32/29/1131643229.db2.gz RMBNZVZWVLQTSC-UHFFFAOYSA-N 0 3 278.371 3.550 20 30 CHEDHN N#Cc1ccc2c(c1)CCN(Cc1ccccc1C1CC1)C2 ZINC001139880935 1131645827 /nfs/dbraw/zinc/64/58/27/1131645827.db2.gz LFQMUHZQDHYDRT-UHFFFAOYSA-N 0 3 288.394 3.994 20 30 CHEDHN Cc1ccc(CN2CCC(c3cccc(C#N)c3)CC2)cn1 ZINC001139932720 1131650856 /nfs/dbraw/zinc/65/08/56/1131650856.db2.gz LSBMJNRRABRHBD-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN C#CCN(Cc1ccc(C#C)cc1)[C@@H]1CCc2ccccc21 ZINC001144576610 1131662285 /nfs/dbraw/zinc/66/22/85/1131662285.db2.gz PSIWGMKJMJYUAM-OAQYLSRUSA-N 0 3 285.390 3.791 20 30 CHEDHN CCCCCCCN(C)Cc1ccc(O)cc1F ZINC001140127528 1131664980 /nfs/dbraw/zinc/66/49/80/1131664980.db2.gz XYRXHGITACFIJB-UHFFFAOYSA-N 0 3 253.361 3.934 20 30 CHEDHN N#Cc1ccc2[nH]cc(CN3CCc4ccccc4C3)c2c1 ZINC001140111476 1131665128 /nfs/dbraw/zinc/66/51/28/1131665128.db2.gz KJMRUDJEYRZFIY-UHFFFAOYSA-N 0 3 287.366 3.598 20 30 CHEDHN CCCCCCC[C@@H](C)CN[C@@H]1CCn2ccnc21 ZINC000834527193 1131681935 /nfs/dbraw/zinc/68/19/35/1131681935.db2.gz XUJIKJWKHDUCSS-HUUCEWRRSA-N 0 3 263.429 3.914 20 30 CHEDHN CCCCCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000834701529 1131695669 /nfs/dbraw/zinc/69/56/69/1131695669.db2.gz DUKVWGSIVDMBLY-MRXNPFEDSA-N 0 3 290.386 3.593 20 30 CHEDHN C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000834890435 1131719783 /nfs/dbraw/zinc/71/97/83/1131719783.db2.gz JTXQJUNVUWUOTJ-OAHLLOKOSA-N 0 3 295.382 3.563 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834895201 1131721648 /nfs/dbraw/zinc/72/16/48/1131721648.db2.gz XGDPLVFEHLUWLA-GLQYFDAESA-N 0 3 295.810 3.738 20 30 CHEDHN C#Cc1cccc(CN[C@@H](c2cccnc2)C(C)C)c1 ZINC000834902551 1131724890 /nfs/dbraw/zinc/72/48/90/1131724890.db2.gz JJCUBVPYJMSBPR-GOSISDBHSA-N 0 3 264.372 3.550 20 30 CHEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000834901628 1131725930 /nfs/dbraw/zinc/72/59/30/1131725930.db2.gz AQIYUVBIULDACV-AWEZNQCLSA-N 0 3 295.382 3.536 20 30 CHEDHN C#Cc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000834902539 1131725956 /nfs/dbraw/zinc/72/59/56/1131725956.db2.gz IQHMDBIOJPARID-GOSISDBHSA-N 0 3 277.367 3.541 20 30 CHEDHN C#Cc1cccc(CN[C@H]2CCCOc3ccc(C)cc32)c1 ZINC000834902999 1131726884 /nfs/dbraw/zinc/72/68/84/1131726884.db2.gz NFYSOWDXCAKEOL-IBGZPJMESA-N 0 3 291.394 3.980 20 30 CHEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3o2)CC=CCC1 ZINC000835076338 1131767684 /nfs/dbraw/zinc/76/76/84/1131767684.db2.gz HQQMJCFJRWUHKV-SJCJKPOMSA-N 0 3 280.327 3.750 20 30 CHEDHN CC(C)(C(=O)C(C#N)c1nc2ccccc2o1)C1CCC1 ZINC000835076158 1131767972 /nfs/dbraw/zinc/76/79/72/1131767972.db2.gz DPYNELLISZWOHO-LBPRGKRZSA-N 0 3 282.343 3.830 20 30 CHEDHN Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000772959770 1131777744 /nfs/dbraw/zinc/77/77/44/1131777744.db2.gz NMFZOFDPHBKHHN-CABCVRRESA-N 0 3 295.386 3.704 20 30 CHEDHN C[C@@H]1C[C@@H](C)CN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140602177 1131822839 /nfs/dbraw/zinc/82/28/39/1131822839.db2.gz FYPQSSUHPJRDIR-VXGBXAGGSA-N 0 3 262.784 3.690 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CCC3(CCCC3)C2)c1 ZINC001140601644 1131823742 /nfs/dbraw/zinc/82/37/42/1131823742.db2.gz WSNCEWLRNRVHRJ-UHFFFAOYSA-N 0 3 274.795 3.978 20 30 CHEDHN COc1cc(CN[C@H](C)c2cccc(C)c2)ccc1C#N ZINC000234950214 1131840023 /nfs/dbraw/zinc/84/00/23/1131840023.db2.gz OQBREKREKFCLPO-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN CC[C@H]1CCCCN1Cc1cccc(C#N)c1Cl ZINC001140810190 1131932973 /nfs/dbraw/zinc/93/29/73/1131932973.db2.gz XPMXNRBHYSNJMP-AWEZNQCLSA-N 0 3 262.784 3.976 20 30 CHEDHN CN(Cc1cccc(C#N)c1Cl)CC1CC(F)(F)C1 ZINC001140809684 1131933126 /nfs/dbraw/zinc/93/31/26/1131933126.db2.gz CDHNSSDSRBRWJR-UHFFFAOYSA-N 0 3 284.737 3.689 20 30 CHEDHN C[C@@H](Oc1ccc2c(c1)CCN(C)C2)c1ccccc1C#N ZINC001228945281 1131983333 /nfs/dbraw/zinc/98/33/33/1131983333.db2.gz SPUVJYJIAPUMIO-CQSZACIVSA-N 0 3 292.382 3.686 20 30 CHEDHN C=CCN1CCN(Cc2ccccc2-c2cccs2)CC1 ZINC001141094893 1132016810 /nfs/dbraw/zinc/01/68/10/1132016810.db2.gz CGXJERKBSFMJEY-UHFFFAOYSA-N 0 3 298.455 3.719 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141117971 1132021473 /nfs/dbraw/zinc/02/14/73/1132021473.db2.gz FLTOCSXLTJMKBB-OAHLLOKOSA-N 0 3 294.373 3.733 20 30 CHEDHN CC1(C)CCc2cc(CN3CCC[C@@H](C#N)CC3)ccc2O1 ZINC001141183489 1132035978 /nfs/dbraw/zinc/03/59/78/1132035978.db2.gz JGGUOKWJDPFXCB-OAHLLOKOSA-N 0 3 298.430 3.916 20 30 CHEDHN C=CCC[C@H](CC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229301830 1132050612 /nfs/dbraw/zinc/05/06/12/1132050612.db2.gz CXCXWNAJJIBJLD-INIZCTEOSA-N 0 3 289.419 3.945 20 30 CHEDHN CC[C@@H](C)OCC[C@@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001172332893 1132172189 /nfs/dbraw/zinc/17/21/89/1132172189.db2.gz VFTAGTMIZFNZJM-HUUCEWRRSA-N 0 3 286.419 3.510 20 30 CHEDHN CCCCCCC[C@H](CC)N1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172355543 1132184826 /nfs/dbraw/zinc/18/48/26/1132184826.db2.gz CIHCWDLCBYJNQH-JYJNAYRXSA-N 0 3 291.426 3.870 20 30 CHEDHN N#CCCOCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000839185191 1132188277 /nfs/dbraw/zinc/18/82/77/1132188277.db2.gz WRVZMQDTSVZKRC-SFHVURJKSA-N 0 3 298.430 3.924 20 30 CHEDHN C[C@H](C#N)OCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000839184719 1132188423 /nfs/dbraw/zinc/18/84/23/1132188423.db2.gz NPJYFTVEARFFAS-AEFFLSMTSA-N 0 3 298.430 3.922 20 30 CHEDHN C#CCN(C)Cc1ccc2cc(Br)ccc2c1 ZINC001141618557 1132208896 /nfs/dbraw/zinc/20/88/96/1132208896.db2.gz CENOMDPMOVSKTQ-UHFFFAOYSA-N 0 3 288.188 3.667 20 30 CHEDHN CCCCCC[C@H](CCC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172387540 1132213424 /nfs/dbraw/zinc/21/34/24/1132213424.db2.gz LNQAJNPETFDULX-KKUMJFAQSA-N 0 3 286.460 3.635 20 30 CHEDHN C[C@H](CCCC#N)N[C@H](c1ccccc1)c1ccccn1 ZINC001172482419 1132229285 /nfs/dbraw/zinc/22/92/85/1132229285.db2.gz GONQGGILBSYWQA-CRAIPNDOSA-N 0 3 279.387 3.843 20 30 CHEDHN CCC[C@H]1CCCCN1Cc1ccc(C#N)c(SC)n1 ZINC001141939901 1132269854 /nfs/dbraw/zinc/26/98/54/1132269854.db2.gz VPRZQOLLVRAGEB-HNNXBMFYSA-N 0 3 289.448 3.830 20 30 CHEDHN N=C(NC1CCC2(CCCC2)CC1)c1ccc(Cl)cn1 ZINC001172726728 1132299798 /nfs/dbraw/zinc/29/97/98/1132299798.db2.gz ZVIADOWTSLQHRO-UHFFFAOYSA-N 0 3 291.826 3.943 20 30 CHEDHN C#CC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000840935707 1132310527 /nfs/dbraw/zinc/31/05/27/1132310527.db2.gz AWKOVEGTMIZAGL-HXUWFJFHSA-N 0 3 292.426 3.915 20 30 CHEDHN C[C@@H](Cc1c(F)cccc1Cl)NCc1ccc(C#N)o1 ZINC001172853307 1132340565 /nfs/dbraw/zinc/34/05/65/1132340565.db2.gz ZITGIBRHUREPOQ-JTQLQIEISA-N 0 3 292.741 3.665 20 30 CHEDHN C#CCN(Cc1cccc(C#C)c1)[C@@H]1CCc2ccccc21 ZINC001231664077 1132341176 /nfs/dbraw/zinc/34/11/76/1132341176.db2.gz VKQNDYIBUPPQIT-OAQYLSRUSA-N 0 3 285.390 3.791 20 30 CHEDHN C#CCN(C)Cc1ccccc1-c1ccc(F)cc1 ZINC001231822711 1132373828 /nfs/dbraw/zinc/37/38/28/1132373828.db2.gz HLERARQLKUYIBO-UHFFFAOYSA-N 0 3 253.320 3.558 20 30 CHEDHN CC(C)c1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001231873866 1132388183 /nfs/dbraw/zinc/38/81/83/1132388183.db2.gz HXLQSSUQPYKOTI-INIZCTEOSA-N 0 3 287.428 3.584 20 30 CHEDHN COC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232115384 1132424618 /nfs/dbraw/zinc/42/46/18/1132424618.db2.gz NHWWMBIHGOMFGM-HNNXBMFYSA-N 0 3 292.810 3.601 20 30 CHEDHN C=CCOC1CCC(NCc2c(F)ccc(F)c2F)CC1 ZINC001173311179 1132451190 /nfs/dbraw/zinc/45/11/90/1132451190.db2.gz HTQLPFKENBBBOI-UHFFFAOYSA-N 0 3 299.336 3.707 20 30 CHEDHN COc1ccc(F)c(CNC2CCC(C)(C#N)CC2)c1F ZINC001173588341 1132495317 /nfs/dbraw/zinc/49/53/17/1132495317.db2.gz BJIBUPAJSLCWCJ-UHFFFAOYSA-N 0 3 294.345 3.535 20 30 CHEDHN CC(=O)c1ccc2c(c1)CN(C1CCC(C)(C#N)CC1)CC2 ZINC001173597734 1132498329 /nfs/dbraw/zinc/49/83/29/1132498329.db2.gz HFPSWNUWBSKXJU-UHFFFAOYSA-N 0 3 296.414 3.720 20 30 CHEDHN C=CCN(Cc1scc2c1OCCO2)C1CCCCC1 ZINC001143192630 1132516408 /nfs/dbraw/zinc/51/64/08/1132516408.db2.gz ARYHFCKPVANHCN-UHFFFAOYSA-N 0 3 293.432 3.840 20 30 CHEDHN C#Cc1ccc(CNC2(c3ccccc3C)CC2)cc1 ZINC000843419548 1132530464 /nfs/dbraw/zinc/53/04/64/1132530464.db2.gz XLQSXSXNFVUCLN-UHFFFAOYSA-N 0 3 261.368 3.755 20 30 CHEDHN CCCN(CCc1ccccn1)Cc1ccc(C)cc1C#N ZINC001232967613 1132551940 /nfs/dbraw/zinc/55/19/40/1132551940.db2.gz SAJYPHLJPNGAJP-UHFFFAOYSA-N 0 3 293.414 3.716 20 30 CHEDHN Cc1ccc(CN2CCC3(CCOC3(C)C)CC2)c(C#N)c1 ZINC001232968061 1132552456 /nfs/dbraw/zinc/55/24/56/1132552456.db2.gz CEEBPMRIUHLORB-UHFFFAOYSA-N 0 3 298.430 3.648 20 30 CHEDHN Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)c(C#N)c1 ZINC001232966209 1132553246 /nfs/dbraw/zinc/55/32/46/1132553246.db2.gz HOXVRUGNCIPFLX-SFHVURJKSA-N 0 3 290.410 3.931 20 30 CHEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000130409570 1132554194 /nfs/dbraw/zinc/55/41/94/1132554194.db2.gz GGFPBTPCBCIUGH-JKSUJKDBSA-N 0 3 284.403 3.579 20 30 CHEDHN CCCCCCCN(C)Cc1cccc(O)c1OC ZINC001233256798 1132591403 /nfs/dbraw/zinc/59/14/03/1132591403.db2.gz VZGPICVBWUWCQK-UHFFFAOYSA-N 0 3 265.397 3.803 20 30 CHEDHN C=CCC(C)(C)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001159426239 1132841045 /nfs/dbraw/zinc/84/10/45/1132841045.db2.gz FBCAYZKTPNNMLM-UHFFFAOYSA-N 0 3 299.418 3.623 20 30 CHEDHN Cc1c2[nH]cnc2ccc1N[C@H](C#N)c1ccccc1 ZINC001161717395 1133019064 /nfs/dbraw/zinc/01/90/64/1133019064.db2.gz AZFVFSAJDAIAEJ-OAHLLOKOSA-N 0 3 262.316 3.548 20 30 CHEDHN CC(C)(C)C(=N)Nc1cc(Cl)nc2[nH]cc(C#N)c21 ZINC001162661271 1133102265 /nfs/dbraw/zinc/10/22/65/1133102265.db2.gz CSIRSRWCELABDQ-UHFFFAOYSA-N 0 3 275.743 3.523 20 30 CHEDHN C#CC1(NCc2ccc(N(CC)CC)c(F)c2)CCCC1 ZINC001203470349 1133330488 /nfs/dbraw/zinc/33/04/88/1133330488.db2.gz FTRXJPUFQZJPPN-UHFFFAOYSA-N 0 3 288.410 3.708 20 30 CHEDHN CSc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001204142877 1133410857 /nfs/dbraw/zinc/41/08/57/1133410857.db2.gz WVHSEVZFPFYOIH-CYBMUJFWSA-N 0 3 260.406 3.534 20 30 CHEDHN C=CCOc1ccc(C[N@@H+](CC)Cc2ccccc2[O-])cc1 ZINC001204303996 1133432868 /nfs/dbraw/zinc/43/28/68/1133432868.db2.gz XVWVXYCBVDQYJA-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN C=CCOc1ccc(C[N@H+](CC)Cc2ccccc2[O-])cc1 ZINC001204303996 1133432870 /nfs/dbraw/zinc/43/28/70/1133432870.db2.gz XVWVXYCBVDQYJA-UHFFFAOYSA-N 0 3 297.398 3.979 20 30 CHEDHN N#C[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001204432074 1133445700 /nfs/dbraw/zinc/44/57/00/1133445700.db2.gz KYZWIZOTSQUHHF-GFCCVEGCSA-N 0 3 298.308 3.711 20 30 CHEDHN C#CCN(Cc1ccc(C)cc1OC)C1CCCCC1 ZINC001204496646 1133453978 /nfs/dbraw/zinc/45/39/78/1133453978.db2.gz IBKHNQVINOJRBL-UHFFFAOYSA-N 0 3 271.404 3.772 20 30 CHEDHN Cc1ccccc1OCCN(C)Cc1ccc(C#N)c(C)c1 ZINC001205115285 1133532083 /nfs/dbraw/zinc/53/20/83/1133532083.db2.gz NGOVYBGXWOGDSH-UHFFFAOYSA-N 0 3 294.398 3.686 20 30 CHEDHN C=CCCCCN(C)Cc1cncc(Br)c1 ZINC001206133360 1133662187 /nfs/dbraw/zinc/66/21/87/1133662187.db2.gz IUHDGMNLNRTBQJ-UHFFFAOYSA-N 0 3 283.213 3.632 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2sc(C)cc2Br)C1 ZINC001206800765 1133749831 /nfs/dbraw/zinc/74/98/31/1133749831.db2.gz MRLHYNNQIYUXJN-LLVKDONJSA-N 0 3 298.249 3.664 20 30 CHEDHN Cc1noc(C)c1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001207137938 1133771933 /nfs/dbraw/zinc/77/19/33/1133771933.db2.gz ZHLNIZWFJPJDDA-UHFFFAOYSA-N 0 3 295.386 3.543 20 30 CHEDHN Cc1cncc(CN2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001207156994 1133772848 /nfs/dbraw/zinc/77/28/48/1133772848.db2.gz QLELAJDUEGUJNX-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN C#CC1(NCc2ccc(F)cc2C(F)(F)F)CCCC1 ZINC001207293681 1133789392 /nfs/dbraw/zinc/78/93/92/1133789392.db2.gz JHLPOSMSLMOXCU-UHFFFAOYSA-N 0 3 285.284 3.880 20 30 CHEDHN C=CC(C)(C)CCCNCc1ccncc1Br ZINC001207449360 1133803375 /nfs/dbraw/zinc/80/33/75/1133803375.db2.gz XLBWHOARZKVBQX-UHFFFAOYSA-N 0 3 297.240 3.926 20 30 CHEDHN CCCCCCC/C=C/CN1CCC[C@H](n2cncn2)C1 ZINC001208118434 1133878123 /nfs/dbraw/zinc/87/81/23/1133878123.db2.gz HACQCLNAGLFGJP-IJDCCNJMSA-N 0 3 290.455 3.832 20 30 CHEDHN N#CC1CCN(CCCc2ccccc2C(F)(F)F)CC1 ZINC001208830194 1133948954 /nfs/dbraw/zinc/94/89/54/1133948954.db2.gz WEOWHLXIYXWIPS-UHFFFAOYSA-N 0 3 296.336 3.874 20 30 CHEDHN CN1CC=C(Nc2ccc(C3(C#N)CCCC3)cc2)CC1 ZINC001208858771 1133953771 /nfs/dbraw/zinc/95/37/71/1133953771.db2.gz RCFRGZAINBIWMN-UHFFFAOYSA-N 0 3 281.403 3.653 20 30 CHEDHN CN1CC=C(Nc2cccc(C#C[Si](C)(C)C)c2)CC1 ZINC001208979052 1133969364 /nfs/dbraw/zinc/96/93/64/1133969364.db2.gz GUPASBIDXZQHFQ-UHFFFAOYSA-N 0 3 284.479 3.547 20 30 CHEDHN C=CCCCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209165046 1133983820 /nfs/dbraw/zinc/98/38/20/1133983820.db2.gz NSMCOIJDKXOFNL-UHFFFAOYSA-N 0 3 272.367 3.649 20 30 CHEDHN C=CCCCCN1CCc2ncc(C(F)(F)F)cc2C1 ZINC001209204555 1133988376 /nfs/dbraw/zinc/98/83/76/1133988376.db2.gz GCBHIRUVUKMWCM-UHFFFAOYSA-N 0 3 284.325 3.815 20 30 CHEDHN C#CCCCN1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001209269697 1133999835 /nfs/dbraw/zinc/99/98/35/1133999835.db2.gz NVMDLDYMUFDARS-UHFFFAOYSA-N 0 3 297.229 3.529 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209721737 1134053442 /nfs/dbraw/zinc/05/34/42/1134053442.db2.gz MOWKQOFQWITKBS-LBPRGKRZSA-N 0 3 272.779 3.667 20 30 CHEDHN SC1CCN(Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209721378 1134053494 /nfs/dbraw/zinc/05/34/94/1134053494.db2.gz HMEHMUSACCOJMC-UHFFFAOYSA-N 0 3 280.824 3.716 20 30 CHEDHN Cc1ccc(C#N)cc1Nc1ccc2c(c1)CN(C)CC2 ZINC001210504889 1134232099 /nfs/dbraw/zinc/23/20/99/1134232099.db2.gz DDJTWVYMWIKRSH-UHFFFAOYSA-N 0 3 277.371 3.598 20 30 CHEDHN CN1CCc2ccc(Nc3cc(Cl)cc(C#N)c3)cc2C1 ZINC001210540099 1134242922 /nfs/dbraw/zinc/24/29/22/1134242922.db2.gz QZLGIINKEBNRMP-UHFFFAOYSA-N 0 3 297.789 3.943 20 30 CHEDHN COc1ccc(Nc2ccnc(C3CC3)c2)cc1C#N ZINC001214998826 1134591742 /nfs/dbraw/zinc/59/17/42/1134591742.db2.gz JLMPGPWBVAYYGU-UHFFFAOYSA-N 0 3 265.316 3.583 20 30 CHEDHN C=C[C@@H](CCCCCCC)OC[C@@H]1COC(C)(C)N1 ZINC001217884479 1135016639 /nfs/dbraw/zinc/01/66/39/1135016639.db2.gz OAZUFHANLGEOCU-CABCVRRESA-N 0 3 269.429 3.643 20 30 CHEDHN F[C@@H]1CNCC[C@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001218066262 1135053347 /nfs/dbraw/zinc/05/33/47/1135053347.db2.gz KHDBLMGMPDHDEN-SJLPKXTDSA-N 0 3 298.361 3.516 20 30 CHEDHN CCCCCCCCCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC001221293375 1135173264 /nfs/dbraw/zinc/17/32/64/1135173264.db2.gz FKWGHSHQSXAKND-MRXNPFEDSA-N 0 3 297.487 3.521 20 30 CHEDHN Cc1cc(C#N)cc(C)c1-c1cnccc1/C=C/N(C)C ZINC001222673121 1135263077 /nfs/dbraw/zinc/26/30/77/1135263077.db2.gz WYFFXKACEKKWRO-SOFGYWHQSA-N 0 3 277.371 3.769 20 30 CHEDHN C=CCCCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224506589 1135454675 /nfs/dbraw/zinc/45/46/75/1135454675.db2.gz XBJLGRYDVHQEMU-JQHSSLGASA-N 0 3 293.451 3.724 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)c(F)c1 ZINC000574258264 335004488 /nfs/dbraw/zinc/00/44/88/335004488.db2.gz XMPVVZBKWZWVAO-SNVBAGLBSA-N 0 3 266.747 3.824 20 30 CHEDHN C=CCCN(Cc1ccccn1)Cc1ccccc1C ZINC000574404238 335016940 /nfs/dbraw/zinc/01/69/40/335016940.db2.gz MWQPAGSOAXEWEV-UHFFFAOYSA-N 0 3 266.388 3.968 20 30 CHEDHN CCC1CCC(N(Cc2ccc(C#N)cn2)C2CC2)CC1 ZINC000574824691 335050850 /nfs/dbraw/zinc/05/08/50/335050850.db2.gz YBUZDQSLVSCSOY-UHFFFAOYSA-N 0 3 283.419 3.886 20 30 CHEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCCc3sccc32)C1 ZINC000193295634 262220078 /nfs/dbraw/zinc/22/00/78/262220078.db2.gz HIZNBTUJCKCVQQ-SGMGOOAPSA-N 0 3 260.406 3.797 20 30 CHEDHN C[C@H](N[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1F ZINC000512648856 260025107 /nfs/dbraw/zinc/02/51/07/260025107.db2.gz PFPAYXQGBHMWOH-XHDPSFHLSA-N 0 3 260.356 3.927 20 30 CHEDHN C[C@@H](NCC1(CC#N)CC1)c1nccc2ccccc21 ZINC000353639432 533356764 /nfs/dbraw/zinc/35/67/64/533356764.db2.gz SVWKQBFLUOSQTP-CYBMUJFWSA-N 0 3 265.360 3.579 20 30 CHEDHN COc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000341757804 130026000 /nfs/dbraw/zinc/02/60/00/130026000.db2.gz LMIKZUMVYHXSNY-SFHVURJKSA-N 0 3 292.382 3.734 20 30 CHEDHN C[C@H](N[C@H]1CCc2ccccc21)c1ccc(C#N)cc1 ZINC000020129739 171017804 /nfs/dbraw/zinc/01/78/04/171017804.db2.gz ZOCIJOHTHNQSJU-UGSOOPFHSA-N 0 3 262.356 3.896 20 30 CHEDHN C[C@H](NCc1cccc(C#N)c1)c1cccc(F)c1 ZINC000020147811 171035412 /nfs/dbraw/zinc/03/54/12/171035412.db2.gz SZAJSIKMVRHFGC-LBPRGKRZSA-N 0 3 254.308 3.548 20 30 CHEDHN COc1ccccc1-c1ccc(CNCCCC#N)cc1 ZINC000344331927 225030460 /nfs/dbraw/zinc/03/04/60/225030460.db2.gz YAVIMNNDNOXNPS-UHFFFAOYSA-N 0 3 280.371 3.756 20 30 CHEDHN N#C[C@@H]1CC[C@@H](N2CCC(F)(c3ccccc3)CC2)C1 ZINC000335812700 226871567 /nfs/dbraw/zinc/87/15/67/226871567.db2.gz GQHUZLJQZRWACY-GDBMZVCRSA-N 0 3 272.367 3.639 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@@H](Oc3ccccc3)C2)cc1 ZINC000418098993 228047944 /nfs/dbraw/zinc/04/79/44/228047944.db2.gz MUXQLTPXPKDRRU-LJQANCHMSA-N 0 3 292.382 3.602 20 30 CHEDHN N#C[C@@H]1CC[C@H](N2Cc3ccccc3C3(CCC3)C2)C1 ZINC000336131100 228193392 /nfs/dbraw/zinc/19/33/92/228193392.db2.gz VLJSNOCTFOTOCR-ZBFHGGJFSA-N 0 3 266.388 3.616 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(F)F)CC1 ZINC000336170680 228202950 /nfs/dbraw/zinc/20/29/50/228202950.db2.gz WQFZSBDQOXMCMI-LLVKDONJSA-N 0 3 264.319 3.596 20 30 CHEDHN CN(Cc1cc(C#N)cs1)[C@@H]1CCc2ccccc21 ZINC000179908967 260079814 /nfs/dbraw/zinc/07/98/14/260079814.db2.gz NSBBUYYIVBOEQB-MRXNPFEDSA-N 0 3 268.385 3.739 20 30 CHEDHN CCOc1ccccc1CN(C)CC(C)(C)CCC#N ZINC000180040025 260090049 /nfs/dbraw/zinc/09/00/49/260090049.db2.gz XFOUVRFHPHBLBC-UHFFFAOYSA-N 0 3 274.408 3.847 20 30 CHEDHN C=CCOc1ccccc1CNCc1sccc1C ZINC000075675494 260166163 /nfs/dbraw/zinc/16/61/63/260166163.db2.gz AFPSTCWTICVOGO-UHFFFAOYSA-N 0 3 273.401 3.911 20 30 CHEDHN C=CCOc1ccc(CNCc2cccc(COC)c2)cc1 ZINC000077289188 260166999 /nfs/dbraw/zinc/16/69/99/260166999.db2.gz NOHFEGJSEYVHST-UHFFFAOYSA-N 0 3 297.398 3.688 20 30 CHEDHN C[C@H](NCc1cnc2ccccc2c1)c1ccc(C#N)cc1 ZINC000317301535 260172327 /nfs/dbraw/zinc/17/23/27/260172327.db2.gz RXQNPCUFHQLISO-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)s1 ZINC000309506171 260172406 /nfs/dbraw/zinc/17/24/06/260172406.db2.gz BZAHBMZNMBKTHN-GUBZILKMSA-N 0 3 254.786 3.744 20 30 CHEDHN C=CCCCC[C@H](C)[NH2+][C@H](C)c1nnc(C(C)C)[n-]1 ZINC000449207928 260294643 /nfs/dbraw/zinc/29/46/43/260294643.db2.gz RTPZGCTVTIMCMG-QWHCGFSZSA-N 0 3 264.417 3.714 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000449207928 260294644 /nfs/dbraw/zinc/29/46/44/260294644.db2.gz RTPZGCTVTIMCMG-QWHCGFSZSA-N 0 3 264.417 3.714 20 30 CHEDHN C=C(C)COCCN[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000090450702 260358912 /nfs/dbraw/zinc/35/89/12/260358912.db2.gz KENRDEHYBQRYAX-MRXNPFEDSA-N 0 3 292.379 3.618 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)s1 ZINC000155071415 261097583 /nfs/dbraw/zinc/09/75/83/261097583.db2.gz QAJMKARXTMWPPF-AWEZNQCLSA-N 0 3 268.385 3.609 20 30 CHEDHN Cc1cnc(CCN(C)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000157563052 261148694 /nfs/dbraw/zinc/14/86/94/261148694.db2.gz KQIDYNUYYHXUII-CYBMUJFWSA-N 0 3 285.416 3.559 20 30 CHEDHN C=CCC[C@H](N[C@H]1CCc2nc(C)ncc2C1)c1ccco1 ZINC000367603294 261305867 /nfs/dbraw/zinc/30/58/67/261305867.db2.gz YWPQVSOXNZZBEV-RDJZCZTQSA-N 0 3 297.402 3.532 20 30 CHEDHN C[C@@H](CNc1cccc(F)c1C#N)N(C)Cc1ccccc1 ZINC000301272996 261331187 /nfs/dbraw/zinc/33/11/87/261331187.db2.gz RFFIPVWSTLNGCE-AWEZNQCLSA-N 0 3 297.377 3.630 20 30 CHEDHN C[C@H]([NH2+]CCCCC#N)c1cc2c(cc1[O-])CCCC2 ZINC000185339385 262051685 /nfs/dbraw/zinc/05/16/85/262051685.db2.gz CFPLMDNAWZKVNL-ZDUSSCGKSA-N 0 3 272.392 3.615 20 30 CHEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccc3)CC2)o1 ZINC000093003705 262056821 /nfs/dbraw/zinc/05/68/21/262056821.db2.gz PVVAYVJBTPOMFJ-INIZCTEOSA-N 0 3 280.371 3.921 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000497201594 262104184 /nfs/dbraw/zinc/10/41/84/262104184.db2.gz VVKMERWZDKWPMO-UHFFFAOYSA-N 0 3 286.331 3.863 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000192623197 262206688 /nfs/dbraw/zinc/20/66/88/262206688.db2.gz QAFMPXGXIVULGT-TZMCWYRMSA-N 0 3 282.309 3.877 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(C(F)F)cc2)C1 ZINC000193292870 262219725 /nfs/dbraw/zinc/21/97/25/262219725.db2.gz KFTCSVSLTJATOK-JSGCOSHPSA-N 0 3 264.319 3.796 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Cl)cc2F)C1 ZINC000193311196 262220467 /nfs/dbraw/zinc/22/04/67/262220467.db2.gz URCHXXQNJGXJCK-MFKMUULPSA-N 0 3 266.747 3.651 20 30 CHEDHN CSCc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000193327537 262220502 /nfs/dbraw/zinc/22/05/02/262220502.db2.gz AGGXLCFMYBDCNV-BBRMVZONSA-N 0 3 274.433 3.722 20 30 CHEDHN C=CCCOCCNCc1ccc(Cl)c2cccnc12 ZINC000120797018 262230594 /nfs/dbraw/zinc/23/05/94/262230594.db2.gz YKXWFLDPJQFOKV-UHFFFAOYSA-N 0 3 290.794 3.571 20 30 CHEDHN Cc1c(Cl)cccc1C(=O)C(C#N)c1ccccn1 ZINC000195206771 262248081 /nfs/dbraw/zinc/24/80/81/262248081.db2.gz OXRRUQUPCIUPEG-GFCCVEGCSA-N 0 3 270.719 3.534 20 30 CHEDHN C=CCC[C@H](CCC)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000364671634 262256637 /nfs/dbraw/zinc/25/66/37/262256637.db2.gz HYGBPHMDENOVDT-JKSUJKDBSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CCC[C@H](CCC)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000364671634 262256638 /nfs/dbraw/zinc/25/66/38/262256638.db2.gz HYGBPHMDENOVDT-JKSUJKDBSA-N 0 3 284.407 3.619 20 30 CHEDHN C=CCC[C@H](CCC)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364671634 262256639 /nfs/dbraw/zinc/25/66/39/262256639.db2.gz HYGBPHMDENOVDT-JKSUJKDBSA-N 0 3 284.407 3.619 20 30 CHEDHN COc1ccccc1[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000365234088 262353214 /nfs/dbraw/zinc/35/32/14/262353214.db2.gz MKFYGVVJOGSPOW-GOSISDBHSA-N 0 3 291.394 3.536 20 30 CHEDHN CCC1(C)CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000060941622 262391661 /nfs/dbraw/zinc/39/16/61/262391661.db2.gz MTDWYROFZGZYHS-UHFFFAOYSA-N 0 3 260.356 3.709 20 30 CHEDHN CCCOc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000411459897 262694365 /nfs/dbraw/zinc/69/43/65/262694365.db2.gz ZUYWGNKOCJJDLV-KBPBESRZSA-N 0 3 290.407 3.827 20 30 CHEDHN N#CCOc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000267093685 262923509 /nfs/dbraw/zinc/92/35/09/262923509.db2.gz XTLQXNPDTDELJD-SFHVURJKSA-N 0 3 296.345 3.505 20 30 CHEDHN COc1ccc(C)cc1[C@@H](C)NCCC(C)(C)C#N ZINC000272035706 263001360 /nfs/dbraw/zinc/00/13/60/263001360.db2.gz PZLMYUIFCCPPOM-CYBMUJFWSA-N 0 3 260.381 3.594 20 30 CHEDHN CC(C)(C#N)CCNC(C)(C)c1ccc(F)c(F)c1 ZINC000272033868 263001481 /nfs/dbraw/zinc/00/14/81/263001481.db2.gz PNUMMWGVLRXWQU-UHFFFAOYSA-N 0 3 266.335 3.729 20 30 CHEDHN CCN(CCc1cccs1)CCC(C)(C)C#N ZINC000272047839 263001780 /nfs/dbraw/zinc/00/17/80/263001780.db2.gz SNMOYVIYQYDAAE-UHFFFAOYSA-N 0 3 250.411 3.552 20 30 CHEDHN CSc1ccc([C@@H](C)NCCCC#N)cc1F ZINC000273164603 263013567 /nfs/dbraw/zinc/01/35/67/263013567.db2.gz AOWOYQQZQBIAGG-SNVBAGLBSA-N 0 3 252.358 3.502 20 30 CHEDHN COc1ccc2cc(CN3CCC(C)(C#N)CC3)ccc2c1 ZINC000272515359 263005597 /nfs/dbraw/zinc/00/55/97/263005597.db2.gz JYJLZZUULWDGIO-UHFFFAOYSA-N 0 3 294.398 3.974 20 30 CHEDHN CSc1ccc([C@H](C)NCCCC#N)cc1F ZINC000273164602 263013419 /nfs/dbraw/zinc/01/34/19/263013419.db2.gz AOWOYQQZQBIAGG-JTQLQIEISA-N 0 3 252.358 3.502 20 30 CHEDHN C[C@@H]1C[C@@H](NCCCC#N)c2cccc(Br)c21 ZINC000273314796 263015296 /nfs/dbraw/zinc/01/52/96/263015296.db2.gz XTPJYCHGHCHZOZ-ZWNOBZJWSA-N 0 3 293.208 3.891 20 30 CHEDHN CN(CCCCC#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000276260415 263035261 /nfs/dbraw/zinc/03/52/61/263035261.db2.gz AXWZZAUBRPMQLZ-SFHVURJKSA-N 0 3 284.403 3.651 20 30 CHEDHN CC[C@H](N[C@@H](C)CCC#N)c1cc(F)ccc1F ZINC000276273833 263035514 /nfs/dbraw/zinc/03/55/14/263035514.db2.gz DMABNQOASYEDOJ-HZMBPMFUSA-N 0 3 252.308 3.698 20 30 CHEDHN C[C@@H](CCC#N)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000276273879 263035568 /nfs/dbraw/zinc/03/55/68/263035568.db2.gz DMYMAJFMMPRSBG-BLLLJJGKSA-N 0 3 260.356 3.949 20 30 CHEDHN CC[C@@H](N[C@@H](C)CCC#N)c1cc(F)ccc1F ZINC000276273837 263035588 /nfs/dbraw/zinc/03/55/88/263035588.db2.gz DMABNQOASYEDOJ-IINYFYTJSA-N 0 3 252.308 3.698 20 30 CHEDHN CC[C@@H](N[C@H](C)CCC#N)c1cc(F)ccc1F ZINC000276273839 263035767 /nfs/dbraw/zinc/03/57/67/263035767.db2.gz DMABNQOASYEDOJ-QMTHXVAHSA-N 0 3 252.308 3.698 20 30 CHEDHN CN(Cc1ccc(Br)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278746284 263050388 /nfs/dbraw/zinc/05/03/88/263050388.db2.gz WTNOYPLTEWAVBF-OCCSQVGLSA-N 0 3 293.208 3.573 20 30 CHEDHN Cc1ccc(C)c(OC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000278761265 263050564 /nfs/dbraw/zinc/05/05/64/263050564.db2.gz XVOARCDFFCCVRN-DLBZAZTESA-N 0 3 298.430 3.839 20 30 CHEDHN CCOc1ccccc1[C@H](CC)N[C@H]1CC[C@H](C#N)C1 ZINC000281997179 263073408 /nfs/dbraw/zinc/07/34/08/263073408.db2.gz PZNQNWMZHFADHR-DZKIICNBSA-N 0 3 272.392 3.818 20 30 CHEDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2CCC(C#N)CC2)c1 ZINC000282135867 263074639 /nfs/dbraw/zinc/07/46/39/263074639.db2.gz BQGROFNYXYDUPG-WLYUNCDWSA-N 0 3 272.392 3.681 20 30 CHEDHN C[C@@H](NCC1CCC(C#N)CC1)c1cccc(F)c1F ZINC000282302144 263075745 /nfs/dbraw/zinc/07/57/45/263075745.db2.gz MKVMJQMCLDWEJA-PNESKVBLSA-N 0 3 278.346 3.945 20 30 CHEDHN CCCC[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1[O-] ZINC000283047601 263080722 /nfs/dbraw/zinc/08/07/22/263080722.db2.gz OLXJMCKHABWBCI-UHFFFAOYSA-N 0 3 284.359 3.659 20 30 CHEDHN CCCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1[O-] ZINC000283047601 263080723 /nfs/dbraw/zinc/08/07/23/263080723.db2.gz OLXJMCKHABWBCI-UHFFFAOYSA-N 0 3 284.359 3.659 20 30 CHEDHN N#CCCOCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000292868968 263135960 /nfs/dbraw/zinc/13/59/60/263135960.db2.gz SDDDQYLAQLQKRO-GOSISDBHSA-N 0 3 297.402 3.625 20 30 CHEDHN CCOc1ccc(C2=CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293715982 263147861 /nfs/dbraw/zinc/14/78/61/263147861.db2.gz FFNUANAALDWXHS-CRAIPNDOSA-N 0 3 296.414 3.867 20 30 CHEDHN CSc1ccccc1CN(C)[C@@H]1CC[C@H](C#N)C1 ZINC000294076861 263155523 /nfs/dbraw/zinc/15/55/23/263155523.db2.gz KZZJCHTXVMUTKJ-GXTWGEPZSA-N 0 3 260.406 3.533 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C2CC2)c1 ZINC000294457657 263162092 /nfs/dbraw/zinc/16/20/92/263162092.db2.gz WAQOKMXEYYBBPB-GDZNZVCISA-N 0 3 254.377 3.907 20 30 CHEDHN CCCn1c2ccccc2nc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000295129733 263172960 /nfs/dbraw/zinc/17/29/60/263172960.db2.gz XXEGNFXBCSEUBO-GJZGRUSLSA-N 0 3 296.418 3.618 20 30 CHEDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c([O-])c1C ZINC000296439003 263191693 /nfs/dbraw/zinc/19/16/93/263191693.db2.gz MEJACNYYGMLUBC-ILXRZTDVSA-N 0 3 272.392 3.742 20 30 CHEDHN CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(C)cc1[O-] ZINC000296622555 263194348 /nfs/dbraw/zinc/19/43/48/263194348.db2.gz WZFDMRCVPIHUMZ-DZKIICNBSA-N 0 3 272.392 3.824 20 30 CHEDHN Cc1cc([C@H](C)NCc2ccc(OCC#N)cc2)cs1 ZINC000296916104 263198203 /nfs/dbraw/zinc/19/82/03/263198203.db2.gz PLNKMZGVCHCNSE-ZDUSSCGKSA-N 0 3 286.400 3.810 20 30 CHEDHN CC(C)Oc1cccc(CN(C)[C@@H](C)CCC#N)c1 ZINC000299563572 263247665 /nfs/dbraw/zinc/24/76/65/263247665.db2.gz GVDFZZDTDVDRND-AWEZNQCLSA-N 0 3 260.381 3.598 20 30 CHEDHN C=CCC1(CN[C@H](C)c2nccn2CC)CCCC1 ZINC000453364406 263251526 /nfs/dbraw/zinc/25/15/26/263251526.db2.gz LBNBOZDTZNUSHP-CQSZACIVSA-N 0 3 261.413 3.690 20 30 CHEDHN C=CCC[C@H](C)NCC(=O)Nc1ccc(C)cc1Cl ZINC000425375135 264203810 /nfs/dbraw/zinc/20/38/10/264203810.db2.gz YQYMGXUEFLYPOB-LBPRGKRZSA-N 0 3 280.799 3.531 20 30 CHEDHN N#CCCN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000426003180 264300312 /nfs/dbraw/zinc/30/03/12/264300312.db2.gz REYNAPHRILOYMK-ZIAGYGMSSA-N 0 3 282.309 3.845 20 30 CHEDHN C=C[C@](C)(CC)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000135164628 264557573 /nfs/dbraw/zinc/55/75/73/264557573.db2.gz RYAFTJQEAAGDCH-QGZVFWFLSA-N 0 3 274.408 3.597 20 30 CHEDHN N#Cc1cccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000367407154 267088862 /nfs/dbraw/zinc/08/88/62/267088862.db2.gz AJYIGEWTDCWSAM-RTBURBONSA-N 0 3 292.382 3.568 20 30 CHEDHN C[C@H](N[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367800388 267118873 /nfs/dbraw/zinc/11/88/73/267118873.db2.gz JBDWPZXPQPNRMP-IFXJQAMLSA-N 0 3 292.382 3.665 20 30 CHEDHN C[C@@H](CCc1ccccc1)CNCC1(C#N)CCC1 ZINC000418144945 267366133 /nfs/dbraw/zinc/36/61/33/267366133.db2.gz VZAKBSOOSHSPKO-HNNXBMFYSA-N 0 3 256.393 3.539 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccccn2)CC1 ZINC000371320162 267388589 /nfs/dbraw/zinc/38/85/89/267388589.db2.gz ZQKLAUQUQNEQHY-OAHLLOKOSA-N 0 3 291.398 3.894 20 30 CHEDHN Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(CN(C)C)c1 ZINC000185747555 327844070 /nfs/dbraw/zinc/84/40/70/327844070.db2.gz XAFWFUJGCVEVHY-ZBFHGGJFSA-N 0 3 271.408 3.551 20 30 CHEDHN CCC[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000531562463 328018246 /nfs/dbraw/zinc/01/82/46/328018246.db2.gz YYGLCSJUESEEMR-CYBMUJFWSA-N 0 3 260.356 3.709 20 30 CHEDHN CC1(C2CC2)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000571572926 328134494 /nfs/dbraw/zinc/13/44/94/328134494.db2.gz KOENAEFCPBJEMU-UHFFFAOYSA-N 0 3 271.379 3.689 20 30 CHEDHN N#CCSCCCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000267615178 328179612 /nfs/dbraw/zinc/17/96/12/328179612.db2.gz CEGGAUAPLZHJQO-MRXNPFEDSA-N 0 3 292.423 4.000 20 30 CHEDHN CCCCOc1ccc(CNCCCC#N)cc1OCC ZINC000273018796 328202829 /nfs/dbraw/zinc/20/28/29/328202829.db2.gz DIBIWUGBOLJXKS-UHFFFAOYSA-N 0 3 290.407 3.658 20 30 CHEDHN COc1ccccc1[C@@H](NCCCC#N)C1CCCC1 ZINC000273178051 328204286 /nfs/dbraw/zinc/20/42/86/328204286.db2.gz DLCVLZKKUMEKIU-KRWDZBQOSA-N 0 3 272.392 3.820 20 30 CHEDHN C=C(CN[C@H](C)c1ccc(OC)c(O)c1)c1ccccc1 ZINC000353412665 328205798 /nfs/dbraw/zinc/20/57/98/328205798.db2.gz MKQPCMXBNYHFIH-CQSZACIVSA-N 0 3 283.371 3.765 20 30 CHEDHN CC[C@@](C)(O)CN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000275894991 328216935 /nfs/dbraw/zinc/21/69/35/328216935.db2.gz QVPBNINCUUTMHY-GOSISDBHSA-N 0 3 288.435 3.589 20 30 CHEDHN CSc1cc(C)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000278797438 328230363 /nfs/dbraw/zinc/23/03/63/328230363.db2.gz QWQFXFYTNQQEQJ-HIFRSBDPSA-N 0 3 274.433 3.889 20 30 CHEDHN C[C@H]1C[C@@H]1c1ccc(CNCC2CCC(C#N)CC2)o1 ZINC000282410538 328242310 /nfs/dbraw/zinc/24/23/10/328242310.db2.gz QFOWDRDXGSKLGS-USPMSXPRSA-N 0 3 272.392 3.823 20 30 CHEDHN CSc1ccc([C@@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000282510791 328242565 /nfs/dbraw/zinc/24/25/65/328242565.db2.gz YXXKEUZQNACCPN-BZPMIXESSA-N 0 3 260.406 3.751 20 30 CHEDHN CC(F)(F)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000340426751 328275963 /nfs/dbraw/zinc/27/59/63/328275963.db2.gz NSGLNORQUNQELG-JSGCOSHPSA-N 0 3 264.319 3.580 20 30 CHEDHN C[C@H](COc1ccc(Cl)c(Cl)c1)NCCCC#N ZINC000294910847 328283755 /nfs/dbraw/zinc/28/37/55/328283755.db2.gz AZCJCJJQWKUFBP-SNVBAGLBSA-N 0 3 287.190 3.654 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000121064151 328365267 /nfs/dbraw/zinc/36/52/67/328365267.db2.gz ZQVORTYQBJZABJ-OAHLLOKOSA-N 0 3 274.408 3.528 20 30 CHEDHN CC(C)[C@@H]1CCCC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331053390 328476428 /nfs/dbraw/zinc/47/64/28/328476428.db2.gz JJMMRSTWZISSRZ-GVDBMIGSSA-N 0 3 299.418 3.939 20 30 CHEDHN C=CCC[C@H](C)NCc1c(F)cccc1N1CCCC1 ZINC000556911377 326982143 /nfs/dbraw/zinc/98/21/43/326982143.db2.gz CYZXGHWMLJDWKJ-AWEZNQCLSA-N 0 3 276.399 3.870 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1cccc2c1OCO2 ZINC000557413545 327004665 /nfs/dbraw/zinc/00/46/65/327004665.db2.gz SPICSDXDQDYAGN-CYBMUJFWSA-N 0 3 261.365 3.640 20 30 CHEDHN CC(C)CO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000557807225 327028295 /nfs/dbraw/zinc/02/82/95/327028295.db2.gz DXVPVZVCXMDCHV-HUUCEWRRSA-N 0 3 292.448 3.549 20 30 CHEDHN N#CCC[C@@H](C#N)CN[C@H]1CCCCC12CCCC2 ZINC000564868665 327038570 /nfs/dbraw/zinc/03/85/70/327038570.db2.gz HSIHFWGQQIIEJU-GJZGRUSLSA-N 0 3 259.397 3.523 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(CCC#N)CC1 ZINC000584229831 327069962 /nfs/dbraw/zinc/06/99/62/327069962.db2.gz UKBUKHKPLXTNRM-CQSZACIVSA-N 0 3 267.376 3.635 20 30 CHEDHN C[C@H](CCc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 ZINC000559073791 327140219 /nfs/dbraw/zinc/14/02/19/327140219.db2.gz IRFNXFFOUMYCRE-GFCCVEGCSA-N 0 3 296.336 3.920 20 30 CHEDHN C=CCC[C@@H](NCC(CC)(CC)CO)c1ccco1 ZINC000569516576 327188431 /nfs/dbraw/zinc/18/84/31/327188431.db2.gz NSMSXXVIAKLKIG-CQSZACIVSA-N 0 3 265.397 3.675 20 30 CHEDHN CCCN(C(=O)C(C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000531043585 327227231 /nfs/dbraw/zinc/22/72/31/327227231.db2.gz XRIXNCOZOUQYPN-STQMWFEESA-N 0 3 284.359 3.892 20 30 CHEDHN C=C1CCN(CCCSCc2ccccc2)CC1 ZINC000536378765 327234217 /nfs/dbraw/zinc/23/42/17/327234217.db2.gz MKVBLVQZMVHNOI-UHFFFAOYSA-N 0 3 261.434 3.962 20 30 CHEDHN C[C@@H]1CCC[C@H](N(C)Cc2cc(C#N)ccc2F)C1 ZINC000042373854 327237390 /nfs/dbraw/zinc/23/73/90/327237390.db2.gz KXMMZFFPPOFBFM-DOMZBBRYSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2cc(C#N)ccc2F)C1 ZINC000042373856 327237448 /nfs/dbraw/zinc/23/74/48/327237448.db2.gz KXMMZFFPPOFBFM-IUODEOHRSA-N 0 3 260.356 3.708 20 30 CHEDHN N#CC1(CN[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000560146011 327287046 /nfs/dbraw/zinc/28/70/46/327287046.db2.gz JUCZFOOFGWISTE-UKRRQHHQSA-N 0 3 274.795 3.869 20 30 CHEDHN C=CCOCCN[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000574294554 327311088 /nfs/dbraw/zinc/31/10/88/327311088.db2.gz PGMFYTPUCYJVJR-CYBMUJFWSA-N 0 3 289.375 3.685 20 30 CHEDHN C=CCC[C@H](NC[C@H](CO)Cc1ccccc1)c1ccco1 ZINC000560527836 327318736 /nfs/dbraw/zinc/31/87/36/327318736.db2.gz FUVQYJMRSZUCAM-MSOLQXFVSA-N 0 3 299.414 3.728 20 30 CHEDHN C=CCC[C@H](N[C@@H](CO)Cc1ccccc1C)c1ccco1 ZINC000560549077 327323097 /nfs/dbraw/zinc/32/30/97/327323097.db2.gz LYWPFJYIYKBAJE-MSOLQXFVSA-N 0 3 299.414 3.789 20 30 CHEDHN N#CCCNC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000560830652 327346612 /nfs/dbraw/zinc/34/66/12/327346612.db2.gz DGRUAVFDDBIECB-JAGHRAMZSA-N 0 3 288.394 3.787 20 30 CHEDHN CC(C)c1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000561018016 327358971 /nfs/dbraw/zinc/35/89/71/327358971.db2.gz QGTCDRPLHXKEHJ-NVXWUHKLSA-N 0 3 256.393 3.934 20 30 CHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)c(Cl)c1 ZINC000355095753 327376896 /nfs/dbraw/zinc/37/68/96/327376896.db2.gz BVDKZBOOEHHVCR-IUODEOHRSA-N 0 3 260.768 3.586 20 30 CHEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CCCC1 ZINC000449592803 327384445 /nfs/dbraw/zinc/38/44/45/327384445.db2.gz ZAAVYDGTNDVTKX-JKSUJKDBSA-N 0 3 292.467 3.502 20 30 CHEDHN N#Cc1ccc(CNC2CC(c3cccc(F)c3)C2)s1 ZINC000561484371 327397959 /nfs/dbraw/zinc/39/79/59/327397959.db2.gz REAVFMKMRRDGOW-UHFFFAOYSA-N 0 3 286.375 3.795 20 30 CHEDHN N#CCCCOc1cccc(CN[C@@H]2C=CCCC2)c1 ZINC000151174600 327451587 /nfs/dbraw/zinc/45/15/87/327451587.db2.gz SRQUPGHMRCHOQT-MRXNPFEDSA-N 0 3 270.376 3.567 20 30 CHEDHN C=C[C@H](C)N[C@@H]1CCc2cc(Br)cc(C)c21 ZINC000381328083 327466938 /nfs/dbraw/zinc/46/69/38/327466938.db2.gz RWDMTRBMXDVEGX-GXFFZTMASA-N 0 3 280.209 3.909 20 30 CHEDHN C=C(C)COCCN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000358285118 328881626 /nfs/dbraw/zinc/88/16/26/328881626.db2.gz JNERWIDXNYHIQW-KRWDZBQOSA-N 0 3 289.419 3.699 20 30 CHEDHN CC(C)(C#N)CCCCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000377648566 329022944 /nfs/dbraw/zinc/02/29/44/329022944.db2.gz UZKOKWXREGJNGC-GJZGRUSLSA-N 0 3 278.440 3.596 20 30 CHEDHN C=CCOc1cccc(CN[C@@H]2CCc3cc(N)ccc32)c1 ZINC000582555972 329111125 /nfs/dbraw/zinc/11/11/25/329111125.db2.gz AKYPAMXSHLEAJN-LJQANCHMSA-N 0 3 294.398 3.611 20 30 CHEDHN C=CC1CCN(Cc2ccc(OC)c(COCC)c2)CC1 ZINC000179613281 329210339 /nfs/dbraw/zinc/21/03/39/329210339.db2.gz XBILSMGYXZPFQZ-UHFFFAOYSA-N 0 3 289.419 3.630 20 30 CHEDHN N#CCCCCNCc1ccc(Oc2ccccc2)o1 ZINC000180867346 329223632 /nfs/dbraw/zinc/22/36/32/329223632.db2.gz VVHCJCMHSKGXFG-UHFFFAOYSA-N 0 3 270.332 3.855 20 30 CHEDHN CC(C)C[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC000396894720 329318367 /nfs/dbraw/zinc/31/83/67/329318367.db2.gz YQPQKZOAQZXEJX-HNNXBMFYSA-N 0 3 260.356 3.708 20 30 CHEDHN N#CCC1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000530336761 329332096 /nfs/dbraw/zinc/33/20/96/329332096.db2.gz RWYQRCXVIOECHJ-UPHRSURJSA-N 0 3 274.795 3.979 20 30 CHEDHN CC1(C)CN(CCCCC#N)CC[C@@H]1C(F)(F)F ZINC000190210812 329393189 /nfs/dbraw/zinc/39/31/89/329393189.db2.gz UMFVKCNWIZSPIL-NSHDSACASA-N 0 3 262.319 3.591 20 30 CHEDHN CC(C)(NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000399078936 329448062 /nfs/dbraw/zinc/44/80/62/329448062.db2.gz OYOGLMVCUWWIFR-UHFFFAOYSA-N 0 3 264.372 3.778 20 30 CHEDHN C=C(C)[C@@H](NC[C@H](CC)OC)c1ccc(F)c(F)c1 ZINC000419283828 329717424 /nfs/dbraw/zinc/71/74/24/329717424.db2.gz ZPEYHUVRWDJAAJ-SWLSCSKDSA-N 0 3 269.335 3.597 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)CC1CCOCC1 ZINC000264921776 330062016 /nfs/dbraw/zinc/06/20/16/330062016.db2.gz SGGYTABYMYTJBM-UHFFFAOYSA-N 0 3 285.840 3.816 20 30 CHEDHN C=CCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000271668278 330081693 /nfs/dbraw/zinc/08/16/93/330081693.db2.gz MEKLBVKYWITJCK-LBPRGKRZSA-N 0 3 261.262 3.985 20 30 CHEDHN Cc1ccsc1[C@H](C)NCc1ccc(C#N)s1 ZINC000421896818 330104922 /nfs/dbraw/zinc/10/49/22/330104922.db2.gz ZTFAVKIZGMHAQB-JTQLQIEISA-N 0 3 262.403 3.841 20 30 CHEDHN C[C@H](c1ccc2c(c1)CCC2)N1CCC(C)(C#N)CC1 ZINC000445408496 330132617 /nfs/dbraw/zinc/13/26/17/330132617.db2.gz GWVCKHURJGEYKV-CQSZACIVSA-N 0 3 268.404 3.862 20 30 CHEDHN C[C@H](NCc1cccc2c1CCCN2)c1cccc(C#N)c1 ZINC000423411803 330197238 /nfs/dbraw/zinc/19/72/38/330197238.db2.gz GJEALKBEXIEOEX-AWEZNQCLSA-N 0 3 291.398 3.767 20 30 CHEDHN C=CCC[C@@H](NCc1ccc2c(c1)CNC2)c1ccco1 ZINC000423387448 330199816 /nfs/dbraw/zinc/19/98/16/330199816.db2.gz MUYLNCPKYIJVAE-QGZVFWFLSA-N 0 3 282.387 3.680 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000424120590 330249357 /nfs/dbraw/zinc/24/93/57/330249357.db2.gz HHHUVISEVJDCJE-ZBINZKHDSA-N 0 3 260.768 3.609 20 30 CHEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000424134609 330267846 /nfs/dbraw/zinc/26/78/46/330267846.db2.gz YJYQBQISNVVWAL-JVLSTEMRSA-N 0 3 264.319 3.698 20 30 CHEDHN CC[C@H](CCc1ccccc1)NCc1ccc(C#N)o1 ZINC000527764814 330281637 /nfs/dbraw/zinc/28/16/37/330281637.db2.gz YWGYGSRFDOORMQ-OAHLLOKOSA-N 0 3 268.360 3.652 20 30 CHEDHN C[C@H](CN(C)Cc1ccc(C#N)cn1)C1CCCCC1 ZINC000528775415 330292434 /nfs/dbraw/zinc/29/24/34/330292434.db2.gz WXVXMHAZUFGCKL-CQSZACIVSA-N 0 3 271.408 3.601 20 30 CHEDHN CC(C)CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424189351 330322212 /nfs/dbraw/zinc/32/22/12/330322212.db2.gz DICWLLWAEKELEK-DLBZAZTESA-N 0 3 286.419 3.893 20 30 CHEDHN Cc1ccc(-c2ncc(CN[C@@H]3CC[C@H](C#N)C3)s2)cc1 ZINC000424191761 330323777 /nfs/dbraw/zinc/32/37/77/330323777.db2.gz HYUAXVUSUVCNJR-DZGCQCFKSA-N 0 3 297.427 3.900 20 30 CHEDHN C=CCCN1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533065502 330325682 /nfs/dbraw/zinc/32/56/82/330325682.db2.gz WTAQAPWBRCPJIF-MRXNPFEDSA-N 0 3 269.392 3.676 20 30 CHEDHN CC(C)(CCC#N)CN[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424200714 330326576 /nfs/dbraw/zinc/32/65/76/330326576.db2.gz RDVCKLNKRISHAB-ZBFHGGJFSA-N 0 3 260.356 3.543 20 30 CHEDHN CC#CCN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000533070260 330326770 /nfs/dbraw/zinc/32/67/70/330326770.db2.gz PSNBTZAQYMCZDO-INIZCTEOSA-N 0 3 295.430 3.820 20 30 CHEDHN COCc1ccccc1/C=C(/C)CN[C@@H]1CC[C@H](C#N)C1 ZINC000424203822 330327065 /nfs/dbraw/zinc/32/70/65/330327065.db2.gz SAQHEIORYUNBDX-HTHFIHQDSA-N 0 3 284.403 3.518 20 30 CHEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2C2CCCC2)c1 ZINC000044352396 330329386 /nfs/dbraw/zinc/32/93/86/330329386.db2.gz NPNJTDZTRWJFNI-KRWDZBQOSA-N 0 3 272.367 3.852 20 30 CHEDHN C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1F ZINC000424285354 330334089 /nfs/dbraw/zinc/33/40/89/330334089.db2.gz DPVDGLDQDIDKHF-PJODQICGSA-N 0 3 272.367 3.784 20 30 CHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000424317279 330339634 /nfs/dbraw/zinc/33/96/34/330339634.db2.gz BRIUSKCMOHFDRX-NTZNESFSSA-N 0 3 298.308 3.928 20 30 CHEDHN Cc1cccc2c1[C@@H](C)C[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424318065 330339693 /nfs/dbraw/zinc/33/96/93/330339693.db2.gz CLGRIQUBAJERGV-AYDFFVQHSA-N 0 3 254.377 3.825 20 30 CHEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424318056 330339796 /nfs/dbraw/zinc/33/97/96/330339796.db2.gz CKSVZSHBXAASSM-UKPHBRMFSA-N 0 3 294.402 3.524 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCSc3c(F)cccc32)C1 ZINC000424318279 330339833 /nfs/dbraw/zinc/33/98/33/330339833.db2.gz CXALVOKXHITRNU-WDMOLILDSA-N 0 3 276.380 3.644 20 30 CHEDHN COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1SC ZINC000424319063 330339900 /nfs/dbraw/zinc/33/99/00/330339900.db2.gz DKEJWDHFDPPTEX-SGMGOOAPSA-N 0 3 290.432 3.760 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nccc2ccccc21 ZINC000424321156 330340117 /nfs/dbraw/zinc/34/01/17/330340117.db2.gz GUARZRAPYMGRPW-KCQAQPDRSA-N 0 3 265.360 3.578 20 30 CHEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC000424329135 330342057 /nfs/dbraw/zinc/34/20/57/330342057.db2.gz PDLSWOBKBGAREE-SDDRHHMPSA-N 0 3 278.783 3.691 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000533309346 330357037 /nfs/dbraw/zinc/35/70/37/330357037.db2.gz LENSEEYCOHWFCZ-SQWLQELKSA-N 0 3 272.367 3.756 20 30 CHEDHN C=CC[C@H](C)NCc1ccccc1OC(F)(F)F ZINC000116926512 330361556 /nfs/dbraw/zinc/36/15/56/330361556.db2.gz VUSSAMBEJRMKNB-JTQLQIEISA-N 0 3 259.271 3.639 20 30 CHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000119341115 330373131 /nfs/dbraw/zinc/37/31/31/330373131.db2.gz ZBEDAKKYDKOPBK-UWVGGRQHSA-N 0 3 254.171 3.674 20 30 CHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Br)cc1 ZINC000088249758 330375152 /nfs/dbraw/zinc/37/51/52/330375152.db2.gz MELIFJKADXODDP-NSHDSACASA-N 0 3 293.208 3.794 20 30 CHEDHN C=CCOc1ccc(CNCC(=C)C)cc1Cl ZINC000119616698 330377529 /nfs/dbraw/zinc/37/75/29/330377529.db2.gz IUQSKADLARQTIG-UHFFFAOYSA-N 0 3 251.757 3.571 20 30 CHEDHN N#Cc1cccc(CN2CCCC23CCCCC3)c1F ZINC000537031440 330387874 /nfs/dbraw/zinc/38/78/74/330387874.db2.gz PYYDGFXVPTWAIA-UHFFFAOYSA-N 0 3 272.367 3.996 20 30 CHEDHN C=CCC[C@H](O)CNC(c1ccccc1)c1ccccc1 ZINC000120929905 330393257 /nfs/dbraw/zinc/39/32/57/330393257.db2.gz GIASIZDYZRVRGQ-SFHVURJKSA-N 0 3 281.399 3.693 20 30 CHEDHN C=CCCOCCN[C@@H](CC)c1cc(F)ccc1F ZINC000090883612 330396591 /nfs/dbraw/zinc/39/65/91/330396591.db2.gz VKFIOMQOEGAYNH-HNNXBMFYSA-N 0 3 269.335 3.598 20 30 CHEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1Cl)C(C)C ZINC000537085634 330397581 /nfs/dbraw/zinc/39/75/81/330397581.db2.gz JTJWQGCEWMWGQG-XJKSGUPXSA-N 0 3 281.827 3.954 20 30 CHEDHN CCCC(O)(CCC)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000537404765 330434669 /nfs/dbraw/zinc/43/46/69/330434669.db2.gz HXSYZMGZOIVDLV-ZDUSSCGKSA-N 0 3 292.398 3.679 20 30 CHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(Cl)cc1F ZINC000435739225 330661524 /nfs/dbraw/zinc/66/15/24/330661524.db2.gz FPAVLTBKTWRPAW-IUODEOHRSA-N 0 3 283.774 3.550 20 30 CHEDHN C=C[C@H](C)N[C@H](C)c1cc(Br)ccc1F ZINC000157261678 330772244 /nfs/dbraw/zinc/77/22/44/330772244.db2.gz GQWVKFGSCLEOMN-DTWKUNHWSA-N 0 3 272.161 3.813 20 30 CHEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000442788389 330783575 /nfs/dbraw/zinc/78/35/75/330783575.db2.gz FDNXSVXFGOTXPG-GOEBONIOSA-N 0 3 286.419 3.954 20 30 CHEDHN C=C(C)COCCNCc1ccc(F)c(C(F)(F)F)c1 ZINC000160158854 330859922 /nfs/dbraw/zinc/85/99/22/330859922.db2.gz GQNGCAWHNJSRDB-UHFFFAOYSA-N 0 3 291.288 3.527 20 30 CHEDHN CC[C@@H](NCCOc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447546732 330869572 /nfs/dbraw/zinc/86/95/72/330869572.db2.gz YLARYHGJRYPFEB-GOSISDBHSA-N 0 3 298.361 3.817 20 30 CHEDHN CSCc1cc(F)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000447589357 330872082 /nfs/dbraw/zinc/87/20/82/330872082.db2.gz XRAAUQOOAMQVKG-LRDDRELGSA-N 0 3 292.423 3.861 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCCc3c(F)cccc32)cc1 ZINC000449352099 330917632 /nfs/dbraw/zinc/91/76/32/330917632.db2.gz SJTSMKULOOHRSM-GOSISDBHSA-N 0 3 280.346 3.865 20 30 CHEDHN N#C[C@H]1CC[C@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000449353141 330917896 /nfs/dbraw/zinc/91/78/96/330917896.db2.gz YLULOCITTDLVGP-KNHMANMVSA-N 0 3 276.330 3.624 20 30 CHEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000449402426 330922684 /nfs/dbraw/zinc/92/26/84/330922684.db2.gz REPPLXJWHBTFJM-MAUKXSAKSA-N 0 3 280.371 3.825 20 30 CHEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000450978880 331009779 /nfs/dbraw/zinc/00/97/79/331009779.db2.gz GOXNPXOQFNDFAZ-KZNAEPCWSA-N 0 3 280.415 3.948 20 30 CHEDHN CN(CCOCc1ccc(C#N)cc1)CC1=CCCCC1 ZINC000451034593 331012818 /nfs/dbraw/zinc/01/28/18/331012818.db2.gz DDCCZLWFYNYIOH-UHFFFAOYSA-N 0 3 284.403 3.507 20 30 CHEDHN C=CCCC[C@H](C)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451289776 331023251 /nfs/dbraw/zinc/02/32/51/331023251.db2.gz YKPYFGSXLMXDFP-RYQLBKOJSA-N 0 3 291.410 3.531 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1NC1c2ccccc2-c2ccccc21 ZINC000451604337 331036175 /nfs/dbraw/zinc/03/61/75/331036175.db2.gz GUWKVCPVZAKFRB-MSOLQXFVSA-N 0 3 277.367 3.690 20 30 CHEDHN C[C@@H]1CC[C@@H](NCC2(CC#N)CC2)c2sccc21 ZINC000453210005 331101771 /nfs/dbraw/zinc/10/17/71/331101771.db2.gz JBILPVWYHFVMSZ-DGCLKSJQSA-N 0 3 260.406 3.970 20 30 CHEDHN C[C@H](NCC(C)(C)c1ccccn1)c1ccc(C#N)cc1F ZINC000453283840 331110913 /nfs/dbraw/zinc/11/09/13/331110913.db2.gz GXLLYVCWFIPYDE-ZDUSSCGKSA-N 0 3 297.377 3.721 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cc(C)ccc1OC ZINC000453329421 331117630 /nfs/dbraw/zinc/11/76/30/331117630.db2.gz ACIDOOGXGZXKQU-ZACQAIPSSA-N 0 3 289.419 3.778 20 30 CHEDHN C=C(CC)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453349004 331120412 /nfs/dbraw/zinc/12/04/12/331120412.db2.gz HBSBDRJJWOLPLV-OAHLLOKOSA-N 0 3 260.337 3.528 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000453351694 331120789 /nfs/dbraw/zinc/12/07/89/331120789.db2.gz LYSGJDIDJXVJPW-IKGGRYGDSA-N 0 3 299.414 3.756 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](C)c1sc(C(C)C)nc1C ZINC000453360723 331122337 /nfs/dbraw/zinc/12/23/37/331122337.db2.gz PQBLIYAYVPRFQO-WCQYABFASA-N 0 3 282.453 3.553 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(Cl)s1 ZINC000453369960 331123870 /nfs/dbraw/zinc/12/38/70/331123870.db2.gz VDPFYMXKLLVIFM-MXWKQRLJSA-N 0 3 271.813 3.786 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000453375302 331124579 /nfs/dbraw/zinc/12/45/79/331124579.db2.gz WLDYAMQEAMBFJQ-DZGCQCFKSA-N 0 3 273.376 3.719 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnc2ccsc2c1 ZINC000453376234 331124925 /nfs/dbraw/zinc/12/49/25/331124925.db2.gz XSPVKDUBFZAXJM-LNSITVRQSA-N 0 3 288.416 3.681 20 30 CHEDHN CO[C@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000453376467 331124931 /nfs/dbraw/zinc/12/49/31/331124931.db2.gz IHOJBAMICIUHSM-UGSOOPFHSA-N 0 3 298.361 3.563 20 30 CHEDHN C=CCC[C@@H](CO)N[C@H](CC)c1cc(Cl)ccc1OC ZINC000453376399 331124948 /nfs/dbraw/zinc/12/49/48/331124948.db2.gz XBNJABSWDRUFPF-DZGCQCFKSA-N 0 3 297.826 3.716 20 30 CHEDHN CC[C@H](NCCOCC1CCCC1)c1ccc(C#N)cc1 ZINC000453378858 331125380 /nfs/dbraw/zinc/12/53/80/331125380.db2.gz AIENFIVPZXJSEP-SFHVURJKSA-N 0 3 286.419 3.806 20 30 CHEDHN C=CCC1(CN[C@H]2C[C@H](C)n3ccnc32)CCCC1 ZINC000453387894 331126925 /nfs/dbraw/zinc/12/69/25/331126925.db2.gz WESJGQPGRHXAKK-KBPBESRZSA-N 0 3 259.397 3.615 20 30 CHEDHN C=CCC1(CN[C@H](c2nccn2C)C2CC2)CCCC1 ZINC000453392167 331127522 /nfs/dbraw/zinc/12/75/22/331127522.db2.gz ZINUKBGGTSKWSF-HNNXBMFYSA-N 0 3 273.424 3.597 20 30 CHEDHN CN(CCCOc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000195577855 331178969 /nfs/dbraw/zinc/17/89/69/331178969.db2.gz IZUHUZYQPOKJEH-UHFFFAOYSA-N 0 3 298.361 3.598 20 30 CHEDHN CC(C)(CNC(=O)C(C#N)CCc1ccccc1)C1CCC1 ZINC000456114535 331184484 /nfs/dbraw/zinc/18/44/84/331184484.db2.gz ATPJNOCZIXCCEI-MRXNPFEDSA-N 0 3 298.430 3.701 20 30 CHEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000456858769 331207752 /nfs/dbraw/zinc/20/77/52/331207752.db2.gz DUXVANNTJCUGHM-UXIGCNINSA-N 0 3 290.794 3.642 20 30 CHEDHN C=CCCC1(C(=O)Nc2ccc(CN(C)C)c(C)c2)CC1 ZINC000458259525 331246454 /nfs/dbraw/zinc/24/64/54/331246454.db2.gz GORLVLQLBXQJTA-UHFFFAOYSA-N 0 3 286.419 3.742 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000164648806 331271973 /nfs/dbraw/zinc/27/19/73/331271973.db2.gz PCJUKOJCYCMXIN-CYBMUJFWSA-N 0 3 289.375 3.685 20 30 CHEDHN C=CCCc1ccccc1NC1CCN(C2CC2)CC1 ZINC000459539651 331286637 /nfs/dbraw/zinc/28/66/37/331286637.db2.gz WSZPKMXAFXBWSC-UHFFFAOYSA-N 0 3 270.420 3.844 20 30 CHEDHN C=CC[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000166146421 331306654 /nfs/dbraw/zinc/30/66/54/331306654.db2.gz CTIJKBUCCSEUID-YOEHRIQHSA-N 0 3 252.361 3.725 20 30 CHEDHN CC#CCCN(CCC)[C@@H](C)c1ccccc1OC ZINC000462323081 331319681 /nfs/dbraw/zinc/31/96/81/331319681.db2.gz RZIAAEGQSBWTLZ-HNNXBMFYSA-N 0 3 259.393 3.882 20 30 CHEDHN CC#CCCN1CC=C(c2ccc(OCC)cc2)CC1 ZINC000462360743 331320450 /nfs/dbraw/zinc/32/04/50/331320450.db2.gz RAEZWFCSLFRSAO-UHFFFAOYSA-N 0 3 269.388 3.588 20 30 CHEDHN C=CCC[C@@H](NC[C@](C)(OC)C1CC1)c1ccco1 ZINC000462815412 331329754 /nfs/dbraw/zinc/32/97/54/331329754.db2.gz CZALBZXBIPQABK-ZBFHGGJFSA-N 0 3 263.381 3.692 20 30 CHEDHN CCCOc1cc(C)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000463239315 331343602 /nfs/dbraw/zinc/34/36/02/331343602.db2.gz XSAFDTACWGCSIK-DOTOQJQBSA-N 0 3 286.419 3.956 20 30 CHEDHN CCC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000464838193 331370501 /nfs/dbraw/zinc/37/05/01/331370501.db2.gz NGLULAMHYNYJAW-KRWDZBQOSA-N 0 3 256.393 3.960 20 30 CHEDHN CCC[C@@]1(C)CCCN(Cc2cccc(C#N)c2)C1 ZINC000464843664 331370831 /nfs/dbraw/zinc/37/08/31/331370831.db2.gz XLXPSOPJUDAGRQ-KRWDZBQOSA-N 0 3 256.393 3.960 20 30 CHEDHN CCC1(CC)CCC(NCc2ccc(C#N)o2)CC1 ZINC000474002858 331562195 /nfs/dbraw/zinc/56/21/95/331562195.db2.gz XCJQEQSRDUFOSH-UHFFFAOYSA-N 0 3 260.381 3.990 20 30 CHEDHN C=CCCOCCN[C@H](c1cc(F)ccc1F)C(C)C ZINC000479393249 331726804 /nfs/dbraw/zinc/72/68/04/331726804.db2.gz PCXCZJXSIABBLE-INIZCTEOSA-N 0 3 283.362 3.844 20 30 CHEDHN CC#CCCN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511061463 332926094 /nfs/dbraw/zinc/92/60/94/332926094.db2.gz AYKHQERHEYKWAX-QGZVFWFLSA-N 0 3 277.358 3.962 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000481027396 331795000 /nfs/dbraw/zinc/79/50/00/331795000.db2.gz VDNUAYWGIOQSJK-ABAIWWIYSA-N 0 3 262.784 3.880 20 30 CHEDHN C=C(C)[C@H](NCCSCC)c1ccc(F)c(F)c1 ZINC000481591748 331809856 /nfs/dbraw/zinc/80/98/56/331809856.db2.gz IRYWNCYBHYRIGR-AWEZNQCLSA-N 0 3 271.376 3.925 20 30 CHEDHN C=CC[C@H](C)NCc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000482199774 331827049 /nfs/dbraw/zinc/82/70/49/331827049.db2.gz PVBWDMPJOQCVRI-ZDUSSCGKSA-N 0 3 299.370 3.787 20 30 CHEDHN Cc1cc(CN(C)Cc2ccc(C#N)c(C)c2)ccc1F ZINC000488969305 332035980 /nfs/dbraw/zinc/03/59/80/332035980.db2.gz AYOVQGMTSRFBNJ-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc2ccccc2n1 ZINC000489436535 332052242 /nfs/dbraw/zinc/05/22/42/332052242.db2.gz NGQLYWRQZHSMBQ-INIZCTEOSA-N 0 3 252.361 3.775 20 30 CHEDHN CC(C)C[C@@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000489570736 332059638 /nfs/dbraw/zinc/05/96/38/332059638.db2.gz XMCXFBQBZJOUQY-INIZCTEOSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccccc1OCC ZINC000491343929 332193866 /nfs/dbraw/zinc/19/38/66/332193866.db2.gz UGFUXRQPNCNXTI-UHFFFAOYSA-N 0 3 285.387 3.909 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1cc(C)ccc1OC ZINC000491396994 332204791 /nfs/dbraw/zinc/20/47/91/332204791.db2.gz MZBKCNOOBFTUEZ-UHFFFAOYSA-N 0 3 285.387 3.827 20 30 CHEDHN C=CCOCCN[C@H](COc1ccccc1)c1ccccc1 ZINC000575334500 335095360 /nfs/dbraw/zinc/09/53/60/335095360.db2.gz RPIYMUUUDOHYGR-LJQANCHMSA-N 0 3 297.398 3.599 20 30 CHEDHN CC1(C)CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000492937894 332419212 /nfs/dbraw/zinc/41/92/12/332419212.db2.gz SGBYGZAURPKMBB-CQSZACIVSA-N 0 3 294.345 3.828 20 30 CHEDHN Cc1cc(Br)cc2c1[C@@H](NCCCC#N)CC2 ZINC000494753660 332485258 /nfs/dbraw/zinc/48/52/58/332485258.db2.gz ZVBPTJXAVWBILZ-ZDUSSCGKSA-N 0 3 293.208 3.638 20 30 CHEDHN CC#CCCNCc1ccc(-c2ccccc2F)o1 ZINC000499211845 332582460 /nfs/dbraw/zinc/58/24/60/332582460.db2.gz IRQPENGTRXJNJS-UHFFFAOYSA-N 0 3 257.308 3.589 20 30 CHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000248827376 334318600 /nfs/dbraw/zinc/31/86/00/334318600.db2.gz GPTYOYFWBAMYGC-DIOULYMOSA-N 0 3 274.795 3.999 20 30 CHEDHN C[C@H](NCCCOc1ccccc1)c1ccc(C#N)cc1F ZINC000512620444 332976096 /nfs/dbraw/zinc/97/60/96/332976096.db2.gz QODUVQYXPPNGNS-AWEZNQCLSA-N 0 3 298.361 3.817 20 30 CHEDHN CC(C)CSCCN[C@H](C)c1ccc(C#N)cc1F ZINC000512666231 332979101 /nfs/dbraw/zinc/97/91/01/332979101.db2.gz JKUVWDQIJLMGBP-GFCCVEGCSA-N 0 3 280.412 3.737 20 30 CHEDHN N#Cc1csc(CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000513492252 333022750 /nfs/dbraw/zinc/02/27/50/333022750.db2.gz YXJQXSSSXXMYAY-CQSZACIVSA-N 0 3 286.375 3.748 20 30 CHEDHN C=CCC[C@H](NCCc1ccc(O)cc1)c1ccco1 ZINC000513672781 333031473 /nfs/dbraw/zinc/03/14/73/333031473.db2.gz MCHSHNADCOCYHR-INIZCTEOSA-N 0 3 271.360 3.825 20 30 CHEDHN C=C(C)CN(CC)C[C@H](OC)c1ccc(Cl)cc1 ZINC000513967340 333055977 /nfs/dbraw/zinc/05/59/77/333055977.db2.gz IGJBIDBPCAHUTL-HNNXBMFYSA-N 0 3 267.800 3.926 20 30 CHEDHN Cc1cccc(C)c1OC[C@H](C)NCc1ccc(C#N)cc1 ZINC000517549381 333102059 /nfs/dbraw/zinc/10/20/59/333102059.db2.gz MYNCHQHECYXVMX-INIZCTEOSA-N 0 3 294.398 3.732 20 30 CHEDHN Cc1cccc(C)c1OC[C@@H](C)NCc1ccc(C#N)cc1 ZINC000517549382 333102091 /nfs/dbraw/zinc/10/20/91/333102091.db2.gz MYNCHQHECYXVMX-MRXNPFEDSA-N 0 3 294.398 3.732 20 30 CHEDHN CCSc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000185463503 333141383 /nfs/dbraw/zinc/14/13/83/333141383.db2.gz MRYFCROHTMGZJE-UHFFFAOYSA-N 0 3 282.412 3.960 20 30 CHEDHN CCCN(CCc1cccs1)Cc1ccc(C#N)o1 ZINC000185586988 333144404 /nfs/dbraw/zinc/14/44/04/333144404.db2.gz DCUFINUEOSIERZ-UHFFFAOYSA-N 0 3 274.389 3.667 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCc1nc2cc(C)ccc2n1C ZINC000187575421 333172646 /nfs/dbraw/zinc/17/26/46/333172646.db2.gz HSSXILRHOYXXLL-KBPBESRZSA-N 0 3 271.408 3.572 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOc1ccccc1 ZINC000189341058 333190602 /nfs/dbraw/zinc/19/06/02/333190602.db2.gz WTNYLWARTRRALT-HNNXBMFYSA-N 0 3 280.371 3.630 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H]3CCCC[C@@H]32)c1F ZINC000223517600 333208840 /nfs/dbraw/zinc/20/88/40/333208840.db2.gz SGFIPONUHRUZBK-BBRMVZONSA-N 0 3 272.367 3.852 20 30 CHEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000522977110 333302671 /nfs/dbraw/zinc/30/26/71/333302671.db2.gz WWAAHDQVAIAIKY-NHYWBVRUSA-N 0 3 290.794 3.847 20 30 CHEDHN C=CC1CCN(CCOc2c(C)cccc2C)CC1 ZINC000523607500 333334097 /nfs/dbraw/zinc/33/40/97/333334097.db2.gz DUHRSFPMQRYKHA-UHFFFAOYSA-N 0 3 259.393 3.580 20 30 CHEDHN COc1cc(CN[C@H](C)c2cccc(F)c2)ccc1C#N ZINC000234950283 333363461 /nfs/dbraw/zinc/36/34/61/333363461.db2.gz BUPCPXLJUXBJPE-GFCCVEGCSA-N 0 3 284.334 3.557 20 30 CHEDHN C=C(C)CNCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000237135966 333377889 /nfs/dbraw/zinc/37/78/89/333377889.db2.gz ONADEQUUFFSBGA-UHFFFAOYSA-N 0 3 297.398 3.940 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000315615007 333382786 /nfs/dbraw/zinc/38/27/86/333382786.db2.gz VNJZTMOZPPERLV-QWHCGFSZSA-N 0 3 295.342 3.878 20 30 CHEDHN CC(C)Oc1ccccc1CN1CCC(CCC#N)CC1 ZINC000575985431 335138007 /nfs/dbraw/zinc/13/80/07/335138007.db2.gz LHCPVEYSZDVUDG-UHFFFAOYSA-N 0 3 286.419 3.990 20 30 CHEDHN C=C(C)COCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000125814425 333575280 /nfs/dbraw/zinc/57/52/80/333575280.db2.gz ZTTQLTDGDYBHGI-UHFFFAOYSA-N 0 3 289.350 3.768 20 30 CHEDHN N#CCCC1CCN(CCSc2ccccc2F)CC1 ZINC000564208808 333612744 /nfs/dbraw/zinc/61/27/44/333612744.db2.gz WGGOMNGSDCSDST-UHFFFAOYSA-N 0 3 292.423 3.934 20 30 CHEDHN CCCCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000539512163 333675715 /nfs/dbraw/zinc/67/57/15/333675715.db2.gz MXVAXNYUJOBRLH-LSDHHAIUSA-N 0 3 292.448 3.693 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000174415824 335154140 /nfs/dbraw/zinc/15/41/40/335154140.db2.gz NIKMJEUHXHAULX-CRAIPNDOSA-N 0 3 280.371 3.652 20 30 CHEDHN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1F ZINC000174431703 335154785 /nfs/dbraw/zinc/15/47/85/335154785.db2.gz HZIQKSCSURKDFD-ZDUSSCGKSA-N 0 3 268.335 3.857 20 30 CHEDHN CC(C)(NCc1ccc(CC#N)cc1)c1cccs1 ZINC000542572321 333832563 /nfs/dbraw/zinc/83/25/63/333832563.db2.gz GIAOPRRLQGEDDF-UHFFFAOYSA-N 0 3 270.401 3.839 20 30 CHEDHN COc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1F ZINC000544116945 333917123 /nfs/dbraw/zinc/91/71/23/333917123.db2.gz JXBBIBDHOAWVTI-ZDUSSCGKSA-N 0 3 298.361 3.751 20 30 CHEDHN C=CCCCCNCc1cc2ccccc2nc1OC ZINC000545315893 333977826 /nfs/dbraw/zinc/97/78/26/333977826.db2.gz HYYJXHLMWMGAJF-UHFFFAOYSA-N 0 3 270.376 3.689 20 30 CHEDHN CC[C@@H](CNCc1ccc(C#N)cc1)Oc1ccccc1C ZINC000236987047 334078888 /nfs/dbraw/zinc/07/88/88/334078888.db2.gz UHQSTVQGPAKNTD-SFHVURJKSA-N 0 3 294.398 3.814 20 30 CHEDHN C/C=C\COc1ccc(CC[C@H](C)NC[C@H](C)C#N)cc1 ZINC000547361819 334083341 /nfs/dbraw/zinc/08/33/41/334083341.db2.gz PERULHLLEUTNCV-MSNYOWOLSA-N 0 3 286.419 3.712 20 30 CHEDHN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000576220245 335172319 /nfs/dbraw/zinc/17/23/19/335172319.db2.gz IEMGOAOBFLMZAF-ISARSNTHSA-N 0 3 295.430 3.992 20 30 CHEDHN C=CCC[C@H](C)N[C@@H](C)c1cc(F)ccc1OC ZINC000135720484 334137123 /nfs/dbraw/zinc/13/71/23/334137123.db2.gz FQRMXFSWNVZBKG-RYUDHWBXSA-N 0 3 251.345 3.840 20 30 CHEDHN N#CC(C(=O)c1csc2ccccc12)c1ccccn1 ZINC000078732895 334139864 /nfs/dbraw/zinc/13/98/64/334139864.db2.gz XRGBAHBCUKLRSS-LBPRGKRZSA-N 0 3 278.336 3.786 20 30 CHEDHN C=CCOCCN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000549898955 334208249 /nfs/dbraw/zinc/20/82/49/334208249.db2.gz LOYINDAUEYOAPY-OAHLLOKOSA-N 0 3 265.372 3.705 20 30 CHEDHN N#Cc1cccc(C2(NCc3ccnc4ccccc34)CC2)c1 ZINC000551230373 334241698 /nfs/dbraw/zinc/24/16/98/334241698.db2.gz YKGAENUMDLBOEH-UHFFFAOYSA-N 0 3 299.377 3.885 20 30 CHEDHN CC1(C)CC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000551787616 334261041 /nfs/dbraw/zinc/26/10/41/334261041.db2.gz JQCGPUUVVCEYPI-AWEZNQCLSA-N 0 3 281.321 3.835 20 30 CHEDHN C[C@H](C#N)CN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000248598230 334307628 /nfs/dbraw/zinc/30/76/28/334307628.db2.gz IONXGGMULMBIBI-MUIFIZLQSA-N 0 3 256.393 3.708 20 30 CHEDHN CCOc1cccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248912930 334321901 /nfs/dbraw/zinc/32/19/01/334321901.db2.gz VQCNQDKODFTTJH-SQWLQELKSA-N 0 3 272.392 3.818 20 30 CHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000249035516 334325490 /nfs/dbraw/zinc/32/54/90/334325490.db2.gz SITAVWXCSIHBQX-NWANDNLSSA-N 0 3 288.439 3.680 20 30 CHEDHN C=C(C)[C@H](NC[C@H]1CC[C@H](C)O1)c1ccc(F)c(F)c1 ZINC000249064703 334326502 /nfs/dbraw/zinc/32/65/02/334326502.db2.gz JZNSEERMMGSJSE-GHJWDPDVSA-N 0 3 281.346 3.739 20 30 CHEDHN C=C(CC)CN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000552875314 334348942 /nfs/dbraw/zinc/34/89/42/334348942.db2.gz MTOUNIIOUXNRGD-NSHDSACASA-N 0 3 285.334 3.913 20 30 CHEDHN C=C(C)COCCN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000552923027 334350944 /nfs/dbraw/zinc/35/09/44/334350944.db2.gz FAXZDNNINGADAJ-INIZCTEOSA-N 0 3 296.414 3.992 20 30 CHEDHN C[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C[C@@H](C)C1 ZINC000252209527 334377098 /nfs/dbraw/zinc/37/70/98/334377098.db2.gz XUILVQOFPHTPSZ-JYAVWHMHSA-N 0 3 260.356 3.612 20 30 CHEDHN N#Cc1ccc(CNC2CC(c3ccc(F)cc3)C2)s1 ZINC000553808959 334399477 /nfs/dbraw/zinc/39/94/77/334399477.db2.gz BSSVLRACULRNGJ-UHFFFAOYSA-N 0 3 286.375 3.795 20 30 CHEDHN N#CCC[C@H](C#N)CNCC1(c2ccccc2)CCCCC1 ZINC000554487870 334432089 /nfs/dbraw/zinc/43/20/89/334432089.db2.gz XKIYOMTZNQVGCW-QGZVFWFLSA-N 0 3 295.430 3.922 20 30 CHEDHN C=CCCN1CCC(c2cccc(F)c2F)CC1 ZINC000555052291 334466745 /nfs/dbraw/zinc/46/67/45/334466745.db2.gz YTHDBFSQVKVKQF-UHFFFAOYSA-N 0 3 251.320 3.720 20 30 CHEDHN C[C@H](Nc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000565807271 334598594 /nfs/dbraw/zinc/59/85/94/334598594.db2.gz OEEUUVZEFUSWBP-UGSOOPFHSA-N 0 3 297.377 3.801 20 30 CHEDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CCC#N)CC1 ZINC000567791387 334761521 /nfs/dbraw/zinc/76/15/21/334761521.db2.gz PNUUIHGAGKLUEH-CYBMUJFWSA-N 0 3 287.363 3.672 20 30 CHEDHN N#CCc1ccc(CN2CCC(C(F)(F)F)CC2)cc1 ZINC000343560726 335210056 /nfs/dbraw/zinc/21/00/56/335210056.db2.gz VTPLHQAGAJBNBG-UHFFFAOYSA-N 0 3 282.309 3.527 20 30 CHEDHN C=CCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000576544096 335217407 /nfs/dbraw/zinc/21/74/07/335217407.db2.gz LHWVFVGEXXUZCY-UHFFFAOYSA-N 0 3 286.331 3.911 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000343842537 335221891 /nfs/dbraw/zinc/22/18/91/335221891.db2.gz SWWCRYWURZKXAN-CQSZACIVSA-N 0 3 280.371 3.612 20 30 CHEDHN CCN(Cc1ccc(C#N)c(C)c1)[C@H](C)c1cccnc1 ZINC000576743832 335242076 /nfs/dbraw/zinc/24/20/76/335242076.db2.gz HLMKVWRFAYSZAT-OAHLLOKOSA-N 0 3 279.387 3.845 20 30 CHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(Cl)c1)CC2 ZINC000577028488 335284539 /nfs/dbraw/zinc/28/45/39/335284539.db2.gz OMNPJTZOMCZRQX-KRWDZBQOSA-N 0 3 282.774 3.989 20 30 CHEDHN N#CC1(CN[C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000577146602 335308355 /nfs/dbraw/zinc/30/83/55/335308355.db2.gz HHOSHHLDAWSCQJ-ZBFHGGJFSA-N 0 3 288.822 3.945 20 30 CHEDHN CC(C)(CNCc1ccc(C#N)s1)c1ccccc1F ZINC000176959462 335345227 /nfs/dbraw/zinc/34/52/27/335345227.db2.gz BUDFSIPNKOJXAJ-UHFFFAOYSA-N 0 3 288.391 3.826 20 30 CHEDHN C[C@H](NCC1(C#N)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000577458178 335354334 /nfs/dbraw/zinc/35/43/34/335354334.db2.gz WBSQJELFTFVCSI-NEPJUHHUSA-N 0 3 262.784 3.725 20 30 CHEDHN C[C@H]1CCc2ccccc2[C@@H]1NCc1cccc(C#N)c1 ZINC000179394430 335491754 /nfs/dbraw/zinc/49/17/54/335491754.db2.gz PYEKEHVDBOMVNT-IFXJQAMLSA-N 0 3 276.383 3.971 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCCOc2cccc(Cl)c2Cl)C1 ZINC000578287240 335595243 /nfs/dbraw/zinc/59/52/43/335595243.db2.gz RVDKCQPQXIKSGJ-GHMZBOCLSA-N 0 3 299.201 3.654 20 30 CHEDHN C=CC[C@H](C)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000180946842 335630561 /nfs/dbraw/zinc/63/05/61/335630561.db2.gz ZXNCPHMAJNGFFR-QWRGUYRKSA-N 0 3 283.799 3.972 20 30 CHEDHN CC(C)[C@@H]1CCC[C@@H](NC[C@@H](C#N)CCC#N)CC1 ZINC000578642440 335658086 /nfs/dbraw/zinc/65/80/86/335658086.db2.gz HARXXCLWICQXSQ-BZUAXINKSA-N 0 3 261.413 3.624 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000361861098 335849488 /nfs/dbraw/zinc/84/94/88/335849488.db2.gz VETFJCCRIYYOQT-LLVKDONJSA-N 0 3 272.298 3.687 20 30 CHEDHN C=CCCCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000581052936 336001364 /nfs/dbraw/zinc/00/13/64/336001364.db2.gz SBYIDRVWDIPJIN-JKSUJKDBSA-N 0 3 291.460 3.843 20 30 CHEDHN N#Cc1cccc(CN2CCC3(C2)CCCCC3)c1F ZINC000383233772 336106371 /nfs/dbraw/zinc/10/63/71/336106371.db2.gz CPNGMYKFSBHEET-UHFFFAOYSA-N 0 3 272.367 3.854 20 30 CHEDHN CO[C@](C)(CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000384296854 336123319 /nfs/dbraw/zinc/12/33/19/336123319.db2.gz GVSBZHRAQDYJAZ-DNVCBOLYSA-N 0 3 294.398 3.771 20 30 CHEDHN C=CC(C)(C)CNCc1nc2ccccc2n1CCC ZINC000384845763 336132775 /nfs/dbraw/zinc/13/27/75/336132775.db2.gz KANKFYYQPOANQT-UHFFFAOYSA-N 0 3 271.408 3.748 20 30 CHEDHN COc1cc(CN2CCC3(C2)CCCCC3)ccc1C#N ZINC000385875112 336158525 /nfs/dbraw/zinc/15/85/25/336158525.db2.gz OGUIIHWPESWLCS-UHFFFAOYSA-N 0 3 284.403 3.723 20 30 CHEDHN CC[C@H](CC#N)N[C@H](C)CCSc1ccccc1 ZINC000582011676 336191898 /nfs/dbraw/zinc/19/18/98/336191898.db2.gz KCEFWVBXRXNWFQ-ZIAGYGMSSA-N 0 3 262.422 3.839 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C(F)F)CC1 ZINC000334662786 534047289 /nfs/dbraw/zinc/04/72/89/534047289.db2.gz DILRTAAURBUEHA-NSHDSACASA-N 0 3 264.319 3.596 20 30 CHEDHN C=CCC[C@H](C)N[C@H](C)c1ccc(Br)cn1 ZINC000279650540 518721675 /nfs/dbraw/zinc/72/16/75/518721675.db2.gz FADXBGPPEZRGQE-WDEREUQCSA-N 0 3 283.213 3.849 20 30 CHEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccnc1 ZINC000339294771 519718362 /nfs/dbraw/zinc/71/83/62/519718362.db2.gz YFONEYIRCSANSC-UHFFFAOYSA-N 0 3 279.387 3.611 20 30 CHEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000080932840 521298491 /nfs/dbraw/zinc/29/84/91/521298491.db2.gz PNRBREWOHGGOQS-CQSZACIVSA-N 0 3 280.371 3.847 20 30 CHEDHN COCC[C@H](c1ccccc1)N(C)Cc1cccc(C#N)c1 ZINC000339864229 521982031 /nfs/dbraw/zinc/98/20/31/521982031.db2.gz DCLQPKBFIJCBDM-LJQANCHMSA-N 0 3 294.398 3.768 20 30 CHEDHN CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(C)cc1[O-] ZINC000280227228 522652357 /nfs/dbraw/zinc/65/23/57/522652357.db2.gz VCQZZEIDQHFFCN-KRWDZBQOSA-N 0 3 280.371 3.813 20 30 CHEDHN CC[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000278321917 522876998 /nfs/dbraw/zinc/87/69/98/522876998.db2.gz VCTXXOWXAAWGHH-MRXNPFEDSA-N 0 3 294.354 3.528 20 30 CHEDHN CC[C@@H](N[C@H](C)c1cccnc1)c1ccc(C#N)cc1 ZINC000278256005 522938777 /nfs/dbraw/zinc/93/87/77/522938777.db2.gz NDILOBFCWAQVTH-CXAGYDPISA-N 0 3 265.360 3.755 20 30 CHEDHN Cc1ncc(CN[C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000336083239 534743392 /nfs/dbraw/zinc/74/33/92/534743392.db2.gz FPBREARRUDFPRY-QGZVFWFLSA-N 0 3 297.427 3.881 20 30 CHEDHN CCc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000276591983 524033250 /nfs/dbraw/zinc/03/32/50/524033250.db2.gz JTQZRCVOZAOSBW-LIRRHRJNSA-N 0 3 294.398 3.505 20 30 CHEDHN Cc1ccc(C)n1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000263696587 524223338 /nfs/dbraw/zinc/22/33/38/524223338.db2.gz KTIFTCQRLKIUPX-UHFFFAOYSA-N 0 3 293.414 3.814 20 30 CHEDHN C[C@@H](NC[C@@H]1COc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000290380427 525488991 /nfs/dbraw/zinc/48/89/91/525488991.db2.gz RSIMXSMWCKQGSO-IUODEOHRSA-N 0 3 296.345 3.524 20 30 CHEDHN C[C@@H](NC[C@H]1COc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000290380424 525505721 /nfs/dbraw/zinc/50/57/21/525505721.db2.gz RSIMXSMWCKQGSO-DOMZBBRYSA-N 0 3 296.345 3.524 20 30 CHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000078973141 525612474 /nfs/dbraw/zinc/61/24/74/525612474.db2.gz RWCSLLYRDNBCQS-OLZOCXBDSA-N 0 3 294.354 3.699 20 30 CHEDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000036991779 525747934 /nfs/dbraw/zinc/74/79/34/525747934.db2.gz XDIVXJDJJYLSKI-ZIAGYGMSSA-N 0 3 280.371 3.984 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC=C(c2cccnc2)C1 ZINC000289408635 526068605 /nfs/dbraw/zinc/06/86/05/526068605.db2.gz SUASEQNPVKQOKN-HNNXBMFYSA-N 0 3 289.382 3.804 20 30 CHEDHN C=C(C)CCN(C)[C@H](C)c1sc(CC)nc1C ZINC000352016820 526440487 /nfs/dbraw/zinc/44/04/87/526440487.db2.gz ZYQMYJROSUKMCC-GFCCVEGCSA-N 0 3 252.427 3.973 20 30 CHEDHN N#Cc1ccc(CN(Cc2ccc(O)cc2)CC2CC2)s1 ZINC000289482825 526609408 /nfs/dbraw/zinc/60/94/08/526609408.db2.gz QRMRAUFKZBYCHI-UHFFFAOYSA-N 0 3 298.411 3.738 20 30 CHEDHN N#Cc1ccc(CN(Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000299590897 526610331 /nfs/dbraw/zinc/61/03/31/526610331.db2.gz WGERCYRTXNHJLT-UHFFFAOYSA-N 0 3 292.382 3.676 20 30 CHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)s1 ZINC000292492652 526626239 /nfs/dbraw/zinc/62/62/39/526626239.db2.gz BSSVLRACULRNGJ-MQMHXKEQSA-N 0 3 286.375 3.795 20 30 CHEDHN N#Cc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000155485587 526709683 /nfs/dbraw/zinc/70/96/83/526709683.db2.gz BWRWHXNSXRPPAA-QGZVFWFLSA-N 0 3 278.355 3.562 20 30 CHEDHN C#CCCOc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000113320843 526744800 /nfs/dbraw/zinc/74/48/00/526744800.db2.gz ZCLCVTNPIQTOQW-SFHVURJKSA-N 0 3 295.382 3.849 20 30 CHEDHN C=CCOCCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000347964858 526749716 /nfs/dbraw/zinc/74/97/16/526749716.db2.gz LMRBEPVDEQPJBA-PBHICJAKSA-N 0 3 289.419 3.960 20 30 CHEDHN C=CCSCCNCc1cscc1C(F)(F)F ZINC000352839059 527002862 /nfs/dbraw/zinc/00/28/62/527002862.db2.gz RPDRBWXPFBDFBG-UHFFFAOYSA-N 0 3 281.368 3.776 20 30 CHEDHN C=CC[C@@H](C)NCc1c(F)cccc1Br ZINC000192573576 527032405 /nfs/dbraw/zinc/03/24/05/527032405.db2.gz WFEBPTDSQLBMJK-SECBINFHSA-N 0 3 272.161 3.642 20 30 CHEDHN C=CCC[C@H](NCCc1cnc(C2CC2)nc1)c1ccco1 ZINC000353611305 527484197 /nfs/dbraw/zinc/48/41/97/527484197.db2.gz BXXIDAYICQCCMS-INIZCTEOSA-N 0 3 297.402 3.787 20 30 CHEDHN C=CCC[C@H](NCc1cncn1CC)c1ccccc1 ZINC000417941563 527485278 /nfs/dbraw/zinc/48/52/78/527485278.db2.gz ARZLSFVPGXXEOW-KRWDZBQOSA-N 0 3 269.392 3.700 20 30 CHEDHN C=CCN(CC=C)CC[C@@H](C)OCc1ccccc1 ZINC000354889474 527642373 /nfs/dbraw/zinc/64/23/73/527642373.db2.gz IVVDZIXOSVQXHW-MRXNPFEDSA-N 0 3 259.393 3.656 20 30 CHEDHN CCN(CCC(C)(C)C#N)Cc1c[nH]c2ccccc12 ZINC000347170677 528406119 /nfs/dbraw/zinc/40/61/19/528406119.db2.gz PSFPPJTWJZOFCW-UHFFFAOYSA-N 0 3 269.392 3.930 20 30 CHEDHN CCS[C@H]1CCCCN(Cc2ccccc2C#N)C1 ZINC000353589504 529225309 /nfs/dbraw/zinc/22/53/09/529225309.db2.gz HDXYNMHRGQJHTK-INIZCTEOSA-N 0 3 274.433 3.666 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894663 946506503 /nfs/dbraw/zinc/50/65/03/946506503.db2.gz WCHVAMXXRYOOFA-KGLIPLIRSA-N 0 3 299.422 3.652 20 30 CHEDHN C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894663 946506511 /nfs/dbraw/zinc/50/65/11/946506511.db2.gz WCHVAMXXRYOOFA-KGLIPLIRSA-N 0 3 299.422 3.652 20 30 CHEDHN CC(C)(C#N)CCCCN1CCOC[C@H]1CC1CCC1 ZINC000339771622 1117973433 /nfs/dbraw/zinc/97/34/33/1117973433.db2.gz KADRNNIZGRPVCC-MRXNPFEDSA-N 0 3 278.440 3.597 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000661114975 1120718259 /nfs/dbraw/zinc/71/82/59/1120718259.db2.gz NSIUBXHHVHYQDE-GXTWGEPZSA-N 0 3 260.381 3.777 20 30 CHEDHN C=CC[C@H]1N([C@H](C)C(=O)OCCCC)CCCC1(C)C ZINC001193921129 1122729468 /nfs/dbraw/zinc/72/94/68/1122729468.db2.gz UPHIKGULFHDRBY-HUUCEWRRSA-N 0 3 281.440 3.785 20 30 CHEDHN C#CCCCCCCNCc1cc(F)cnc1Cl ZINC000877555942 1125045446 /nfs/dbraw/zinc/04/54/46/1125045446.db2.gz HJUWIJGSIDKHGC-UHFFFAOYSA-N 0 3 268.763 3.547 20 30 CHEDHN CCCCCCCC[C@@H](CCC)N1CCN(C(N)=O)CC1 ZINC001173310125 1132450271 /nfs/dbraw/zinc/45/02/71/1132450271.db2.gz QINAXGXZMKKFRX-MRXNPFEDSA-N 0 3 297.487 3.602 20 30 CHEDHN COc1c(Cl)cccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000897482335 1125529444 /nfs/dbraw/zinc/52/94/44/1125529444.db2.gz QEZTWPBJGPNBHI-WCQYABFASA-N 0 3 278.783 3.521 20 30 CHEDHN Cc1cccc(OC[C@@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000533448924 1125607704 /nfs/dbraw/zinc/60/77/04/1125607704.db2.gz WMFGNBYQCCOEKF-CQSZACIVSA-N 0 3 298.361 3.563 20 30 CHEDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(C#N)cc1 ZINC000295771409 1125625618 /nfs/dbraw/zinc/62/56/18/1125625618.db2.gz AGXOLZNSWYLPTQ-LRDDRELGSA-N 0 3 278.355 3.602 20 30 CHEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2ccncc2)C1 ZINC000248884363 1125676269 /nfs/dbraw/zinc/67/62/69/1125676269.db2.gz LPPVFFRTRUXSAG-ATZDWAIDSA-N 0 3 291.398 3.843 20 30 CHEDHN COc1cc(C)c([C@@H](C)N2CCC(C)(C#N)CC2)cc1C ZINC000614964048 1125701057 /nfs/dbraw/zinc/70/10/57/1125701057.db2.gz UCEMKBXJQKIQDO-OAHLLOKOSA-N 0 3 286.419 3.999 20 30 CHEDHN C=CCC1(O)CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000886761595 1125714303 /nfs/dbraw/zinc/71/43/03/1125714303.db2.gz HKSGLTZGGNATBI-ZDUSSCGKSA-N 0 3 279.811 3.804 20 30 CHEDHN CCS[C@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192020872 1125732455 /nfs/dbraw/zinc/73/24/55/1125732455.db2.gz QFWUNLNUNQZJQB-HNNXBMFYSA-N 0 3 292.423 3.805 20 30 CHEDHN C=C(C)CN(CC)Cc1cccc(Br)c1OC ZINC000481702026 1126707032 /nfs/dbraw/zinc/70/70/32/1126707032.db2.gz FTYMKALPWLPCPM-UHFFFAOYSA-N 0 3 298.224 3.856 20 30 CHEDHN CCCc1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000482153360 1126743260 /nfs/dbraw/zinc/74/32/60/1126743260.db2.gz BCNLBVDREYCTFN-UHFFFAOYSA-N 0 3 256.393 3.765 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC)cc2)cc1 ZINC000150996973 1126748768 /nfs/dbraw/zinc/74/87/68/1126748768.db2.gz VNQLJZXXLYUHHJ-HNNXBMFYSA-N 0 3 295.382 3.558 20 30 CHEDHN COc1ccc(CNC2(c3ccccc3)CCC2)cc1C#N ZINC000174325198 1126768208 /nfs/dbraw/zinc/76/82/08/1126768208.db2.gz HABAEICNNJKRIE-UHFFFAOYSA-N 0 3 292.382 3.736 20 30 CHEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000678741609 1130448370 /nfs/dbraw/zinc/44/83/70/1130448370.db2.gz DABQHISLSDPGIE-RYUDHWBXSA-N 0 3 267.319 3.741 20 30 CHEDHN CN(CCCC(C)(C)C#N)Cc1ccc(Br)o1 ZINC000174819792 1126773897 /nfs/dbraw/zinc/77/38/97/1126773897.db2.gz VLDDVYHKHJVSGM-UHFFFAOYSA-N 0 3 299.212 3.804 20 30 CHEDHN CN(CC#Cc1ccccc1)CCCc1ccccc1 ZINC000483517370 1126790536 /nfs/dbraw/zinc/79/05/36/1126790536.db2.gz SMVZNURSAXGRMQ-UHFFFAOYSA-N 0 3 263.384 3.603 20 30 CHEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)[C@H](C)C2 ZINC000181147711 1126853125 /nfs/dbraw/zinc/85/31/25/1126853125.db2.gz VDXWSZYSEABNQY-SJKOYZFVSA-N 0 3 282.412 3.951 20 30 CHEDHN CC(C)(CCC#N)CN1CCc2cc(F)ccc2C1 ZINC000181447414 1126856089 /nfs/dbraw/zinc/85/60/89/1126856089.db2.gz BXMMIBJFRMGTFD-UHFFFAOYSA-N 0 3 260.356 3.514 20 30 CHEDHN C=CC(C)(C)Cc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000904623444 1126861164 /nfs/dbraw/zinc/86/11/64/1126861164.db2.gz FOIFSGUBMBEMOR-UHFFFAOYSA-N 0 3 285.391 3.553 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)n1cc(CNC(C)(C)C)nn1 ZINC000905057036 1126889324 /nfs/dbraw/zinc/88/93/24/1126889324.db2.gz HOZJQHOYBFUYEU-KRWDZBQOSA-N 0 3 298.434 3.526 20 30 CHEDHN C=CCCN[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185957390 1126905153 /nfs/dbraw/zinc/90/51/53/1126905153.db2.gz CLVOWPSRJMPRCE-QMMMGPOBSA-N 0 3 264.316 3.779 20 30 CHEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1C(C)(C)C ZINC000911646695 1127085383 /nfs/dbraw/zinc/08/53/83/1127085383.db2.gz VSUIRGSSGXNYHE-AWEZNQCLSA-N 0 3 274.408 3.606 20 30 CHEDHN N#Cc1csc(CN(Cc2ccc(O)cc2)CC2CC2)c1 ZINC000349034428 1127137981 /nfs/dbraw/zinc/13/79/81/1127137981.db2.gz DASCAVSEVWMBCB-UHFFFAOYSA-N 0 3 298.411 3.738 20 30 CHEDHN C=C(Br)CNC1CC(c2cccc(F)c2)C1 ZINC000164020683 1127149155 /nfs/dbraw/zinc/14/91/55/1127149155.db2.gz NIPHLTQFMBMNEZ-UHFFFAOYSA-N 0 3 284.172 3.570 20 30 CHEDHN C=C(Cl)CN[C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000168836988 1131080754 /nfs/dbraw/zinc/08/07/54/1131080754.db2.gz VAKNEAQFRISTPH-KOLCDFICSA-N 0 3 251.757 3.591 20 30 CHEDHN COc1ccc2ccccc2c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349803960 1127161630 /nfs/dbraw/zinc/16/16/30/1127161630.db2.gz RTWOFBZIPBNBDT-UKRRQHHQSA-N 0 3 280.371 3.630 20 30 CHEDHN C=CCc1cc(C[N@H+](C)[C@H](C)C2(C)CC2)c([O-])c(OC)c1 ZINC000164473897 1127168294 /nfs/dbraw/zinc/16/82/94/1127168294.db2.gz OJDKXCRKCNRDCN-CYBMUJFWSA-N 0 3 289.419 3.750 20 30 CHEDHN C=CCc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)c([O-])c(OC)c1 ZINC000164473897 1127168297 /nfs/dbraw/zinc/16/82/97/1127168297.db2.gz OJDKXCRKCNRDCN-CYBMUJFWSA-N 0 3 289.419 3.750 20 30 CHEDHN CC(C)(C)ON=C1CCCC[C@@H]1N1CCCCC1 ZINC001116404782 1131142986 /nfs/dbraw/zinc/14/29/86/1131142986.db2.gz NPAHOIPQAHUKHC-AWEZNQCLSA-N 0 3 252.402 3.586 20 30 CHEDHN C=CCC[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccco1 ZINC000285699095 1127241082 /nfs/dbraw/zinc/24/10/82/1127241082.db2.gz OYUVWLYSKDFCQV-HOTGVXAUSA-N 0 3 289.350 3.749 20 30 CHEDHN C=C(C)CN(CCCCC#N)Cc1cnn(C(C)C)c1 ZINC000352904935 1127249752 /nfs/dbraw/zinc/24/97/52/1127249752.db2.gz VYQDJLZKUAWAEV-UHFFFAOYSA-N 0 3 274.412 3.536 20 30 CHEDHN C=C(C)CN(CCCCF)Cc1cnn(C(C)C)c1 ZINC000352920801 1127251102 /nfs/dbraw/zinc/25/11/02/1127251102.db2.gz AOAISODCCWZBGR-UHFFFAOYSA-N 0 3 267.392 3.592 20 30 CHEDHN CC(C)(C#N)CCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000590201717 1127251748 /nfs/dbraw/zinc/25/17/48/1127251748.db2.gz LTHJKZYZPUXDOX-HNNXBMFYSA-N 0 3 292.810 3.733 20 30 CHEDHN C=CCN(CCc1ccco1)Cc1ccccc1OC ZINC000352998499 1127257077 /nfs/dbraw/zinc/25/70/77/1127257077.db2.gz PNCBCMSZRCSAIP-UHFFFAOYSA-N 0 3 271.360 3.519 20 30 CHEDHN Cc1cccc(Cl)c1CN1CCC(CC#N)CC1 ZINC000590714957 1127268849 /nfs/dbraw/zinc/26/88/49/1127268849.db2.gz IPCQQLAMUNCNOW-UHFFFAOYSA-N 0 3 262.784 3.774 20 30 CHEDHN Cc1ccccc1CC1CN(Cc2cccc(C#N)c2)C1 ZINC000590967206 1127279566 /nfs/dbraw/zinc/27/95/66/1127279566.db2.gz LFJKSKBQQURQLF-UHFFFAOYSA-N 0 3 276.383 3.541 20 30 CHEDHN C#C[C@H](C)N[C@H](CC)c1ccc(Br)cc1 ZINC000166490850 1127284439 /nfs/dbraw/zinc/28/44/39/1127284439.db2.gz GSKOCFYMGUNRDO-GXFFZTMASA-N 0 3 266.182 3.512 20 30 CHEDHN C#CCCN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000760861856 1127312570 /nfs/dbraw/zinc/31/25/70/1127312570.db2.gz YBVTTZQMNLWPQR-UHFFFAOYSA-N 0 3 279.305 3.818 20 30 CHEDHN CC(C)CCN(Cc1ccncc1C#N)C1CCCC1 ZINC000592068126 1127334874 /nfs/dbraw/zinc/33/48/74/1127334874.db2.gz IASXZYIONOBRNK-UHFFFAOYSA-N 0 3 271.408 3.744 20 30 CHEDHN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3ccncc3C#N)C2)cc1 ZINC000592116304 1127336489 /nfs/dbraw/zinc/33/64/89/1127336489.db2.gz ILBLBNMCYYQNIR-CRAIPNDOSA-N 0 3 291.398 3.640 20 30 CHEDHN CN(Cc1ccncc1C#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000592125154 1127336840 /nfs/dbraw/zinc/33/68/40/1127336840.db2.gz RBXDKFDUYVRYFD-JKSUJKDBSA-N 0 3 271.408 3.600 20 30 CHEDHN CCC#C[C@@H](C)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943774 1127356702 /nfs/dbraw/zinc/35/67/02/1127356702.db2.gz AHMRJACAQPNWRM-CHWSQXEVSA-N 0 3 273.342 3.843 20 30 CHEDHN C#Cc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000289164773 1127375620 /nfs/dbraw/zinc/37/56/20/1127375620.db2.gz DWCWEZRODNXQEX-GOSISDBHSA-N 0 3 277.367 3.671 20 30 CHEDHN C#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000289270485 1127379012 /nfs/dbraw/zinc/37/90/12/1127379012.db2.gz NLQJZLFIFIIYTQ-WOJBJXKFSA-N 0 3 291.394 3.678 20 30 CHEDHN C#CCSCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000226326428 1127391731 /nfs/dbraw/zinc/39/17/31/1127391731.db2.gz GWGMVZSCGXTSMU-GOSISDBHSA-N 0 3 299.414 3.871 20 30 CHEDHN N#CC1(CN[C@@H]2CC[C@@H](c3ccccc3)C2)CCCC1 ZINC000593654350 1127393736 /nfs/dbraw/zinc/39/37/36/1127393736.db2.gz BDVQBYVSKAXJIF-IAGOWNOFSA-N 0 3 268.404 3.996 20 30 CHEDHN N#CC1(CNC2CC(c3ccc(F)cc3)C2)CCCC1 ZINC000593652557 1127393181 /nfs/dbraw/zinc/39/31/81/1127393181.db2.gz BXFQIVRDNHSOPB-UHFFFAOYSA-N 0 3 272.367 3.745 20 30 CHEDHN CC1(c2ccccc2)CC(NCC2(C#N)CCCC2)C1 ZINC000593654420 1127394064 /nfs/dbraw/zinc/39/40/64/1127394064.db2.gz CICZLAJTTJWXRR-UHFFFAOYSA-N 0 3 268.404 3.780 20 30 CHEDHN Cc1cc(Cl)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000357789134 1127394100 /nfs/dbraw/zinc/39/41/00/1127394100.db2.gz ADJISDDFOQWTHH-CQSZACIVSA-N 0 3 299.761 3.545 20 30 CHEDHN CC(C)[C@H]1N(Cc2ccc(C#N)s2)CC12CC=CC2 ZINC000592525581 1127396713 /nfs/dbraw/zinc/39/67/13/1127396713.db2.gz ADEWGDKBIRFMIY-OAHLLOKOSA-N 0 3 272.417 3.796 20 30 CHEDHN CC[C@@H](CC#N)NCCn1ccc2cc(Cl)ccc21 ZINC000594006647 1127407377 /nfs/dbraw/zinc/40/73/77/1127407377.db2.gz KAYDTMDARQHONK-AWEZNQCLSA-N 0 3 275.783 3.577 20 30 CHEDHN C=CC[C@@H](C)NCc1c(F)ccc(C2OCCO2)c1Cl ZINC000291160019 1127407747 /nfs/dbraw/zinc/40/77/47/1127407747.db2.gz LZYUZELVWRIPER-SNVBAGLBSA-N 0 3 299.773 3.579 20 30 CHEDHN COCc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594969501 1127437350 /nfs/dbraw/zinc/43/73/50/1127437350.db2.gz RFSPWDNMPGAQNK-UHFFFAOYSA-N 0 3 294.398 3.730 20 30 CHEDHN CCc1cccc2cc(CN[C@@H]3CC[C@H](C#N)C3)oc21 ZINC000594950428 1127439297 /nfs/dbraw/zinc/43/92/97/1127439297.db2.gz KZDVNTZXROLTER-SWLSCSKDSA-N 0 3 268.360 3.777 20 30 CHEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccccc2C#N)C12CCC2 ZINC000594990495 1127444528 /nfs/dbraw/zinc/44/45/28/1127444528.db2.gz ZDEPTEGAZWACJQ-SJORKVTESA-N 0 3 298.430 3.774 20 30 CHEDHN CC[C@@H](COCC1CC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000595056845 1127446844 /nfs/dbraw/zinc/44/68/44/1127446844.db2.gz RKLJZFMSDOBQHY-DOMZBBRYSA-N 0 3 290.382 3.553 20 30 CHEDHN C=CCCSCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000595058310 1127446911 /nfs/dbraw/zinc/44/69/11/1127446911.db2.gz HEDQFRZRILQWOV-LBPRGKRZSA-N 0 3 278.396 3.657 20 30 CHEDHN C=CCCSCCN[C@H](C)c1ccc(Cl)cn1 ZINC000595059864 1127447421 /nfs/dbraw/zinc/44/74/21/1127447421.db2.gz QNUZOGWWGNMAEU-LLVKDONJSA-N 0 3 270.829 3.695 20 30 CHEDHN COc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1C ZINC000595105983 1127453005 /nfs/dbraw/zinc/45/30/05/1127453005.db2.gz PVYXXRALYMWBGA-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN N#C[C@@H]1CCC[C@H](NCc2cc(F)ccc2OC(F)F)C1 ZINC000595094003 1127455216 /nfs/dbraw/zinc/45/52/16/1127455216.db2.gz RUDWJGCMAJJPSO-MFKMUULPSA-N 0 3 298.308 3.599 20 30 CHEDHN C[C@@H]1CC[C@]2(CCN(Cc3ccccc3C#N)C2)C1 ZINC000359290678 1127456540 /nfs/dbraw/zinc/45/65/40/1127456540.db2.gz LSDYETJIFUVHDI-PBHICJAKSA-N 0 3 254.377 3.570 20 30 CHEDHN CC(C)O[C@@H](CN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595622819 1127468375 /nfs/dbraw/zinc/46/83/75/1127468375.db2.gz DOSMCFAMIOCMTB-WMZOPIPTSA-N 0 3 286.419 3.778 20 30 CHEDHN N#CC[C@@H]1CCCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000595619492 1127468473 /nfs/dbraw/zinc/46/84/73/1127468473.db2.gz BZGCITHTBIXESM-GUYCJALGSA-N 0 3 272.367 3.829 20 30 CHEDHN N#CC[C@@H]1CCCN(CCCc2ccccc2Cl)C1 ZINC000595621671 1127468478 /nfs/dbraw/zinc/46/84/78/1127468478.db2.gz XLYFPSFYWFYEOY-AWEZNQCLSA-N 0 3 276.811 3.898 20 30 CHEDHN C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@H](CC#N)C1 ZINC000595613428 1127470464 /nfs/dbraw/zinc/47/04/64/1127470464.db2.gz CQAMJACIQONTEP-QWHCGFSZSA-N 0 3 294.345 3.975 20 30 CHEDHN N#CC[C@@H]1CCCN(CCOc2cccc3ccccc32)C1 ZINC000595613551 1127470628 /nfs/dbraw/zinc/47/06/28/1127470628.db2.gz FHUVEIWZONRIMH-INIZCTEOSA-N 0 3 294.398 3.844 20 30 CHEDHN CC(C)c1ccc2c(c1)CN([C@@H](C)CCC#N)CC2 ZINC000595658298 1127471823 /nfs/dbraw/zinc/47/18/23/1127471823.db2.gz RSHMWYMUBOSZCY-AWEZNQCLSA-N 0 3 256.393 3.860 20 30 CHEDHN C[C@H]1c2ccccc2C[C@H]1NCc1cccc(F)c1C#N ZINC000595708482 1127473538 /nfs/dbraw/zinc/47/35/38/1127473538.db2.gz ROXHXLQGGNPRDR-KPZWWZAWSA-N 0 3 280.346 3.515 20 30 CHEDHN CCC(CC)CCCN(C)Cc1ccc(C#N)cn1 ZINC000595830270 1127479236 /nfs/dbraw/zinc/47/92/36/1127479236.db2.gz JNEYHRJPVMHWQY-UHFFFAOYSA-N 0 3 259.397 3.601 20 30 CHEDHN CC1(C)C[C@@]1(NCc1ccc(C#N)cc1)c1ccccc1 ZINC000595911564 1127479716 /nfs/dbraw/zinc/47/97/16/1127479716.db2.gz YORXPSRWHOMKKT-LJQANCHMSA-N 0 3 276.383 3.973 20 30 CHEDHN CC1(C)CC[C@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000360128985 1127490352 /nfs/dbraw/zinc/49/03/52/1127490352.db2.gz BDEXRMFDWUVWAU-GOSISDBHSA-N 0 3 296.414 3.605 20 30 CHEDHN C[C@@H](C1CCC1)N(C)Cc1ccc(Cl)cc1C#N ZINC000360120793 1127490471 /nfs/dbraw/zinc/49/04/71/1127490471.db2.gz ALZRTSSKNQYVBS-NSHDSACASA-N 0 3 262.784 3.832 20 30 CHEDHN C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000596649609 1127515280 /nfs/dbraw/zinc/51/52/80/1127515280.db2.gz DBEHSISVXYOKKF-BBATYDOGSA-N 0 3 295.361 3.618 20 30 CHEDHN CCC(C)(C)C1CCC(N2CCN(CCC#N)CC2)CC1 ZINC000601314535 1127520935 /nfs/dbraw/zinc/52/09/35/1127520935.db2.gz IVCYXSFBMKJLFF-UHFFFAOYSA-N 0 3 291.483 3.513 20 30 CHEDHN C[C@H](c1ccncc1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597080484 1127527297 /nfs/dbraw/zinc/52/72/97/1127527297.db2.gz NVQRFJHROXOKTR-OAHLLOKOSA-N 0 3 291.398 3.830 20 30 CHEDHN CC[C@@H](Cc1ccc(Br)cc1)NC[C@@H](C)C#N ZINC000597082264 1127527321 /nfs/dbraw/zinc/52/73/21/1127527321.db2.gz IATLOUDKZPALIG-FZMZJTMJSA-N 0 3 295.224 3.519 20 30 CHEDHN C/C(=C/c1ccccc1)CN1CCC[C@@H](CC#N)C1 ZINC000597173345 1127531608 /nfs/dbraw/zinc/53/16/08/1127531608.db2.gz JFAJXSVRNNQQOP-KSVUCXBSSA-N 0 3 254.377 3.716 20 30 CHEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)cc2cccnc12 ZINC000597177459 1127532289 /nfs/dbraw/zinc/53/22/89/1127532289.db2.gz MMXCRJGJTGNFRG-OAHLLOKOSA-N 0 3 279.387 3.669 20 30 CHEDHN N#CC[C@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1 ZINC000597178050 1127533361 /nfs/dbraw/zinc/53/33/61/1127533361.db2.gz UYLCIQCOGDRVFW-OAHLLOKOSA-N 0 3 284.403 3.601 20 30 CHEDHN CC(C)C[C@H](CN1CC(CC#N)C1)c1ccccc1 ZINC000597204484 1127534628 /nfs/dbraw/zinc/53/46/28/1127534628.db2.gz XFIOPTJMRNAKHM-QGZVFWFLSA-N 0 3 256.393 3.662 20 30 CHEDHN Cc1ccc(C)c([C@@H](C)N(C)Cc2cc(C#N)n(C)c2)c1 ZINC000361509085 1127568107 /nfs/dbraw/zinc/56/81/07/1127568107.db2.gz STKAFKSOBGZRBX-OAHLLOKOSA-N 0 3 281.403 3.707 20 30 CHEDHN Cc1ccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1C ZINC000361547166 1127571120 /nfs/dbraw/zinc/57/11/20/1127571120.db2.gz FFVZFQPQTOXIKK-IBGZPJMESA-N 0 3 293.414 3.851 20 30 CHEDHN C[C@H](C1CC1)N(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602434284 1127578587 /nfs/dbraw/zinc/57/85/87/1127578587.db2.gz PDWUHFQDUIZXJG-OAHLLOKOSA-N 0 3 291.398 3.754 20 30 CHEDHN C[C@H]1CN(Cc2cccc(C#N)n2)CC[C@@H]1c1ccccc1 ZINC000602476328 1127580545 /nfs/dbraw/zinc/58/05/45/1127580545.db2.gz NAULTCXJUTXILA-KXBFYZLASA-N 0 3 291.398 3.579 20 30 CHEDHN C[C@@H](CCC#N)CNCc1c(F)cccc1Cl ZINC000602524585 1127590895 /nfs/dbraw/zinc/59/08/95/1127590895.db2.gz MTEMLBVHTBLGSX-JTQLQIEISA-N 0 3 254.736 3.509 20 30 CHEDHN C[C@H](CCC#N)CN1CC(Cc2ccccc2Cl)C1 ZINC000602666150 1127603579 /nfs/dbraw/zinc/60/35/79/1127603579.db2.gz LTCITDOUVIWMAQ-CYBMUJFWSA-N 0 3 276.811 3.754 20 30 CHEDHN N#Cc1cccc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)n1 ZINC000602677145 1127605572 /nfs/dbraw/zinc/60/55/72/1127605572.db2.gz UXINZRCBSSXSDG-NNUKFRKNSA-N 0 3 297.789 3.642 20 30 CHEDHN CC[C@@H]1c2ccsc2CCN1CC1(CC#N)CC1 ZINC000602762473 1127611478 /nfs/dbraw/zinc/61/14/78/1127611478.db2.gz JHBFPFJPGKCHTJ-CYBMUJFWSA-N 0 3 260.406 3.751 20 30 CHEDHN N#CCC1(CN2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000602758345 1127612916 /nfs/dbraw/zinc/61/29/16/1127612916.db2.gz GFHICANULNXEBB-HNNXBMFYSA-N 0 3 258.340 3.656 20 30 CHEDHN C[C@@H]1SCCN(CC2(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000602778565 1127613603 /nfs/dbraw/zinc/61/36/03/1127613603.db2.gz GYOLFRUVWYZLAQ-HOCLYGCPSA-N 0 3 286.444 3.859 20 30 CHEDHN N#CCC1(CN2CCCCC[C@@H]2c2ccco2)CC1 ZINC000602777327 1127613720 /nfs/dbraw/zinc/61/37/20/1127613720.db2.gz FVBVLRGMKJOEIC-CQSZACIVSA-N 0 3 258.365 3.891 20 30 CHEDHN Cc1cccc(NC2CCN(CC3(CC#N)CC3)CC2)c1 ZINC000602792889 1127614245 /nfs/dbraw/zinc/61/42/45/1127614245.db2.gz GPIYZEQSIHKYKK-UHFFFAOYSA-N 0 3 283.419 3.565 20 30 CHEDHN Cc1ncc([C@H](C)NCCC2(C#N)CCCCC2)s1 ZINC000602954393 1127622534 /nfs/dbraw/zinc/62/25/34/1127622534.db2.gz CSZOBYPVUHBVKZ-LBPRGKRZSA-N 0 3 277.437 3.966 20 30 CHEDHN CN(CC/C=C\c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602982779 1127624215 /nfs/dbraw/zinc/62/42/15/1127624215.db2.gz YAKMUALTQWVIJO-UOHAWKTFSA-N 0 3 254.377 3.714 20 30 CHEDHN C[C@H](NCCCC#N)c1ccc(F)cc1C(F)(F)F ZINC000599046210 1127652862 /nfs/dbraw/zinc/65/28/62/1127652862.db2.gz VVDYOUABYLXEST-VIFPVBQESA-N 0 3 274.261 3.799 20 30 CHEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000603633479 1127663499 /nfs/dbraw/zinc/66/34/99/1127663499.db2.gz OZHCDMYRNWYEOU-HNNXBMFYSA-N 0 3 292.382 3.974 20 30 CHEDHN C#CCOc1ccc(CN[C@H](CCC)c2cccnc2)cc1 ZINC000296628747 1127679258 /nfs/dbraw/zinc/67/92/58/1127679258.db2.gz XHDJDJZYTCQVJB-LJQANCHMSA-N 0 3 294.398 3.725 20 30 CHEDHN C=CCCc1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000297192066 1127691149 /nfs/dbraw/zinc/69/11/49/1127691149.db2.gz FLOZAYXRNGOSJJ-UHFFFAOYSA-N 0 3 297.402 3.568 20 30 CHEDHN N#Cc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000604564824 1127709941 /nfs/dbraw/zinc/70/99/41/1127709941.db2.gz PQLWSJKCLSSIMX-UHFFFAOYSA-N 0 3 280.346 3.866 20 30 CHEDHN C#C[C@@H](CC)NCc1ccc(Cl)c(Br)c1 ZINC000229892129 1127713551 /nfs/dbraw/zinc/71/35/51/1127713551.db2.gz DCHGPSNABLFYSA-JTQLQIEISA-N 0 3 286.600 3.604 20 30 CHEDHN C=CCN1CCC(NC(=O)CCCCCCCC)CC1 ZINC000171719901 1127725978 /nfs/dbraw/zinc/72/59/78/1127725978.db2.gz TYDDCCTWNSWQHF-UHFFFAOYSA-N 0 3 280.456 3.504 20 30 CHEDHN N#CC(C(=O)C[C@@H]1CCCc2ccccc21)c1ccccn1 ZINC000171776755 1127728284 /nfs/dbraw/zinc/72/82/84/1127728284.db2.gz QLXXSUQOCYJWAB-DOTOQJQBSA-N 0 3 290.366 3.768 20 30 CHEDHN C=CCCCN(C)Cc1cc(Cl)ccc1OC ZINC000605149664 1127730275 /nfs/dbraw/zinc/73/02/75/1127730275.db2.gz MVNQPEXIJRMQKO-UHFFFAOYSA-N 0 3 253.773 3.747 20 30 CHEDHN N#CCC1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000543808169 1127765622 /nfs/dbraw/zinc/76/56/22/1127765622.db2.gz ZGQDXECCQVBJIZ-MRXNPFEDSA-N 0 3 274.795 3.953 20 30 CHEDHN Cc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)s1 ZINC000230635903 1127769820 /nfs/dbraw/zinc/76/98/20/1127769820.db2.gz ICAYTBMNYBLFRC-NSHDSACASA-N 0 3 274.364 3.918 20 30 CHEDHN CC(C)(C#N)CCCCN1CC=C(C(F)(F)F)CC1 ZINC000409446042 1127769902 /nfs/dbraw/zinc/76/99/02/1127769902.db2.gz YMEIEMWARGSBHQ-UHFFFAOYSA-N 0 3 274.330 3.901 20 30 CHEDHN CC#CCN1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000607731627 1127820987 /nfs/dbraw/zinc/82/09/87/1127820987.db2.gz OHFBPQPLGKBYLA-UHFFFAOYSA-N 0 3 270.351 3.510 20 30 CHEDHN Fc1ccc(C#CCN2CCSC3(CCC3)CC2)cc1 ZINC000411873056 1127877176 /nfs/dbraw/zinc/87/71/76/1127877176.db2.gz WXKQLMXXMXQSGM-UHFFFAOYSA-N 0 3 289.419 3.539 20 30 CHEDHN COc1ccc(C2(N[C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000539624329 1127933245 /nfs/dbraw/zinc/93/32/45/1127933245.db2.gz MYTWFKCCQZTHLO-AWEZNQCLSA-N 0 3 292.382 3.907 20 30 CHEDHN C=C(CC)CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000540205350 1127969182 /nfs/dbraw/zinc/96/91/82/1127969182.db2.gz ZXSLKOIIXDHVRT-HNNXBMFYSA-N 0 3 275.367 3.687 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000468272100 1128001043 /nfs/dbraw/zinc/00/10/43/1128001043.db2.gz SPSIPJLRIZTTFI-UHFFFAOYSA-N 0 3 294.373 3.928 20 30 CHEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCC(C)(C)C#N ZINC000545187384 1128003399 /nfs/dbraw/zinc/00/33/99/1128003399.db2.gz NHLQRVQZCZYBOO-MRXNPFEDSA-N 0 3 285.435 3.527 20 30 CHEDHN CCc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000469029851 1128032132 /nfs/dbraw/zinc/03/21/32/1128032132.db2.gz RZDWHIJLGBAYPE-UHFFFAOYSA-N 0 3 264.372 3.753 20 30 CHEDHN Cc1cc(CN2CCC(CC#N)CC2)ccc1Cl ZINC000541921023 1128043011 /nfs/dbraw/zinc/04/30/11/1128043011.db2.gz UISGFEMPTVJZIY-UHFFFAOYSA-N 0 3 262.784 3.774 20 30 CHEDHN C=C(C)CN(CCOCC(F)(F)F)Cc1ccccc1 ZINC000470916594 1128081212 /nfs/dbraw/zinc/08/12/12/1128081212.db2.gz JZFGSCDDCIVXTA-UHFFFAOYSA-N 0 3 287.325 3.644 20 30 CHEDHN Cc1cc(CN2CC[C@H](C(F)(F)F)[C@H]2C)ccc1C#N ZINC000470948358 1128083152 /nfs/dbraw/zinc/08/31/52/1128083152.db2.gz SQWDPLVGCPPLNE-RISCZKNCSA-N 0 3 282.309 3.639 20 30 CHEDHN CCC#C[C@H](C)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943777 1128084395 /nfs/dbraw/zinc/08/43/95/1128084395.db2.gz AHMRJACAQPNWRM-STQMWFEESA-N 0 3 273.342 3.843 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(F)cc1F ZINC000924544938 1128103975 /nfs/dbraw/zinc/10/39/75/1128103975.db2.gz LJWYDYSKPXCZRH-MNOVXSKESA-N 0 3 266.335 3.944 20 30 CHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)c1 ZINC000924597947 1128107494 /nfs/dbraw/zinc/10/74/94/1128107494.db2.gz CKVZDAFNSCDTCG-QWHCGFSZSA-N 0 3 287.407 3.624 20 30 CHEDHN CCOCc1ccccc1CNCc1ccc(C#N)c(C)c1 ZINC000443980025 1128108184 /nfs/dbraw/zinc/10/81/84/1128108184.db2.gz LVDMQGJGHRMQNZ-UHFFFAOYSA-N 0 3 294.398 3.693 20 30 CHEDHN CC1(C)CCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000492897080 1128116472 /nfs/dbraw/zinc/11/64/72/1128116472.db2.gz WXNXTESRZNVSCS-CQSZACIVSA-N 0 3 262.784 3.880 20 30 CHEDHN C#CCCCN[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925161600 1128124219 /nfs/dbraw/zinc/12/42/19/1128124219.db2.gz KZKDPJXHYWYXAI-SECBINFHSA-N 0 3 290.716 3.818 20 30 CHEDHN CN(Cc1ccc(C#N)c(F)c1)Cc1cccc2[nH]ccc21 ZINC000494085984 1128156135 /nfs/dbraw/zinc/15/61/35/1128156135.db2.gz AHQHFFYWWXFXKW-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN CN(CC#Cc1ccc(F)cc1)Cc1cccc2[nH]ccc21 ZINC000494081668 1128156533 /nfs/dbraw/zinc/15/65/33/1128156533.db2.gz ZYUOJLKGLOHKHQ-UHFFFAOYSA-N 0 3 292.357 3.791 20 30 CHEDHN C=CCCCCCCN[C@H](C)c1cn(C(C)C)nn1 ZINC000926424441 1128170928 /nfs/dbraw/zinc/17/09/28/1128170928.db2.gz YRSKNBVTYKPBDO-CQSZACIVSA-N 0 3 264.417 3.646 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000926427412 1128171901 /nfs/dbraw/zinc/17/19/01/1128171901.db2.gz FEMSVVJKTMXIJP-WFASDCNBSA-N 0 3 294.826 3.681 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926493233 1128175403 /nfs/dbraw/zinc/17/54/03/1128175403.db2.gz PYLPBUPCBBSJRJ-RYUDHWBXSA-N 0 3 275.352 3.574 20 30 CHEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000926511403 1128177200 /nfs/dbraw/zinc/17/72/00/1128177200.db2.gz WNVLAYWXCQJVIP-UMVBOHGHSA-N 0 3 272.392 3.817 20 30 CHEDHN C=CCN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000494627203 1128184372 /nfs/dbraw/zinc/18/43/72/1128184372.db2.gz WSQKACZQWKDANT-UHFFFAOYSA-N 0 3 262.356 3.843 20 30 CHEDHN C=CCCSCCN[C@H]1CCc2c1nccc2Cl ZINC000926686035 1128187996 /nfs/dbraw/zinc/18/79/96/1128187996.db2.gz RBJPJRGVGHQXPD-ZDUSSCGKSA-N 0 3 282.840 3.621 20 30 CHEDHN Cc1ccccc1[C@@H]1CCCN1Cc1cncc(C#N)c1 ZINC000929294834 1128268351 /nfs/dbraw/zinc/26/83/51/1128268351.db2.gz FLYQSZJJFNIQPW-SFHVURJKSA-N 0 3 277.371 3.599 20 30 CHEDHN C[C@H](NCc1ccc(CF)cc1)c1ccc(C#N)cc1 ZINC000777725343 1128254900 /nfs/dbraw/zinc/25/49/00/1128254900.db2.gz RWVQOMWQKWVDGN-ZDUSSCGKSA-N 0 3 268.335 3.879 20 30 CHEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 ZINC000926893102 1128200657 /nfs/dbraw/zinc/20/06/57/1128200657.db2.gz PYLPBUPCBBSJRJ-NWDGAFQWSA-N 0 3 275.352 3.574 20 30 CHEDHN C=CCCCCC[C@H](C)NCc1nc2c(s1)COCC2 ZINC000927115923 1128218960 /nfs/dbraw/zinc/21/89/60/1128218960.db2.gz CKZKEMDGCKHVQZ-ZDUSSCGKSA-N 0 3 294.464 3.830 20 30 CHEDHN C[C@H](c1ccc2ccccc2c1)N(C[C@H](O)CC#N)C1CC1 ZINC000929528181 1128276935 /nfs/dbraw/zinc/27/69/35/1128276935.db2.gz KYDVYVIHZVNGGN-AUUYWEPGSA-N 0 3 294.398 3.640 20 30 CHEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]1c1ccncc1 ZINC000930111132 1128301441 /nfs/dbraw/zinc/30/14/41/1128301441.db2.gz VDKNDHVLANFVPQ-LJQANCHMSA-N 0 3 291.398 3.907 20 30 CHEDHN CCN(Cc1ccncc1)Cc1c(C)cc(C#N)cc1C ZINC000930152401 1128303259 /nfs/dbraw/zinc/30/32/59/1128303259.db2.gz IPBKIULHIOMLPA-UHFFFAOYSA-N 0 3 279.387 3.592 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000763096233 1128350456 /nfs/dbraw/zinc/35/04/56/1128350456.db2.gz IBYUQTQDDHEJJK-LPXFMOJISA-N 0 3 296.361 3.845 20 30 CHEDHN N#CC1(CCCCN2CCc3c(O)cccc3C2)CCC1 ZINC000931262532 1128355435 /nfs/dbraw/zinc/35/54/35/1128355435.db2.gz XAECABVRZUGVCT-UHFFFAOYSA-N 0 3 284.403 3.614 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1C ZINC000933485915 1128436447 /nfs/dbraw/zinc/43/64/47/1128436447.db2.gz OQDNZANEXKPLQU-CQSZACIVSA-N 0 3 280.371 3.726 20 30 CHEDHN Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)nc1 ZINC000933609910 1128438844 /nfs/dbraw/zinc/43/88/44/1128438844.db2.gz KDKYJIMXYVZWTD-UHFFFAOYSA-N 0 3 291.398 3.641 20 30 CHEDHN CN(CCCCC(C)(C)C#N)Cc1cc(C#N)cs1 ZINC000933771945 1128442884 /nfs/dbraw/zinc/44/28/84/1128442884.db2.gz KLFNGYFNNFZDBW-UHFFFAOYSA-N 0 3 275.421 3.772 20 30 CHEDHN N#Cc1cc(Cl)cc(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000934697805 1128467304 /nfs/dbraw/zinc/46/73/04/1128467304.db2.gz KXFASZZRVCCNNA-KRWDZBQOSA-N 0 3 297.789 3.848 20 30 CHEDHN C[C@@H]1CN(CCOc2cccc(C#N)c2)Cc2ccccc21 ZINC000917039411 1128468776 /nfs/dbraw/zinc/46/87/76/1128468776.db2.gz CDSIODOSQOHNPL-OAHLLOKOSA-N 0 3 292.382 3.556 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000127470432 1128478831 /nfs/dbraw/zinc/47/88/31/1128478831.db2.gz NJFPCFZGLJTWMN-SFHVURJKSA-N 0 3 282.387 3.917 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127470176 1128478469 /nfs/dbraw/zinc/47/84/69/1128478469.db2.gz NJFPCFZGLJTWMN-GOSISDBHSA-N 0 3 282.387 3.917 20 30 CHEDHN C#CCN1CCC(c2c[nH]c3c2cccc3CC)CC1 ZINC000917835544 1128522038 /nfs/dbraw/zinc/52/20/38/1128522038.db2.gz AZUIXFRDTZOVQV-UHFFFAOYSA-N 0 3 266.388 3.543 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](Oc2ccccc2)C1 ZINC000567791222 1128572303 /nfs/dbraw/zinc/57/23/03/1128572303.db2.gz KUKYVIHLDSMUHZ-BEFAXECRSA-N 0 3 292.382 3.773 20 30 CHEDHN CC[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](C#N)CCC#N ZINC000569213842 1128601430 /nfs/dbraw/zinc/60/14/30/1128601430.db2.gz GCSMEOMPDJKRTA-ZBFHGGJFSA-N 0 3 289.810 3.694 20 30 CHEDHN C=C(C)CN(CCOC1CCC1)Cc1ccccc1 ZINC000572020291 1128640496 /nfs/dbraw/zinc/64/04/96/1128640496.db2.gz CVEFSBJKCAMXAN-UHFFFAOYSA-N 0 3 259.393 3.634 20 30 CHEDHN C#CCCN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000920416059 1128680803 /nfs/dbraw/zinc/68/08/03/1128680803.db2.gz QSEIYLVBEUIOOF-HNNXBMFYSA-N 0 3 259.349 3.590 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\C2CCCC2)c([O-])c1 ZINC000920942410 1128695627 /nfs/dbraw/zinc/69/56/27/1128695627.db2.gz CDCKPFZNJISKPH-ATVHPVEESA-N 0 3 260.381 3.600 20 30 CHEDHN CC(C)[C@](C)(Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000601151089 1128701365 /nfs/dbraw/zinc/70/13/65/1128701365.db2.gz OMZOGOJQQGDFFX-KRWDZBQOSA-N 0 3 299.443 3.762 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3ncccc32)cc1Cl ZINC000601279832 1128708068 /nfs/dbraw/zinc/70/80/68/1128708068.db2.gz JVTNMYZLLGQIBK-KRWDZBQOSA-N 0 3 297.789 3.774 20 30 CHEDHN CC[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000609766815 1128724721 /nfs/dbraw/zinc/72/47/21/1128724721.db2.gz SZGPBPHSDJAPTI-OAHLLOKOSA-N 0 3 281.403 3.823 20 30 CHEDHN C=C(C)CN(CC)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000072553275 1117761177 /nfs/dbraw/zinc/76/11/77/1117761177.db2.gz JEDYLLUPDNGYJK-UHFFFAOYSA-N 0 3 297.398 3.680 20 30 CHEDHN C=CCN(CCOC)Cc1csc2ccccc12 ZINC000361636782 1117861954 /nfs/dbraw/zinc/86/19/54/1117861954.db2.gz ITMQASIWZHQTDG-UHFFFAOYSA-N 0 3 261.390 3.536 20 30 CHEDHN C#CCCCN1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001209266178 1118020918 /nfs/dbraw/zinc/02/09/18/1118020918.db2.gz RYUWCSZGWCCTSS-OAHLLOKOSA-N 0 3 291.822 3.905 20 30 CHEDHN C=CCCCCCN1CCN(c2cccc(OC)c2)CC1 ZINC001209423781 1118047063 /nfs/dbraw/zinc/04/70/63/1118047063.db2.gz ZXULDDBLOVUVII-UHFFFAOYSA-N 0 3 288.435 3.564 20 30 CHEDHN C#CCN[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000764598142 1118101451 /nfs/dbraw/zinc/10/14/51/1118101451.db2.gz CFKRWYYRQWFJBC-CQSZACIVSA-N 0 3 265.356 3.646 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(C)c(F)c2)cc1 ZINC000764739351 1118110519 /nfs/dbraw/zinc/11/05/19/1118110519.db2.gz UFKPKWHDRPVOGW-OAHLLOKOSA-N 0 3 297.373 3.997 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(C)c(F)c2)cc1 ZINC000764739348 1118110857 /nfs/dbraw/zinc/11/08/57/1118110857.db2.gz UFKPKWHDRPVOGW-HNNXBMFYSA-N 0 3 297.373 3.997 20 30 CHEDHN CC[C@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC000653877547 1118125431 /nfs/dbraw/zinc/12/54/31/1118125431.db2.gz OTDHDTYFGQHOQD-IRXDYDNUSA-N 0 3 291.822 3.629 20 30 CHEDHN C[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccc(C#N)cc1 ZINC000921516983 1118156064 /nfs/dbraw/zinc/15/60/64/1118156064.db2.gz WXZRGBXRZSINLQ-UONOGXRCSA-N 0 3 292.382 3.732 20 30 CHEDHN N#CCCCOc1cccc(CNCc2ccsc2)c1 ZINC000237820244 1128762397 /nfs/dbraw/zinc/76/23/97/1128762397.db2.gz JMKFMUUTYXGESS-UHFFFAOYSA-N 0 3 286.400 3.720 20 30 CHEDHN N#CCCCOc1cccc(CNCc2ccccc2)c1 ZINC000237820061 1128762419 /nfs/dbraw/zinc/76/24/19/1128762419.db2.gz UKRNXSQEWGPKFG-UHFFFAOYSA-N 0 3 280.371 3.659 20 30 CHEDHN C=C(CC)CNCc1cn(-c2ccc(C)cc2)nc1C ZINC000655792615 1118213586 /nfs/dbraw/zinc/21/35/86/1118213586.db2.gz MVBLCKDIQSNQHX-UHFFFAOYSA-N 0 3 269.392 3.545 20 30 CHEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1csc(C#N)c1 ZINC000921619884 1118224915 /nfs/dbraw/zinc/22/49/15/1118224915.db2.gz DXNICYLTMLIFSP-KRWDZBQOSA-N 0 3 298.411 3.796 20 30 CHEDHN CCn1c(C)cc2c1CCC[C@H]2NCc1csc(C#N)c1 ZINC000921640820 1118262917 /nfs/dbraw/zinc/26/29/17/1118262917.db2.gz NDCRUUFBQHCHAY-MRXNPFEDSA-N 0 3 299.443 3.917 20 30 CHEDHN CCCCCCC[C@@H](C)CNCc1nc(C)c[nH]1 ZINC001648889087 1118271765 /nfs/dbraw/zinc/27/17/65/1118271765.db2.gz GMABJFDAWORPCC-CYBMUJFWSA-N 0 3 251.418 3.804 20 30 CHEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)c(C)cc1O ZINC001140203671 1118295865 /nfs/dbraw/zinc/29/58/65/1118295865.db2.gz MSTGWNWUWPGVSF-UHFFFAOYSA-N 0 3 280.371 3.513 20 30 CHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCC[C@@H]1F ZINC000340525628 1118317192 /nfs/dbraw/zinc/31/71/92/1118317192.db2.gz WZXQARQQXKRSQJ-ULQDDVLXSA-N 0 3 272.367 3.806 20 30 CHEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2cccc(F)c2)cc1 ZINC000160461244 1118427017 /nfs/dbraw/zinc/42/70/17/1118427017.db2.gz GQHXRWIBTBBXHS-AWEZNQCLSA-N 0 3 298.361 3.749 20 30 CHEDHN Cc1nc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000334276347 1118547712 /nfs/dbraw/zinc/54/77/12/1118547712.db2.gz CQCBTYALIZIOKR-MRXNPFEDSA-N 0 3 297.427 3.799 20 30 CHEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000656457831 1118556251 /nfs/dbraw/zinc/55/62/51/1118556251.db2.gz RRACXTAQZJZHSN-RDJZCZTQSA-N 0 3 298.434 3.684 20 30 CHEDHN C=CC(C)(C)CN[C@@H](C)c1nc(Br)cs1 ZINC000834882682 1118607145 /nfs/dbraw/zinc/60/71/45/1118607145.db2.gz CTDIGRFNHGZMFC-QMMMGPOBSA-N 0 3 289.242 3.768 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1cc(Cl)cc2c1OCC2 ZINC000926155997 1118617383 /nfs/dbraw/zinc/61/73/83/1118617383.db2.gz NKJGYCLVSUZEOE-NSHDSACASA-N 0 3 292.810 3.693 20 30 CHEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(Cl)s1 ZINC000083638489 1118707636 /nfs/dbraw/zinc/70/76/36/1118707636.db2.gz AIVRJOAPGZJCKG-VIFPVBQESA-N 0 3 256.802 3.992 20 30 CHEDHN CN(CCOc1ccc(Cl)cc1)CCC(C)(C)C#N ZINC000157384312 1118735659 /nfs/dbraw/zinc/73/56/59/1118735659.db2.gz UAFIKZUPJFDOSE-UHFFFAOYSA-N 0 3 280.799 3.590 20 30 CHEDHN CN(CCSCc1ccccc1)Cc1cccc(C#N)c1 ZINC000430726144 1118765216 /nfs/dbraw/zinc/76/52/16/1118765216.db2.gz TZFMTIFBBJDPFA-UHFFFAOYSA-N 0 3 296.439 3.923 20 30 CHEDHN N#CCC1(CN[C@@H]2CCSc3ccccc32)CC1 ZINC000430757245 1118767835 /nfs/dbraw/zinc/76/78/35/1118767835.db2.gz VHQBFUKRHKBXLV-CYBMUJFWSA-N 0 3 258.390 3.507 20 30 CHEDHN COc1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)CCS2 ZINC000430763985 1118768748 /nfs/dbraw/zinc/76/87/48/1118768748.db2.gz QXEAZAVMDUVPCQ-AWEZNQCLSA-N 0 3 288.416 3.516 20 30 CHEDHN CC(C)(C)[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000610993048 1118918956 /nfs/dbraw/zinc/91/89/56/1118918956.db2.gz BLVBRPKDQKOHLV-KRWDZBQOSA-N 0 3 279.387 3.830 20 30 CHEDHN N#CCC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000180862633 1128817506 /nfs/dbraw/zinc/81/75/06/1128817506.db2.gz DQRCZYCRBDUDBJ-INIZCTEOSA-N 0 3 284.334 3.666 20 30 CHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cccnc2)cc1 ZINC000158506279 1119065547 /nfs/dbraw/zinc/06/55/47/1119065547.db2.gz OJLFZVDMAJXCME-GJZGRUSLSA-N 0 3 280.371 3.505 20 30 CHEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncc(COC)s1 ZINC000657531193 1119159046 /nfs/dbraw/zinc/15/90/46/1119159046.db2.gz XVSMIFNWBHVINY-GXTWGEPZSA-N 0 3 280.437 3.514 20 30 CHEDHN C=CCCC1(CNCc2nc(C)c(C)[nH]2)CCCC1 ZINC000657567143 1119189336 /nfs/dbraw/zinc/18/93/36/1119189336.db2.gz KLIMNJQUGAHVEC-UHFFFAOYSA-N 0 3 261.413 3.643 20 30 CHEDHN Cc1nc2c(s1)[C@@H](N(C)CCC(C)(C)C#N)CCC2 ZINC000119919487 1119224952 /nfs/dbraw/zinc/22/49/52/1119224952.db2.gz ZOERLHPGLFRHCG-ZDUSSCGKSA-N 0 3 277.437 3.701 20 30 CHEDHN C=CCOCCCNCc1csc(-c2ccsc2)n1 ZINC000657657797 1119228298 /nfs/dbraw/zinc/22/82/98/1119228298.db2.gz CXJHWYCNPAIAKG-UHFFFAOYSA-N 0 3 294.445 3.554 20 30 CHEDHN C=C[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000309567257 1119508555 /nfs/dbraw/zinc/50/85/55/1119508555.db2.gz MMNKKMXFTJDUJQ-VHSXEESVSA-N 0 3 284.197 3.688 20 30 CHEDHN C=CC[C@H]1CCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000628407081 1128856241 /nfs/dbraw/zinc/85/62/41/1128856241.db2.gz YMPSVJKJHBNUAJ-NSHDSACASA-N 0 3 276.380 3.833 20 30 CHEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cn(C(C)C)nn1 ZINC000926590658 1119614880 /nfs/dbraw/zinc/61/48/80/1119614880.db2.gz DSARWDRMWRTHPK-DOTOQJQBSA-N 0 3 298.434 3.697 20 30 CHEDHN C=C(C)[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000657980817 1119659869 /nfs/dbraw/zinc/65/98/69/1119659869.db2.gz DRJGCVOTUCGNLA-XJKSGUPXSA-N 0 3 293.357 3.883 20 30 CHEDHN C#CCN[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000179711324 1119757974 /nfs/dbraw/zinc/75/79/74/1119757974.db2.gz CYTAMGMHGMAYDM-OAHLLOKOSA-N 0 3 295.382 3.558 20 30 CHEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2CC2)ccc1F ZINC000179699367 1119758312 /nfs/dbraw/zinc/75/83/12/1119758312.db2.gz UKCRDXVANOGHCQ-SFHVURJKSA-N 0 3 280.346 3.938 20 30 CHEDHN C=CCC(C)(C)CNCc1occc1Br ZINC000310568422 1119759392 /nfs/dbraw/zinc/75/93/92/1119759392.db2.gz NAZASBSSWZWUAV-UHFFFAOYSA-N 0 3 272.186 3.734 20 30 CHEDHN N#CC(C(=O)CCCCc1ccccc1)c1ccccn1 ZINC000892482717 1119771905 /nfs/dbraw/zinc/77/19/05/1119771905.db2.gz HDNPDIQMJFRESP-MRXNPFEDSA-N 0 3 278.355 3.671 20 30 CHEDHN N#CC(C(=O)CC[C@H]1CCc2ccccc21)c1ccccn1 ZINC000892483024 1119771982 /nfs/dbraw/zinc/77/19/82/1119771982.db2.gz JFXVESIMGBAGQQ-NVXWUHKLSA-N 0 3 290.366 3.768 20 30 CHEDHN CCN(CC)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177687080 1119842566 /nfs/dbraw/zinc/84/25/66/1119842566.db2.gz HQLKYAIKRIRTFY-UHFFFAOYSA-N 0 3 299.443 3.756 20 30 CHEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(Cl)s1 ZINC000414160143 1119920340 /nfs/dbraw/zinc/92/03/40/1119920340.db2.gz CPVXJEGWUZGFIO-SECBINFHSA-N 0 3 256.802 3.992 20 30 CHEDHN Cc1ccc([C@H](NCC(C)(C)CC#N)C2CCC2)o1 ZINC000414161277 1119921147 /nfs/dbraw/zinc/92/11/47/1119921147.db2.gz FCEAYYJSJUVADV-OAHLLOKOSA-N 0 3 260.381 3.959 20 30 CHEDHN C[C@H](NCC(C)(C)CC#N)c1cnn(C2CCCC2)c1 ZINC000414169789 1119925436 /nfs/dbraw/zinc/92/54/36/1119925436.db2.gz SBSDSFGHCCIFSZ-ZDUSSCGKSA-N 0 3 274.412 3.589 20 30 CHEDHN C=CCC[C@H](O)CN1CCc2cc(-c3ccccc3)oc2C1 ZINC000472588351 1119987719 /nfs/dbraw/zinc/98/77/19/1119987719.db2.gz ITOZCDLNFBTXMU-KRWDZBQOSA-N 0 3 297.398 3.632 20 30 CHEDHN Cc1csc(C(C#N)C(=O)c2ccc(C3CC3)cc2)n1 ZINC000659010685 1119989412 /nfs/dbraw/zinc/98/94/12/1119989412.db2.gz WLLQNGCBCUGOIB-CQSZACIVSA-N 0 3 282.368 3.819 20 30 CHEDHN Cc1occc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000414374163 1120005086 /nfs/dbraw/zinc/00/50/86/1120005086.db2.gz VDAFHXSLYAEFQD-UHFFFAOYSA-N 0 3 268.360 3.870 20 30 CHEDHN Cc1ccc([C@H]2CCC[C@H]2NCC(C)(C)C#N)cc1 ZINC000613540367 1120019774 /nfs/dbraw/zinc/01/97/74/1120019774.db2.gz OIOREAJSYLFUGQ-HZPDHXFCSA-N 0 3 256.393 3.771 20 30 CHEDHN Cc1ccc([C@H]2CCC[C@@H]2NCC(C)(C)C#N)cc1 ZINC000613540365 1120020232 /nfs/dbraw/zinc/02/02/32/1120020232.db2.gz OIOREAJSYLFUGQ-CVEARBPZSA-N 0 3 256.393 3.771 20 30 CHEDHN C=CCOc1cccc(CN2CCCC(F)(F)CC2)c1 ZINC000628421831 1120041393 /nfs/dbraw/zinc/04/13/93/1120041393.db2.gz ACECVMQWCPHUHH-UHFFFAOYSA-N 0 3 281.346 3.873 20 30 CHEDHN C=CC[C@H]1N(Cc2nc(C)oc2C)CCCC1(C)C ZINC000660423502 1120054094 /nfs/dbraw/zinc/05/40/94/1120054094.db2.gz RRSLJDAPTDJSMZ-OAHLLOKOSA-N 0 3 262.397 3.858 20 30 CHEDHN COc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1C ZINC000273070682 1120057508 /nfs/dbraw/zinc/05/75/08/1120057508.db2.gz NDBMWOXNVGPCTA-AWEZNQCLSA-N 0 3 280.371 3.726 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccccc1OC(F)F ZINC000924592341 1120077375 /nfs/dbraw/zinc/07/73/75/1120077375.db2.gz OTGKZGCCFFJVLC-NSHDSACASA-N 0 3 282.334 3.706 20 30 CHEDHN C=C[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000309566908 1120127928 /nfs/dbraw/zinc/12/79/28/1120127928.db2.gz MMNKKMXFTJDUJQ-NXEZZACHSA-N 0 3 284.197 3.688 20 30 CHEDHN C=CC[C@H](C)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343842843 1120160678 /nfs/dbraw/zinc/16/06/78/1120160678.db2.gz RZJGQFGFIOXISV-JGVFFNPUSA-N 0 3 264.316 3.777 20 30 CHEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000361865212 1120192579 /nfs/dbraw/zinc/19/25/79/1120192579.db2.gz LLGVDRMRRMQHHW-QGZVFWFLSA-N 0 3 268.335 3.938 20 30 CHEDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccccc2C#N)C1 ZINC000076069627 1120275519 /nfs/dbraw/zinc/27/55/19/1120275519.db2.gz PWVWTDCGTSMSFI-CVEARBPZSA-N 0 3 274.433 3.664 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000618311015 1128904312 /nfs/dbraw/zinc/90/43/12/1128904312.db2.gz VWBSHFZFVZZCAL-ZDUSSCGKSA-N 0 3 282.309 3.641 20 30 CHEDHN C=CCC[C@@H](O)CN1CCC(=Cc2ccccc2F)CC1 ZINC000472955315 1120293129 /nfs/dbraw/zinc/29/31/29/1120293129.db2.gz QFYQULBWSYSHFV-QGZVFWFLSA-N 0 3 289.394 3.632 20 30 CHEDHN C#CCCCCN[C@H](CCC)c1ncccc1Cl ZINC000925529469 1120299820 /nfs/dbraw/zinc/29/98/20/1120299820.db2.gz YHPNBYIDQVPHQR-CQSZACIVSA-N 0 3 264.800 3.969 20 30 CHEDHN CCc1cc(CN2CCCC(F)(F)CC2)ccc1C#N ZINC001238767695 1131243582 /nfs/dbraw/zinc/24/35/82/1131243582.db2.gz YPBDOIZKVZFKOT-UHFFFAOYSA-N 0 3 278.346 3.742 20 30 CHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000011047905 1120440807 /nfs/dbraw/zinc/44/08/07/1120440807.db2.gz NGKRUGASDYOIRF-GOSISDBHSA-N 0 3 280.371 3.808 20 30 CHEDHN C[C@H]1CN(Cc2cccc(C#N)c2F)CC(C)(C)C1 ZINC000543182824 1120455416 /nfs/dbraw/zinc/45/54/16/1120455416.db2.gz ZSSFPGKSPSVBGT-GFCCVEGCSA-N 0 3 260.356 3.565 20 30 CHEDHN C=CCC1(NCc2csc(CC)n2)CCCC1 ZINC000657703083 1120512961 /nfs/dbraw/zinc/51/29/61/1120512961.db2.gz SDUGWJIXBMOBKW-UHFFFAOYSA-N 0 3 250.411 3.684 20 30 CHEDHN C=C(CC)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000543474263 1120530408 /nfs/dbraw/zinc/53/04/08/1120530408.db2.gz OVJVSSSWQVHLET-CYBMUJFWSA-N 0 3 287.382 3.937 20 30 CHEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000318655816 1120531414 /nfs/dbraw/zinc/53/14/14/1120531414.db2.gz IJZLGAHQJZSUEU-SFHVURJKSA-N 0 3 298.430 3.872 20 30 CHEDHN CN(Cc1coc2ccccc12)Cc1ccc(C#N)cc1 ZINC000131169158 1120538099 /nfs/dbraw/zinc/53/80/99/1120538099.db2.gz BVGFQPRFPJCVHT-UHFFFAOYSA-N 0 3 276.339 3.936 20 30 CHEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cnc(C2CC2)o1 ZINC000922603950 1120562199 /nfs/dbraw/zinc/56/21/99/1120562199.db2.gz PJJDZGZFHRHTFN-UHFFFAOYSA-N 0 3 295.386 3.535 20 30 CHEDHN C[C@H](C#N)Oc1ccc(CNC(C)(C)/C=C\Cl)cc1 ZINC000922649821 1120572905 /nfs/dbraw/zinc/57/29/05/1120572905.db2.gz YTOCTRDGZKOHIY-JLVNDZCYSA-N 0 3 278.783 3.598 20 30 CHEDHN COc1ccc([C@H]2CCN(Cc3ccccc3C#N)C2)cc1 ZINC000155279785 1120579366 /nfs/dbraw/zinc/57/93/66/1120579366.db2.gz KMNPMNAMIMTLEL-SFHVURJKSA-N 0 3 292.382 3.556 20 30 CHEDHN C[C@@H](c1ccco1)N(C)CCCOc1cccc(C#N)c1 ZINC000155797474 1120599834 /nfs/dbraw/zinc/59/98/34/1120599834.db2.gz QAOOAACNBHDRFW-AWEZNQCLSA-N 0 3 284.359 3.613 20 30 CHEDHN C[C@H]1C[C@]1(NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000500393360 1120605774 /nfs/dbraw/zinc/60/57/74/1120605774.db2.gz BCXUWCIVFQLGCF-YVEFUNNKSA-N 0 3 299.805 3.575 20 30 CHEDHN COc1ccccc1/C=C/CN(C)Cc1ccc(C#N)cc1 ZINC000131184477 1120650301 /nfs/dbraw/zinc/65/03/01/1120650301.db2.gz NRXXFVKAAVAZFZ-FNORWQNLSA-N 0 3 292.382 3.712 20 30 CHEDHN CCC[C@H](C)N(C)Cc1ccc(C#N)cc1Cl ZINC000162869204 1120694266 /nfs/dbraw/zinc/69/42/66/1120694266.db2.gz DTZLJWRTOUBPJX-NSHDSACASA-N 0 3 250.773 3.832 20 30 CHEDHN C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162907839 1120695889 /nfs/dbraw/zinc/69/58/89/1120695889.db2.gz YYXKXKJGYSAPOM-GFCCVEGCSA-N 0 3 262.784 3.834 20 30 CHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(Cl)c1 ZINC000618743118 1128935609 /nfs/dbraw/zinc/93/56/09/1128935609.db2.gz XEPJHRWZDVGDEO-KRWDZBQOSA-N 0 3 282.774 3.989 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618742724 1128935642 /nfs/dbraw/zinc/93/56/42/1128935642.db2.gz QIBFPYXYHFTJMN-GOSISDBHSA-N 0 3 280.346 3.783 20 30 CHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1noc2c1CCCC2 ZINC000661118071 1120721353 /nfs/dbraw/zinc/72/13/53/1120721353.db2.gz WCCYHNFGGKPMIB-ZFWWWQNUSA-N 0 3 274.408 3.778 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651734566 1120730150 /nfs/dbraw/zinc/73/01/50/1120730150.db2.gz NWKUIEKLDWHTPQ-MRXNPFEDSA-N 0 3 296.414 3.992 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651822015 1120755128 /nfs/dbraw/zinc/75/51/28/1120755128.db2.gz HBWZZOAFTKDVQR-ZMYBRWDISA-N 0 3 294.398 3.743 20 30 CHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccsc1 ZINC000618802993 1128939897 /nfs/dbraw/zinc/93/98/97/1128939897.db2.gz GKGLWZKKSAENCD-BZNIZROVSA-N 0 3 268.385 3.958 20 30 CHEDHN C=CCC[C@H](C)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000662049598 1120865203 /nfs/dbraw/zinc/86/52/03/1120865203.db2.gz AHZOZJTZQWMFDK-GXFFZTMASA-N 0 3 288.218 3.971 20 30 CHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000662081848 1120871364 /nfs/dbraw/zinc/87/13/64/1120871364.db2.gz SJQWQLPRJJQXGG-ZACQAIPSSA-N 0 3 298.430 3.813 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1C[C@H](C)C[C@@H](C)C1 ZINC001205052859 1121025489 /nfs/dbraw/zinc/02/54/89/1121025489.db2.gz NKBWIGGGECOEHG-ZIAGYGMSSA-N 0 3 291.822 3.830 20 30 CHEDHN COc1ccc(C#N)cc1CN(C)C(C)(C)c1ccccc1 ZINC000585754397 1121028755 /nfs/dbraw/zinc/02/87/55/1121028755.db2.gz LVCPPCRIZLIAOP-UHFFFAOYSA-N 0 3 294.398 3.934 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccsc1 ZINC000512050851 1121038762 /nfs/dbraw/zinc/03/87/62/1121038762.db2.gz DZJHQEIIEBQLLE-UHFFFAOYSA-N 0 3 257.402 3.979 20 30 CHEDHN C=CCCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000605151281 1121058659 /nfs/dbraw/zinc/05/86/59/1121058659.db2.gz LNBKNWFWCMDBMC-UHFFFAOYSA-N 0 3 275.236 3.769 20 30 CHEDHN N#Cc1ccc(CNCc2cccc(C3CC3)c2)cc1 ZINC000094519102 1121075496 /nfs/dbraw/zinc/07/54/96/1121075496.db2.gz XERAWOSMSFQRAI-UHFFFAOYSA-N 0 3 262.356 3.725 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000320155998 1121182900 /nfs/dbraw/zinc/18/29/00/1121182900.db2.gz ADJREQRYKWTCAY-QWRGUYRKSA-N 0 3 288.218 3.971 20 30 CHEDHN CN(Cc1ccc(F)cc1C#N)[C@H]1CCc2ccccc2C1 ZINC000512325155 1121261188 /nfs/dbraw/zinc/26/11/88/1121261188.db2.gz UEJFDDAVUFNJCU-IBGZPJMESA-N 0 3 294.373 3.687 20 30 CHEDHN CCC#C[C@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC001168757456 1121298963 /nfs/dbraw/zinc/29/89/63/1121298963.db2.gz FJOARUUVBOORGN-GUYCJALGSA-N 0 3 259.368 3.977 20 30 CHEDHN C=C[C@@H](C)N[C@@H](C)c1ccccc1OC(F)(F)F ZINC000675933419 1121389255 /nfs/dbraw/zinc/38/92/55/1121389255.db2.gz DNRWFCBQFOEVLE-ZJUUUORDSA-N 0 3 259.271 3.810 20 30 CHEDHN C=CCC[C@@H](NCc1ccccn1)c1ccccc1 ZINC000676422063 1121432411 /nfs/dbraw/zinc/43/24/11/1121432411.db2.gz RKCBYOKFNDOLDQ-QGZVFWFLSA-N 0 3 252.361 3.879 20 30 CHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(F)c(Cl)c1 ZINC000709988133 1121473437 /nfs/dbraw/zinc/47/34/37/1121473437.db2.gz BLOSPASJBLGPCN-JTQLQIEISA-N 0 3 268.763 3.897 20 30 CHEDHN Cc1ccc(OC2CCN([C@@H](C)CCC#N)CC2)cc1C ZINC000411172616 1121529954 /nfs/dbraw/zinc/52/99/54/1121529954.db2.gz MPDRWMYDOZINNO-INIZCTEOSA-N 0 3 286.419 3.839 20 30 CHEDHN C[C@H](C#N)CNC[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000543624571 1121531060 /nfs/dbraw/zinc/53/10/60/1121531060.db2.gz ULCHFIIRCYMDDU-LSDHHAIUSA-N 0 3 272.436 3.912 20 30 CHEDHN CC[C@@H](CCc1ccc(Br)cc1)NCCC#N ZINC000426005866 1121535132 /nfs/dbraw/zinc/53/51/32/1121535132.db2.gz UGIIKXILRMTMFS-AWEZNQCLSA-N 0 3 295.224 3.664 20 30 CHEDHN CC(C)C[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000466721175 1121567128 /nfs/dbraw/zinc/56/71/28/1121567128.db2.gz CXGDFUFBOOLTPI-OAHLLOKOSA-N 0 3 281.403 3.679 20 30 CHEDHN COc1cc(CN[C@@H](C)c2ccc(C)c(F)c2)ccc1C#N ZINC000389827951 1121616900 /nfs/dbraw/zinc/61/69/00/1121616900.db2.gz VWJWOVOONBBOKE-ZDUSSCGKSA-N 0 3 298.361 3.865 20 30 CHEDHN C#CCC1(NCc2ccc(C)nc2Cl)CCCCC1 ZINC001176431438 1121620266 /nfs/dbraw/zinc/62/02/66/1121620266.db2.gz DXKAGYSMOVFIGV-UHFFFAOYSA-N 0 3 276.811 3.859 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)CCO2 ZINC000433256506 1121629768 /nfs/dbraw/zinc/62/97/68/1121629768.db2.gz PRCUBEBAWCGLHU-CQSZACIVSA-N 0 3 292.382 3.686 20 30 CHEDHN C[C@@H](NCc1ccnc(C#N)c1)c1cccc2ccccc21 ZINC000611376666 1121641745 /nfs/dbraw/zinc/64/17/45/1121641745.db2.gz UAGOBUWCMYVKKI-CQSZACIVSA-N 0 3 287.366 3.957 20 30 CHEDHN CCSc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611389642 1121645128 /nfs/dbraw/zinc/64/51/28/1121645128.db2.gz NQJRJEZIIZEJCE-CYBMUJFWSA-N 0 3 297.427 3.916 20 30 CHEDHN C[C@H](NCc1cc2ccccc2[nH]1)c1cccc(C#N)c1 ZINC000611438330 1121647416 /nfs/dbraw/zinc/64/74/16/1121647416.db2.gz VWCFZOGFKRKBJP-ZDUSSCGKSA-N 0 3 275.355 3.890 20 30 CHEDHN C=CCC[C@@H]1CCCN1Cc1ccnc(Cl)c1 ZINC001176767316 1121694614 /nfs/dbraw/zinc/69/46/14/1121694614.db2.gz FPJBTVROCZQQOW-CYBMUJFWSA-N 0 3 250.773 3.666 20 30 CHEDHN Cc1cc(C#N)ccc1CN1Cc2ccccc2C[C@@H]1C ZINC000614400822 1121710185 /nfs/dbraw/zinc/71/01/85/1121710185.db2.gz HKACPEBFSLCBHB-HNNXBMFYSA-N 0 3 276.383 3.814 20 30 CHEDHN C=CCOc1ccc(CNCc2ccccc2NC)cc1 ZINC001178700485 1121808851 /nfs/dbraw/zinc/80/88/51/1121808851.db2.gz QECYKSYSKYPNBE-UHFFFAOYSA-N 0 3 282.387 3.583 20 30 CHEDHN C=CCN(CCc1ccccc1)Cc1ccc(Cl)nc1 ZINC000731752021 1121882984 /nfs/dbraw/zinc/88/29/84/1121882984.db2.gz MPXGRBKBNHSIIQ-UHFFFAOYSA-N 0 3 286.806 3.966 20 30 CHEDHN C=CCOCCN[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000679576438 1121905948 /nfs/dbraw/zinc/90/59/48/1121905948.db2.gz OBPWAVOWSKOSSR-ZDUSSCGKSA-N 0 3 286.202 3.773 20 30 CHEDHN CC(C)(C#N)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000345954570 1121932867 /nfs/dbraw/zinc/93/28/67/1121932867.db2.gz QKQGUZAFVCRXAB-UHFFFAOYSA-N 0 3 279.387 3.587 20 30 CHEDHN C#CCN(Cc1ccc(SC(F)F)cc1)CC1CC1 ZINC001180116554 1121955318 /nfs/dbraw/zinc/95/53/18/1121955318.db2.gz KAEKYPNXXYDQRH-UHFFFAOYSA-N 0 3 281.371 3.847 20 30 CHEDHN C=C(C)CN(CC)Cc1ccccc1OCC(F)F ZINC001180438280 1121987328 /nfs/dbraw/zinc/98/73/28/1121987328.db2.gz XIXICZJGQQMJFW-UHFFFAOYSA-N 0 3 269.335 3.729 20 30 CHEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H](CC)[C@@H]1C ZINC001181044607 1122030055 /nfs/dbraw/zinc/03/00/55/1122030055.db2.gz WJXCNJKPMCKPKX-KBPBESRZSA-N 0 3 291.822 3.972 20 30 CHEDHN C=CCN(CCOC)Cc1ccc(F)c2ccccc12 ZINC001181457772 1122056132 /nfs/dbraw/zinc/05/61/32/1122056132.db2.gz RPOFQALHNXGMMM-UHFFFAOYSA-N 0 3 273.351 3.613 20 30 CHEDHN C=CCC1([NH2+]Cc2ccc([O-])c(F)c2)CCCCC1 ZINC001181785255 1122077288 /nfs/dbraw/zinc/07/72/88/1122077288.db2.gz AUSKLMWCYOTQEM-UHFFFAOYSA-N 0 3 263.356 3.900 20 30 CHEDHN C#C[C@@H](NC1C[C@H]2CC[C@@H](C1)S2)c1ccc(F)cc1 ZINC001182020961 1122107591 /nfs/dbraw/zinc/10/75/91/1122107591.db2.gz RPFUTNRKZQGEGH-WTXIUTQJSA-N 0 3 275.392 3.516 20 30 CHEDHN CCO[C@H](CNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421382969 1122108504 /nfs/dbraw/zinc/10/85/04/1122108504.db2.gz JGVJVLWEJZWCEG-GOSISDBHSA-N 0 3 298.361 3.565 20 30 CHEDHN CCc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000035018857 1122147857 /nfs/dbraw/zinc/14/78/57/1122147857.db2.gz FVZXJKVWDBNPCA-CQSZACIVSA-N 0 3 264.372 3.971 20 30 CHEDHN C#CCN[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000774371191 1122158077 /nfs/dbraw/zinc/15/80/77/1122158077.db2.gz QTMBTJFRUGBADO-ZDUSSCGKSA-N 0 3 255.283 3.625 20 30 CHEDHN C=CC[C@H]1CCN(Cc2c(F)cccc2OCC)C1 ZINC001183065916 1122205712 /nfs/dbraw/zinc/20/57/12/1122205712.db2.gz ROBXINHROQMAQC-ZDUSSCGKSA-N 0 3 263.356 3.622 20 30 CHEDHN N#CCC1(CNCc2ccc(Cl)c(Cl)c2)CC1 ZINC000430059107 1122239969 /nfs/dbraw/zinc/23/99/69/1122239969.db2.gz OIEPMTBRMDLCDK-UHFFFAOYSA-N 0 3 269.175 3.777 20 30 CHEDHN C=CCOc1ccccc1CN1CCC(C)(OCC)CC1 ZINC000430098550 1122403457 /nfs/dbraw/zinc/40/34/57/1122403457.db2.gz SCTUOUSEZZFQKO-UHFFFAOYSA-N 0 3 289.419 3.642 20 30 CHEDHN C=CCCCCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000515366989 1122495043 /nfs/dbraw/zinc/49/50/43/1122495043.db2.gz OJTRGQKIXUTNQT-UHFFFAOYSA-N 0 3 288.435 3.920 20 30 CHEDHN CC(C)CC1(C)CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000515557661 1122511218 /nfs/dbraw/zinc/51/12/18/1122511218.db2.gz YVCMCCMXPQGLSA-UHFFFAOYSA-N 0 3 273.424 3.545 20 30 CHEDHN Cc1cccc(CN(Cc2cc(C#N)ccn2)CC(C)C)c1 ZINC001190561036 1122542885 /nfs/dbraw/zinc/54/28/85/1122542885.db2.gz PVMMUGRRMMHAJM-UHFFFAOYSA-N 0 3 293.414 3.920 20 30 CHEDHN C#CC[C@@H](NCc1ccccc1N(C)C)c1ccccc1 ZINC000775399438 1122545628 /nfs/dbraw/zinc/54/56/28/1122545628.db2.gz RIPTVSUKAXEAPQ-GOSISDBHSA-N 0 3 278.399 3.607 20 30 CHEDHN CCS[C@H]1CC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000437579542 1122642627 /nfs/dbraw/zinc/64/26/27/1122642627.db2.gz PUGPBYHCBJKLTQ-SJORKVTESA-N 0 3 291.435 3.783 20 30 CHEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC001192859229 1122660949 /nfs/dbraw/zinc/66/09/49/1122660949.db2.gz QFCHBJVBCHFKBY-NWDGAFQWSA-N 0 3 280.209 3.902 20 30 CHEDHN Cc1ccc([C@@H](O)CN[C@H](CCC#N)c2ccccc2)cc1 ZINC000775553844 1122662798 /nfs/dbraw/zinc/66/27/98/1122662798.db2.gz RCIMKMILXRKZLG-MOPGFXCFSA-N 0 3 294.398 3.663 20 30 CHEDHN Clc1cccc(C#CCN2CCC3(CCC3)C2)c1 ZINC000438534153 1122709024 /nfs/dbraw/zinc/70/90/24/1122709024.db2.gz JSQYDYWUUIGOPW-UHFFFAOYSA-N 0 3 259.780 3.568 20 30 CHEDHN C#CC[C@H](NCc1cccc2c1NCCC2)c1ccccc1 ZINC000894362051 1122718400 /nfs/dbraw/zinc/71/84/00/1122718400.db2.gz QJANCCONGOBAFJ-IBGZPJMESA-N 0 3 290.410 3.899 20 30 CHEDHN C=CCN(C/C=C\c1cc(C)c(C)cc1C)CCOC ZINC001205661011 1122766200 /nfs/dbraw/zinc/76/62/00/1122766200.db2.gz REZXTIDCAMKLNW-FPLPWBNLSA-N 0 3 273.420 3.759 20 30 CHEDHN C=C(C)C[N@@H+](CC)Cc1cc(Cl)cc(C)c1[O-] ZINC000775639520 1122847800 /nfs/dbraw/zinc/84/78/00/1122847800.db2.gz UTZWCONQUDEQCS-UHFFFAOYSA-N 0 3 253.773 3.752 20 30 CHEDHN C=C(C)C[N@H+](CC)Cc1cc(Cl)cc(C)c1[O-] ZINC000775639520 1122847803 /nfs/dbraw/zinc/84/78/03/1122847803.db2.gz UTZWCONQUDEQCS-UHFFFAOYSA-N 0 3 253.773 3.752 20 30 CHEDHN C=C(CNCc1cc(OC)ccc1OC)c1ccccc1 ZINC000620756665 1129083922 /nfs/dbraw/zinc/08/39/22/1129083922.db2.gz LBCWIFDULCUSQL-UHFFFAOYSA-N 0 3 283.371 3.507 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2cc[nH]c21 ZINC000507235192 1122941769 /nfs/dbraw/zinc/94/17/69/1122941769.db2.gz TXIRMYVBWLWUMI-UHFFFAOYSA-N 0 3 275.355 3.672 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(C(F)F)c(F)c1 ZINC000894854872 1122983030 /nfs/dbraw/zinc/98/30/30/1122983030.db2.gz NAQIUYXRHZCXRB-UHFFFAOYSA-N 0 3 270.298 3.793 20 30 CHEDHN C[C@H](N(C)CC#Cc1ccccc1Cl)C1(C)CC1 ZINC000441172053 1123063314 /nfs/dbraw/zinc/06/33/14/1123063314.db2.gz MVSDDFSROLSCPK-ZDUSSCGKSA-N 0 3 261.796 3.812 20 30 CHEDHN CCN(C)c1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000776159212 1123090829 /nfs/dbraw/zinc/09/08/29/1123090829.db2.gz VZCTYMPAEKTQMY-OAHLLOKOSA-N 0 3 293.414 3.865 20 30 CHEDHN C=CCC[C@H](O)CN[C@H](C)c1cccc(Cl)c1Cl ZINC000183763904 1129098813 /nfs/dbraw/zinc/09/88/13/1129098813.db2.gz VZWPIAWIYQCAML-MNOVXSKESA-N 0 3 288.218 3.971 20 30 CHEDHN N#Cc1c(CN2CCC[C@H]3CCC[C@@H]32)cn2ccccc12 ZINC000441432718 1123116471 /nfs/dbraw/zinc/11/64/71/1123116471.db2.gz FGWCDDHYOIOFND-PBHICJAKSA-N 0 3 279.387 3.575 20 30 CHEDHN CCCCCCCCN1CC2(C1)C[C@H](F)CS2 ZINC001201840125 1123155297 /nfs/dbraw/zinc/15/52/97/1123155297.db2.gz MYRZWIRDGIFESE-ZDUSSCGKSA-N 0 3 259.434 3.876 20 30 CHEDHN C[C@H](NCc1cncc2ccccc21)c1cccc(C#N)c1 ZINC000776217944 1123155898 /nfs/dbraw/zinc/15/58/98/1123155898.db2.gz CJDXZPCVHRNZHZ-AWEZNQCLSA-N 0 3 287.366 3.957 20 30 CHEDHN C=CCC[C@H](NCc1cccc(N)c1)c1ccco1 ZINC000665232083 1123234662 /nfs/dbraw/zinc/23/46/62/1123234662.db2.gz FPXIBDWZPBXSNA-HNNXBMFYSA-N 0 3 256.349 3.659 20 30 CHEDHN COc1cc(CNC(C)(C)c2ccc(F)cc2)ccc1C#N ZINC000799337631 1129108493 /nfs/dbraw/zinc/10/84/93/1129108493.db2.gz JSDGKWYSESHCIC-UHFFFAOYSA-N 0 3 298.361 3.731 20 30 CHEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1C ZINC000850354926 1123255591 /nfs/dbraw/zinc/25/55/91/1123255591.db2.gz DEAOJMYQKWPUJZ-UHFFFAOYSA-N 0 3 294.398 3.900 20 30 CHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000850423339 1123265306 /nfs/dbraw/zinc/26/53/06/1123265306.db2.gz UQBRPOZLEZVVEF-CQSZACIVSA-N 0 3 292.382 3.734 20 30 CHEDHN Cc1c(CN[C@@H]2CC[C@@H](C#N)C2)oc2ccc(F)cc12 ZINC000442785401 1123337700 /nfs/dbraw/zinc/33/77/00/1123337700.db2.gz XOJRWZFNQXWFTB-DGCLKSJQSA-N 0 3 272.323 3.662 20 30 CHEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)n1 ZINC000851740086 1123376718 /nfs/dbraw/zinc/37/67/18/1123376718.db2.gz SYPITTYPLXKWKI-UHFFFAOYSA-N 0 3 297.377 3.751 20 30 CHEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H](CC)O1 ZINC000398539605 1123410203 /nfs/dbraw/zinc/41/02/03/1123410203.db2.gz UIRGKNPINIJMBN-GASCZTMLSA-N 0 3 266.429 3.596 20 30 CHEDHN C=CCN(C[C@H](OC(C)C)c1ccccc1)C1CC1 ZINC000428288914 1123475036 /nfs/dbraw/zinc/47/50/36/1123475036.db2.gz IKKDXGSPBODTCO-KRWDZBQOSA-N 0 3 259.393 3.803 20 30 CHEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CCCC2(F)F)c1 ZINC000895544511 1123490189 /nfs/dbraw/zinc/49/01/89/1123490189.db2.gz KIPFPSABCAXZCN-LBPRGKRZSA-N 0 3 299.752 3.522 20 30 CHEDHN C#CCOc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000113339191 1123521398 /nfs/dbraw/zinc/52/13/98/1123521398.db2.gz DZUXENDBHXHXKL-LJQANCHMSA-N 0 3 295.357 3.615 20 30 CHEDHN C=C(Br)CN1CCC[C@H]1C1CCCCC1 ZINC000688839387 1129127565 /nfs/dbraw/zinc/12/75/65/1129127565.db2.gz ZEQANRXTWMWIFW-ZDUSSCGKSA-N 0 3 272.230 3.940 20 30 CHEDHN C#Cc1ccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896227843 1123563671 /nfs/dbraw/zinc/56/36/71/1123563671.db2.gz PITNAXVIUWNHEQ-AWEZNQCLSA-N 0 3 297.295 3.534 20 30 CHEDHN C=CCCN[C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856776675 1123568411 /nfs/dbraw/zinc/56/84/11/1123568411.db2.gz HTJZYZUIHYWKAR-MRVPVSSYSA-N 0 3 278.705 3.981 20 30 CHEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000114617978 1123570115 /nfs/dbraw/zinc/57/01/15/1123570115.db2.gz PTKJPYOMNYFVEQ-CZUORRHYSA-N 0 3 298.386 3.550 20 30 CHEDHN CCc1ccc([C@@H]2C[C@H](C)CCN2CCOCCC#N)o1 ZINC000339012657 1123669921 /nfs/dbraw/zinc/66/99/21/1123669921.db2.gz UIHRDFLFDHCIRD-ZBFHGGJFSA-N 0 3 290.407 3.545 20 30 CHEDHN C=C(CN[C@@H](C)c1cncc(F)c1)c1ccccc1 ZINC000346778051 1123713716 /nfs/dbraw/zinc/71/37/16/1123713716.db2.gz LPUZWCRUIJCNIY-ZDUSSCGKSA-N 0 3 256.324 3.585 20 30 CHEDHN Cc1cc(CNCc2ccc(Cl)cc2)ccc1C#N ZINC000443981542 1123716933 /nfs/dbraw/zinc/71/69/33/1123716933.db2.gz OZERLCFPLJXEDB-UHFFFAOYSA-N 0 3 270.763 3.810 20 30 CHEDHN C=CC[C@H](C)NCc1c(Cl)nc2cc(Cl)ccn21 ZINC000796307752 1123734093 /nfs/dbraw/zinc/73/40/93/1123734093.db2.gz CXTNALYJKYBGMD-VIFPVBQESA-N 0 3 284.190 3.695 20 30 CHEDHN N#CCCCNCc1cc(Br)c(Cl)s1 ZINC000276588620 1129145251 /nfs/dbraw/zinc/14/52/51/1129145251.db2.gz CZSAUJXAKCIORU-UHFFFAOYSA-N 0 3 293.617 3.557 20 30 CHEDHN C=C[C@@](C)(O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC001252568593 1123804808 /nfs/dbraw/zinc/80/48/08/1123804808.db2.gz LSISVEAESJUHEJ-NOZJJQNGSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CCOCCN1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000339037691 1123808756 /nfs/dbraw/zinc/80/87/56/1123808756.db2.gz RYBFJZLKAKUMMY-UHFFFAOYSA-N 0 3 296.414 3.768 20 30 CHEDHN C#CC[C@@H]1CCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000862446764 1123810934 /nfs/dbraw/zinc/81/09/34/1123810934.db2.gz DFPMFCBVNQGUPC-CYBMUJFWSA-N 0 3 284.790 3.733 20 30 CHEDHN C=CCSCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794809227 1123957552 /nfs/dbraw/zinc/95/75/52/1123957552.db2.gz DNPQLTIIHASVEB-CQSZACIVSA-N 0 3 265.422 3.661 20 30 CHEDHN C=CCCC[C@H](C)NCc1cccnc1Br ZINC000865521928 1123992098 /nfs/dbraw/zinc/99/20/98/1123992098.db2.gz GYFDTMOZSKGLEM-NSHDSACASA-N 0 3 283.213 3.679 20 30 CHEDHN CC(C)(CCC#N)CNCc1c(Cl)cncc1Cl ZINC000865569032 1123995941 /nfs/dbraw/zinc/99/59/41/1123995941.db2.gz IIJIFCNFRKEGJT-UHFFFAOYSA-N 0 3 286.206 3.808 20 30 CHEDHN CN(Cc1ccc(Br)cc1)CC1(CC#N)CC1 ZINC000088259321 1123996225 /nfs/dbraw/zinc/99/62/25/1123996225.db2.gz DCNAATSZVLCTKF-UHFFFAOYSA-N 0 3 293.208 3.575 20 30 CHEDHN C=C(Cl)CN[C@@H](C)CCc1cncc2ccccc21 ZINC000866299526 1124049040 /nfs/dbraw/zinc/04/90/40/1124049040.db2.gz MVNHCMNOEVOCPC-ZDUSSCGKSA-N 0 3 274.795 3.898 20 30 CHEDHN CC(C)N(Cc1cccc(F)c1C#N)C1CCCC1 ZINC000428386455 1124072100 /nfs/dbraw/zinc/07/21/00/1124072100.db2.gz WYNCXRIPTUSTQS-UHFFFAOYSA-N 0 3 260.356 3.850 20 30 CHEDHN CC(C)(C)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)o1 ZINC000866573029 1124084074 /nfs/dbraw/zinc/08/40/74/1124084074.db2.gz FWMPWQZHLWYERF-QWHCGFSZSA-N 0 3 260.381 3.749 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCc1ncc(Br)s1 ZINC000866617243 1124089929 /nfs/dbraw/zinc/08/99/29/1124089929.db2.gz ZVGVTTLJTRGHPY-DTWKUNHWSA-N 0 3 289.242 3.596 20 30 CHEDHN CC(C)(C#N)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000718004370 1129165822 /nfs/dbraw/zinc/16/58/22/1129165822.db2.gz CLDCAOHWFQHQSS-HOTGVXAUSA-N 0 3 286.419 3.510 20 30 CHEDHN CSc1ccc(F)cc1CN[C@@H](C)CC(C)(C)C#N ZINC000925191312 1124132040 /nfs/dbraw/zinc/13/20/40/1124132040.db2.gz MSMRKKXJCNEOEV-NSHDSACASA-N 0 3 280.412 3.966 20 30 CHEDHN COC[C@@H](NCCCCC1(C#N)CCC1)c1ccc(C)o1 ZINC001119809538 1131264054 /nfs/dbraw/zinc/26/40/54/1131264054.db2.gz CBPQUZMXCMWXPD-OAHLLOKOSA-N 0 3 290.407 3.729 20 30 CHEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H](C)COC ZINC000525865228 1124473783 /nfs/dbraw/zinc/47/37/83/1124473783.db2.gz JDBDDRJRWUYQGQ-NSHDSACASA-N 0 3 273.829 3.672 20 30 CHEDHN C#C[C@@H](C)NCc1ccc(F)c(-c2cccs2)c1 ZINC000123066731 1124559110 /nfs/dbraw/zinc/55/91/10/1124559110.db2.gz MERPIUATUQWHET-LLVKDONJSA-N 0 3 259.349 3.666 20 30 CHEDHN C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000872139912 1124695505 /nfs/dbraw/zinc/69/55/05/1124695505.db2.gz SHYLGLVSOZTTDU-RBSFLKMASA-N 0 3 257.377 3.543 20 30 CHEDHN N#Cc1ccc(CN[C@H]2CCCc3c(F)cccc32)cc1 ZINC000449352100 1124699726 /nfs/dbraw/zinc/69/97/26/1124699726.db2.gz SJTSMKULOOHRSM-SFHVURJKSA-N 0 3 280.346 3.865 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(F)c2)cc1 ZINC000124302545 1124733282 /nfs/dbraw/zinc/73/32/82/1124733282.db2.gz IQTFQJUNDATALA-AWEZNQCLSA-N 0 3 283.346 3.689 20 30 CHEDHN C=CCOc1cccc(CNC2(C)CC(F)(F)C2)c1 ZINC000873197972 1124751070 /nfs/dbraw/zinc/75/10/70/1124751070.db2.gz KRCVHSQDZRBWMX-UHFFFAOYSA-N 0 3 267.319 3.529 20 30 CHEDHN N#Cc1ccc(CNC2(Cc3cccc(Cl)c3)CC2)o1 ZINC000449678392 1124838772 /nfs/dbraw/zinc/83/87/72/1124838772.db2.gz PKPIVLPRRTZYQT-UHFFFAOYSA-N 0 3 286.762 3.670 20 30 CHEDHN CCCC[C@H](CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123477714 1131315745 /nfs/dbraw/zinc/31/57/45/1131315745.db2.gz WPLLWMISXIWNSU-JQWIXIFHSA-N 0 3 280.318 3.752 20 30 CHEDHN CCC1(C(=O)C(C#N)c2ncc(F)cc2F)CCCC1 ZINC001123475281 1131315042 /nfs/dbraw/zinc/31/50/42/1131315042.db2.gz DOYHJYFVEZJFRB-LLVKDONJSA-N 0 3 278.302 3.506 20 30 CHEDHN C#CCCCCCCNC(C)(C)c1nc(C)cs1 ZINC000877035515 1124999965 /nfs/dbraw/zinc/99/99/65/1124999965.db2.gz HVVKADFXHCXPNX-UHFFFAOYSA-N 0 3 264.438 3.860 20 30 CHEDHN C[C@@H]1CN(Cc2cc(C#N)cnc2Cl)[C@@H]2CCCC[C@@H]21 ZINC000877193971 1125018691 /nfs/dbraw/zinc/01/86/91/1125018691.db2.gz VWYVYUWSQOGGOR-KCPJHIHWSA-N 0 3 289.810 3.617 20 30 CHEDHN C#CCCCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000877498118 1125034422 /nfs/dbraw/zinc/03/44/22/1125034422.db2.gz LDTKHIQBXREUAV-UHFFFAOYSA-N 0 3 295.430 3.522 20 30 CHEDHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 ZINC000877520791 1125039158 /nfs/dbraw/zinc/03/91/58/1125039158.db2.gz HYNZVMICQCHECC-KDOFPFPSSA-N 0 3 277.371 3.536 20 30 CHEDHN C#C[C@H](N[C@H](C)CCc1cccnc1)c1ccc(F)cc1 ZINC000877544275 1125042857 /nfs/dbraw/zinc/04/28/57/1125042857.db2.gz NQGHTIPMYIATKS-KDOFPFPSSA-N 0 3 282.362 3.506 20 30 CHEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)C1=CCCC1 ZINC000877577993 1125047697 /nfs/dbraw/zinc/04/76/97/1125047697.db2.gz PVUHHJAYDLDKPG-UHFFFAOYSA-N 0 3 289.810 3.833 20 30 CHEDHN C[C@H](CCc1cncc2ccccc21)NCC1(C#N)CCC1 ZINC000877594929 1125050915 /nfs/dbraw/zinc/05/09/15/1125050915.db2.gz MWPYHDXWVVBYHH-OAHLLOKOSA-N 0 3 293.414 3.839 20 30 CHEDHN CC(C)(C)Oc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000877622582 1125055987 /nfs/dbraw/zinc/05/59/87/1125055987.db2.gz QWIQIXHCKZEQCD-OAHLLOKOSA-N 0 3 286.419 3.990 20 30 CHEDHN CC(C)c1ncc(CN(C)CCc2cccc(C#N)c2)s1 ZINC000877704804 1125065554 /nfs/dbraw/zinc/06/55/54/1125065554.db2.gz WDXXUXCSFRRXNV-UHFFFAOYSA-N 0 3 299.443 3.813 20 30 CHEDHN N#CC1CCN(C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878016451 1125113441 /nfs/dbraw/zinc/11/34/41/1125113441.db2.gz MQBMRDKUZVRZKO-ZWKOTPCHSA-N 0 3 284.403 3.532 20 30 CHEDHN CC(=O)[C@@](C#N)(CCN(C)[C@@H](C)C1(C)CC1)c1ccccc1 ZINC000878179310 1125128645 /nfs/dbraw/zinc/12/86/45/1125128645.db2.gz KUVVLOIRRJOWQS-KXBFYZLASA-N 0 3 298.430 3.547 20 30 CHEDHN C=CC[C@H](C)N[C@H](COCC(C)C)c1ccco1 ZINC000878408346 1125150004 /nfs/dbraw/zinc/15/00/04/1125150004.db2.gz RJTPOAIQNLFTGA-UONOGXRCSA-N 0 3 251.370 3.548 20 30 CHEDHN Cc1ccccc1SC[C@H](C)CN[C@H](C)CC#N ZINC000878819684 1125181132 /nfs/dbraw/zinc/18/11/32/1125181132.db2.gz AOMPMJZXLKWXED-TZMCWYRMSA-N 0 3 262.422 3.615 20 30 CHEDHN N#CC[C@@H]1CCCN(C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878886734 1125183676 /nfs/dbraw/zinc/18/36/76/1125183676.db2.gz OEPIXNNVKIPLFZ-YTQUADARSA-N 0 3 298.430 3.922 20 30 CHEDHN CC(C)(NCc1ccc(C#N)cc1Cl)[C@H]1CCCCO1 ZINC000879407551 1125212977 /nfs/dbraw/zinc/21/29/77/1125212977.db2.gz MGMAMOLOFVHAJA-OAHLLOKOSA-N 0 3 292.810 3.649 20 30 CHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000880003523 1125242976 /nfs/dbraw/zinc/24/29/76/1125242976.db2.gz IKLXUJOCJCJHFL-BXUZGUMPSA-N 0 3 282.309 3.894 20 30 CHEDHN C=CCCC[C@@H](NCc1cc(C)nn1C)c1ccccc1 ZINC000880389178 1125271191 /nfs/dbraw/zinc/27/11/91/1125271191.db2.gz DQCLPHXRMPRQBA-GOSISDBHSA-N 0 3 283.419 3.916 20 30 CHEDHN C=CCCC[C@@H](NCc1c(C)nnn1CC)c1ccccc1 ZINC000880389879 1125271512 /nfs/dbraw/zinc/27/15/12/1125271512.db2.gz KCUCZCICVARABQ-QGZVFWFLSA-N 0 3 298.434 3.794 20 30 CHEDHN C#CCN[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000179711315 1125285504 /nfs/dbraw/zinc/28/55/04/1125285504.db2.gz CYTAMGMHGMAYDM-HNNXBMFYSA-N 0 3 295.382 3.558 20 30 CHEDHN C=C(C)CNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841639540 1125337180 /nfs/dbraw/zinc/33/71/80/1125337180.db2.gz SONVTWLDWSVLIE-SFHVURJKSA-N 0 3 283.419 3.508 20 30 CHEDHN CC(C)(C#N)CN[C@H]1CCCC[C@H]1c1ccccc1 ZINC000168931416 1125355911 /nfs/dbraw/zinc/35/59/11/1125355911.db2.gz NENMSPDKJXZCTA-HOTGVXAUSA-N 0 3 256.393 3.852 20 30 CHEDHN Cc1ccccc1C1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191326103 1125359290 /nfs/dbraw/zinc/35/92/90/1125359290.db2.gz GMWRFPSUJGRBNU-UHFFFAOYSA-N 0 3 293.414 3.585 20 30 CHEDHN C=CCC[C@H](NCc1nc(C(C)C)cs1)[C@H]1CCCO1 ZINC000883198799 1125376690 /nfs/dbraw/zinc/37/66/90/1125376690.db2.gz QAIMBPDJKFPPPG-DZGCQCFKSA-N 0 3 294.464 3.870 20 30 CHEDHN C=CCC[C@@H](NCc1oc(CCC)nc1C)[C@H]1CCCO1 ZINC000883224310 1125379985 /nfs/dbraw/zinc/37/99/85/1125379985.db2.gz JLUNARKYHVADLD-HUUCEWRRSA-N 0 3 292.423 3.539 20 30 CHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(F)cc2)cc1 ZINC000131764471 1125409667 /nfs/dbraw/zinc/40/96/67/1125409667.db2.gz QTGLITNCTBRTQM-AWEZNQCLSA-N 0 3 283.346 3.689 20 30 CHEDHN Cc1ccc(CN[C@@H]2c3ccccc3NC2(C)C)cc1C#N ZINC000883463967 1125411496 /nfs/dbraw/zinc/41/14/96/1125411496.db2.gz BUPQRGYFRNAMIG-GOSISDBHSA-N 0 3 291.398 3.902 20 30 CHEDHN CC(C)(CNCc1ccc(C#N)cc1F)Oc1ccccc1 ZINC000532567591 1125415614 /nfs/dbraw/zinc/41/56/14/1125415614.db2.gz HUCWAIZHOSYYNK-UHFFFAOYSA-N 0 3 298.361 3.645 20 30 CHEDHN C=C(Br)CN[C@H](C)CCc1cccc(C)c1 ZINC000133316479 1125445414 /nfs/dbraw/zinc/44/54/14/1125445414.db2.gz KNJVICPATURIDM-CYBMUJFWSA-N 0 3 282.225 3.814 20 30 CHEDHN Cc1nc2ccc(Nc3cc(F)c(C#N)cc3C)cc2[nH]1 ZINC001213076446 1129207749 /nfs/dbraw/zinc/20/77/49/1129207749.db2.gz RRLQTCUMFMFCPL-UHFFFAOYSA-N 0 3 280.306 3.934 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000037748275 1129264415 /nfs/dbraw/zinc/26/44/15/1129264415.db2.gz SUVKDOWAXHLVOR-KRWDZBQOSA-N 0 3 268.335 3.938 20 30 CHEDHN C=CCC[C@@H](NC[C@@H](O)c1ccccc1C)c1ccco1 ZINC000796762400 1129273890 /nfs/dbraw/zinc/27/38/90/1129273890.db2.gz UXJYEZNNRJWSKO-IAGOWNOFSA-N 0 3 285.387 3.919 20 30 CHEDHN C#CCOc1ccc(CNCc2coc3ccccc23)cc1 ZINC000734003947 1129290660 /nfs/dbraw/zinc/29/06/60/1129290660.db2.gz CEQVTZSFRYOOLG-UHFFFAOYSA-N 0 3 291.350 3.735 20 30 CHEDHN C=CCCCCNCc1nc(C)c(Br)s1 ZINC000719285694 1129326380 /nfs/dbraw/zinc/32/63/80/1129326380.db2.gz BGUYFAUJBXGIMU-UHFFFAOYSA-N 0 3 289.242 3.660 20 30 CHEDHN CCCCC[C@@H](CC)NC(=N)c1ccc(Cl)cn1 ZINC001258431347 1129332860 /nfs/dbraw/zinc/33/28/60/1129332860.db2.gz DBEIQEWWACDFJB-GFCCVEGCSA-N 0 3 267.804 3.799 20 30 CHEDHN CC(C)N(Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735306688 1129338410 /nfs/dbraw/zinc/33/84/10/1129338410.db2.gz RIFQLTMSODLJLF-UHFFFAOYSA-N 0 3 278.783 3.615 20 30 CHEDHN N#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000093319255 1129421473 /nfs/dbraw/zinc/42/14/73/1129421473.db2.gz FHKDRURBDRVNMR-UHFFFAOYSA-N 0 3 296.370 3.802 20 30 CHEDHN N#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000093319255 1129421474 /nfs/dbraw/zinc/42/14/74/1129421474.db2.gz FHKDRURBDRVNMR-UHFFFAOYSA-N 0 3 296.370 3.802 20 30 CHEDHN COc1ccc(CN[C@H]2CCc3c2cccc3C)cc1C#N ZINC000742370538 1129474920 /nfs/dbraw/zinc/47/49/20/1129474920.db2.gz ZWBWBZKWJWFWLT-SFHVURJKSA-N 0 3 292.382 3.652 20 30 CHEDHN C=CCC[C@H](C)N(C)Cc1ncccc1C(F)(F)F ZINC001258724609 1129580968 /nfs/dbraw/zinc/58/09/68/1129580968.db2.gz ARLGINKGNZWXFT-NSHDSACASA-N 0 3 272.314 3.887 20 30 CHEDHN C=CCc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c([O-])c(OC)c1 ZINC000766379135 1129660304 /nfs/dbraw/zinc/66/03/04/1129660304.db2.gz AAHSPIVTSCEWFU-ZIAGYGMSSA-N 0 3 289.419 3.607 20 30 CHEDHN C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c([O-])c(OC)c1 ZINC000766379135 1129660305 /nfs/dbraw/zinc/66/03/05/1129660305.db2.gz AAHSPIVTSCEWFU-ZIAGYGMSSA-N 0 3 289.419 3.607 20 30 CHEDHN C=CCOc1ccc(CNC2(C)CC(F)(F)C2)cc1 ZINC000720977727 1129733681 /nfs/dbraw/zinc/73/36/81/1129733681.db2.gz OLMOXMNQQXMFOT-UHFFFAOYSA-N 0 3 267.319 3.529 20 30 CHEDHN C=CC[C@H]1CC[C@@H](NCc2ncc(CC)s2)C1 ZINC000651726771 1129746330 /nfs/dbraw/zinc/74/63/30/1129746330.db2.gz ZCHMXKYIHUHNTJ-NWDGAFQWSA-N 0 3 250.411 3.540 20 30 CHEDHN C=CCOCCN[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651758321 1129747576 /nfs/dbraw/zinc/74/75/76/1129747576.db2.gz WSCVMGSXWXPURR-OAHLLOKOSA-N 0 3 282.387 3.602 20 30 CHEDHN C#C[C@](C)(CC)Nc1nc2cccc(Br)c2[nH]1 ZINC001169701787 1129749443 /nfs/dbraw/zinc/74/94/43/1129749443.db2.gz UCJFZMQYFZOHBQ-CYBMUJFWSA-N 0 3 292.180 3.539 20 30 CHEDHN C=CCCn1cc(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)nn1 ZINC000653766542 1129794823 /nfs/dbraw/zinc/79/48/23/1129794823.db2.gz IIQBTLLXAVSJBK-CVEARBPZSA-N 0 3 290.455 3.501 20 30 CHEDHN CC[C@H](NCC#Cc1ccccc1Cl)[C@H]1CCCCO1 ZINC000653874723 1129799420 /nfs/dbraw/zinc/79/94/20/1129799420.db2.gz KAVNMESOMIWAIK-DLBZAZTESA-N 0 3 291.822 3.629 20 30 CHEDHN Cc1nc2c(s1)[C@@H](NCc1ccc(C#N)c(C)c1)CCC2 ZINC000767682962 1129807837 /nfs/dbraw/zinc/80/78/37/1129807837.db2.gz HLDJWWPIAXVBBS-HNNXBMFYSA-N 0 3 297.427 3.799 20 30 CHEDHN C#CCCOc1ccc(CN(C)Cc2cccc(F)c2)cc1 ZINC000768159346 1129836664 /nfs/dbraw/zinc/83/66/64/1129836664.db2.gz AUNFDFLZKACLHC-UHFFFAOYSA-N 0 3 297.373 3.860 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1cncc2ccccc21 ZINC000768263543 1129848552 /nfs/dbraw/zinc/84/85/52/1129848552.db2.gz UPVLERMGWCETHY-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN C[C@H]1CCC[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000768354306 1129854127 /nfs/dbraw/zinc/85/41/27/1129854127.db2.gz HKDHACNGVAJDSD-KBPBESRZSA-N 0 3 268.364 3.605 20 30 CHEDHN CCCCCCCC[C@@H](N)c1nc(C2(N)CCCC2)no1 ZINC000900005820 1129857284 /nfs/dbraw/zinc/85/72/84/1129857284.db2.gz MFPYAMCBSLCKQA-CYBMUJFWSA-N 0 3 294.443 3.548 20 30 CHEDHN C#CCOc1ccc(CN(Cc2ccccn2)C(C)C)cc1 ZINC000768925377 1129881307 /nfs/dbraw/zinc/88/13/07/1129881307.db2.gz HKBKCNSFNJEQGJ-UHFFFAOYSA-N 0 3 294.398 3.504 20 30 CHEDHN C#CCCOc1ccc(CN[C@H](C)c2cnccc2C)cc1 ZINC000770746790 1129958404 /nfs/dbraw/zinc/95/84/04/1129958404.db2.gz OPPLYTPMYINCOS-MRXNPFEDSA-N 0 3 294.398 3.643 20 30 CHEDHN CC[C@H](NCc1c(C)nn(CC)c1C)c1cccc(C#N)c1 ZINC000902790969 1130059366 /nfs/dbraw/zinc/05/93/66/1130059366.db2.gz TYDMNIVCLITZRJ-SFHVURJKSA-N 0 3 296.418 3.632 20 30 CHEDHN C[C@@H](NC[C@H](C)Sc1ccccc1)c1cc(C#N)ccn1 ZINC000902821986 1130063512 /nfs/dbraw/zinc/06/35/12/1130063512.db2.gz OIZZGPLKPBIMNY-UONOGXRCSA-N 0 3 297.427 3.785 20 30 CHEDHN C[C@H](NCC1(C(F)(F)F)CCCC1)c1cc(C#N)ccn1 ZINC000903070427 1130107709 /nfs/dbraw/zinc/10/77/09/1130107709.db2.gz BKZQLJGOCBMXSU-NSHDSACASA-N 0 3 297.324 3.727 20 30 CHEDHN C=CCC[C@@H](NCc1ccnn1C)c1cccc(Cl)c1 ZINC000903068118 1130107772 /nfs/dbraw/zinc/10/77/72/1130107772.db2.gz ZULSOQGWJGRHGE-MRXNPFEDSA-N 0 3 289.810 3.871 20 30 CHEDHN CC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000903083038 1130109781 /nfs/dbraw/zinc/10/97/81/1130109781.db2.gz YNJUAPCTCCFKAF-FRRDWIJNSA-N 0 3 268.282 3.550 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CC1(Cl)Cl ZINC000746650540 1130137664 /nfs/dbraw/zinc/13/76/64/1130137664.db2.gz AKKWFQBRQZUGQX-CQSZACIVSA-N 0 3 297.229 3.962 20 30 CHEDHN CC(C)[C@H](CCc1ccccc1)NCc1nc(C#N)cs1 ZINC000903263486 1130139255 /nfs/dbraw/zinc/13/92/55/1130139255.db2.gz NIMISTFYICKWCA-INIZCTEOSA-N 0 3 299.443 3.762 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000787308783 1130146282 /nfs/dbraw/zinc/14/62/82/1130146282.db2.gz GEVNMIZCABDELK-HOCLYGCPSA-N 0 3 270.376 3.518 20 30 CHEDHN C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000903427146 1130174930 /nfs/dbraw/zinc/17/49/30/1130174930.db2.gz FEIJTPKLKOHNLQ-SGTLLEGYSA-N 0 3 295.361 3.894 20 30 CHEDHN C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1 ZINC000903428225 1130176099 /nfs/dbraw/zinc/17/60/99/1130176099.db2.gz NNPXAJROWOKJBR-UGSOOPFHSA-N 0 3 277.371 3.755 20 30 CHEDHN CC(C)CN(CCC#N)CC[C@@H](C)OCc1ccccc1 ZINC000789325876 1130243573 /nfs/dbraw/zinc/24/35/73/1130243573.db2.gz JJLUTAVOBTWNJE-QGZVFWFLSA-N 0 3 288.435 3.853 20 30 CHEDHN C#CCn1ccc(CN(CC)C[C@H](CC)CCCC)n1 ZINC000789330182 1130244614 /nfs/dbraw/zinc/24/46/14/1130244614.db2.gz ZFGVOLIHRBJXBG-MRXNPFEDSA-N 0 3 275.440 3.555 20 30 CHEDHN CC#CCN[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000676755974 1130270585 /nfs/dbraw/zinc/27/05/85/1130270585.db2.gz YJTZYNQFDINMHG-CQSZACIVSA-N 0 3 266.344 3.548 20 30 CHEDHN COCC#CCN(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000677817733 1130334299 /nfs/dbraw/zinc/33/42/99/1130334299.db2.gz AOYKQFNTTNWETI-UHFFFAOYSA-N 0 3 299.336 3.566 20 30 CHEDHN CCCCCCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000792198363 1130437070 /nfs/dbraw/zinc/43/70/70/1130437070.db2.gz CKTFSKQNBHMMMN-SFHVURJKSA-N 0 3 296.499 3.534 20 30 CHEDHN CN(Cc1c[nH]c2ccc(F)cc12)Cc1cccc(C#N)c1 ZINC001137342824 1130445124 /nfs/dbraw/zinc/44/51/24/1130445124.db2.gz OAYZXKMTAXDVRT-UHFFFAOYSA-N 0 3 293.345 3.811 20 30 CHEDHN CCCCCCCCC[NH+]1CCC(c2n[n-]c(=O)o2)CC1 ZINC001170244681 1130467262 /nfs/dbraw/zinc/46/72/62/1130467262.db2.gz QSWDTWOFROPKCT-UHFFFAOYSA-N 0 3 295.427 3.705 20 30 CHEDHN C#CCN(CCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC001170374924 1130488799 /nfs/dbraw/zinc/48/87/99/1130488799.db2.gz ASJBDJJYLIMOST-UHFFFAOYSA-N 0 3 297.320 3.572 20 30 CHEDHN C=CCOCCN[C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000679575963 1130540897 /nfs/dbraw/zinc/54/08/97/1130540897.db2.gz FJIGVFGFNGGZNL-HNNXBMFYSA-N 0 3 295.810 3.654 20 30 CHEDHN C=CCOCCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000679576435 1130541580 /nfs/dbraw/zinc/54/15/80/1130541580.db2.gz OBPWAVOWSKOSSR-CYBMUJFWSA-N 0 3 286.202 3.773 20 30 CHEDHN C#C[C@H](N[C@@H](C)CC1CCOCC1)c1ccc(Cl)cc1 ZINC000811516054 1130615503 /nfs/dbraw/zinc/61/55/03/1130615503.db2.gz CNVCJQVPBJQXAE-GUYCJALGSA-N 0 3 291.822 3.809 20 30 CHEDHN C=CCC(CC=C)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000758525359 1130616149 /nfs/dbraw/zinc/61/61/49/1130616149.db2.gz WTYAOEZENKMZEX-GOSISDBHSA-N 0 3 299.414 3.573 20 30 CHEDHN C#CC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234998539 1130700948 /nfs/dbraw/zinc/70/09/48/1130700948.db2.gz LBMXJZATDHGOSF-UHFFFAOYSA-N 0 3 291.394 3.904 20 30 CHEDHN C#C[C@H](NC[C@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000812792521 1130712909 /nfs/dbraw/zinc/71/29/09/1130712909.db2.gz BGFAJUASFAKQCF-QAPCUYQASA-N 0 3 295.357 3.656 20 30 CHEDHN C#C[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000812793846 1130718336 /nfs/dbraw/zinc/71/83/36/1130718336.db2.gz HIPPLZAZAPHOGS-WDSOQIARSA-N 0 3 279.358 3.893 20 30 CHEDHN C#C[C@H](N[C@H](C)Cc1ccccc1OC)c1ccc(F)cc1 ZINC000812793838 1130719178 /nfs/dbraw/zinc/71/91/78/1130719178.db2.gz HFBWLWQUBGQNQQ-KDOFPFPSSA-N 0 3 297.373 3.729 20 30 CHEDHN CCCCCCCCN(C)Cc1cc(C(=O)OC)ccn1 ZINC001235203390 1130724067 /nfs/dbraw/zinc/72/40/67/1130724067.db2.gz NQFNAWSUJSGHPU-UHFFFAOYSA-N 0 3 292.423 3.661 20 30 CHEDHN N#CC(C(=O)CCCC1CC1)c1ccc2ccccc2n1 ZINC000813057681 1130732123 /nfs/dbraw/zinc/73/21/23/1130732123.db2.gz PAFNTRHUAWAFLT-HNNXBMFYSA-N 0 3 278.355 3.991 20 30 CHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC000781752171 1130737761 /nfs/dbraw/zinc/73/77/61/1130737761.db2.gz VIFBGDJDSQIPHR-QWHCGFSZSA-N 0 3 295.386 3.576 20 30 CHEDHN CC1(C)CC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000781771270 1130739162 /nfs/dbraw/zinc/73/91/62/1130739162.db2.gz CIVWVTFTFSEVAT-NEPJUHHUSA-N 0 3 282.343 3.830 20 30 CHEDHN CC1(C)CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000781771271 1130739326 /nfs/dbraw/zinc/73/93/26/1130739326.db2.gz CIVWVTFTFSEVAT-NWDGAFQWSA-N 0 3 282.343 3.830 20 30 CHEDHN CCCCCCCN(C)Cc1nc(Cl)ccc1N ZINC001235663946 1130764256 /nfs/dbraw/zinc/76/42/56/1130764256.db2.gz YSHNSRKKXYOHIY-UHFFFAOYSA-N 0 3 269.820 3.719 20 30 CHEDHN C#C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678847 1130767510 /nfs/dbraw/zinc/76/75/10/1130767510.db2.gz NSLLDJYXZDYCLQ-CQSZACIVSA-N 0 3 271.404 3.535 20 30 CHEDHN C#C[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678847 1130767514 /nfs/dbraw/zinc/76/75/14/1130767514.db2.gz NSLLDJYXZDYCLQ-CQSZACIVSA-N 0 3 271.404 3.535 20 30 CHEDHN N#Cc1cccc(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236003205 1130829468 /nfs/dbraw/zinc/82/94/68/1130829468.db2.gz UBSCWWKMXGTWBB-UHFFFAOYSA-N 0 3 295.361 3.745 20 30 CHEDHN C#CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000783525194 1130834420 /nfs/dbraw/zinc/83/44/20/1130834420.db2.gz LOTQICUBKWIELG-WMLDXEAASA-N 0 3 265.356 3.807 20 30 CHEDHN CC[C@H](SC)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567427 1130993672 /nfs/dbraw/zinc/99/36/72/1130993672.db2.gz HUYRTJHTQCKDMR-ZJUUUORDSA-N 0 3 296.461 3.758 20 30 CHEDHN C=CC[C@H](C)[C@H](C)NCc1c(F)cc(F)cc1F ZINC000815649075 1131016509 /nfs/dbraw/zinc/01/65/09/1131016509.db2.gz GXRPPTOVKVTRHI-UWVGGRQHSA-N 0 3 257.299 3.794 20 30 CHEDHN C=CCN(Cc1ccncc1C(F)(F)F)C(C)(C)C ZINC001237303217 1131081661 /nfs/dbraw/zinc/08/16/61/1131081661.db2.gz RSDQVKNNYKHRPA-UHFFFAOYSA-N 0 3 272.314 3.887 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC001237470942 1131102358 /nfs/dbraw/zinc/10/23/58/1131102358.db2.gz YJZYXAPCVYTNOI-UHFFFAOYSA-N 0 3 277.371 3.532 20 30 CHEDHN C=C(Br)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548920 1131106916 /nfs/dbraw/zinc/10/69/16/1131106916.db2.gz XMONOLRPKSPGPJ-UHFFFAOYSA-N 0 3 292.176 3.544 20 30 CHEDHN Cc1cc(Cl)cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1[O-] ZINC001237686749 1131126606 /nfs/dbraw/zinc/12/66/06/1131126606.db2.gz NBNYDERMQDYWLD-UWEBFBLFSA-N 0 3 290.794 3.621 20 30 CHEDHN Cc1cc(Cl)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1[O-] ZINC001237686749 1131126608 /nfs/dbraw/zinc/12/66/08/1131126608.db2.gz NBNYDERMQDYWLD-UWEBFBLFSA-N 0 3 290.794 3.621 20 30 CHEDHN N#Cc1cc(Cl)cc(CN2CC[C@H]3CCC[C@H]3C2)c1 ZINC001237749199 1131137358 /nfs/dbraw/zinc/13/73/58/1131137358.db2.gz QOMITUPHWBXXPF-CABCVRRESA-N 0 3 274.795 3.834 20 30 CHEDHN C[C@H]1CCCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237745153 1131137390 /nfs/dbraw/zinc/13/73/90/1131137390.db2.gz CGOXGTJCJWMTQF-LBPRGKRZSA-N 0 3 262.784 3.834 20 30 CHEDHN C=C(C)CN(CC)Cc1sc(N2CCCCC2)nc1C ZINC001116438434 1131145653 /nfs/dbraw/zinc/14/56/53/1131145653.db2.gz FSJUOQTWNQOALZ-UHFFFAOYSA-N 0 3 293.480 3.840 20 30 CHEDHN CC1(C#N)CCN(Cc2ccccc2C2CCOCC2)CC1 ZINC001237909485 1131150197 /nfs/dbraw/zinc/15/01/97/1131150197.db2.gz PCYUHHFPTSWQFH-UHFFFAOYSA-N 0 3 298.430 3.706 20 30 CHEDHN C=C[C@@H](COC)NCc1ccc(N(C)c2ccccc2)cc1 ZINC001116615827 1131157943 /nfs/dbraw/zinc/15/79/43/1131157943.db2.gz OLVXCKVJSNTEIS-KRWDZBQOSA-N 0 3 296.414 3.745 20 30 CHEDHN C#CCOc1ccc([C@@H](C)NCc2cc(C)nc(C)c2)cc1 ZINC000817590113 1131175444 /nfs/dbraw/zinc/17/54/44/1131175444.db2.gz TWPAUGGEQISLOW-MRXNPFEDSA-N 0 3 294.398 3.561 20 30 CHEDHN C#C[C@H](C)N(C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000829283544 1131416615 /nfs/dbraw/zinc/41/66/15/1131416615.db2.gz RPVRDXQIIOOLQN-NWDGAFQWSA-N 0 3 269.310 3.806 20 30 CHEDHN C=CCN(C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137858021 1131425116 /nfs/dbraw/zinc/42/51/16/1131425116.db2.gz SWCGSJYQLLBPPM-UHFFFAOYSA-N 0 3 254.377 3.712 20 30 CHEDHN C#CC[C@H]1CCCN([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000829773376 1131432754 /nfs/dbraw/zinc/43/27/54/1131432754.db2.gz DOWPIEPKLFAJTF-GJZGRUSLSA-N 0 3 295.386 3.533 20 30 CHEDHN N#CC[C@H]1CCCN([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171051810 1131461903 /nfs/dbraw/zinc/46/19/03/1131461903.db2.gz XDMLFKXYFMQBBJ-UKRRQHHQSA-N 0 3 288.822 3.823 20 30 CHEDHN C#C[C@@H](NCc1cnc(-c2ccccc2F)s1)C(C)C ZINC000824363465 1131465978 /nfs/dbraw/zinc/46/59/78/1131465978.db2.gz DWCURMHJRDZHSH-OAHLLOKOSA-N 0 3 288.391 3.697 20 30 CHEDHN C=CCCCCCCNCc1cc(F)ncc1F ZINC000824376591 1131467376 /nfs/dbraw/zinc/46/73/76/1131467376.db2.gz KTANXIDCUMLGMC-UHFFFAOYSA-N 0 3 254.324 3.586 20 30 CHEDHN C#CCCOc1ccc(CNCc2cc(C)cs2)cc1 ZINC000824750435 1131484140 /nfs/dbraw/zinc/48/41/40/1131484140.db2.gz JIJTYCYNTFTNAN-UHFFFAOYSA-N 0 3 285.412 3.748 20 30 CHEDHN C#CCOc1ccc(CN2CCC(F)(F)C(C)(C)C2)cc1 ZINC001138556237 1131520976 /nfs/dbraw/zinc/52/09/76/1131520976.db2.gz LJVVLDPPXOCQFI-UHFFFAOYSA-N 0 3 293.357 3.566 20 30 CHEDHN C=CCc1cccc(C[N@@H+]2CCc3cc(C)ccc3C2)c1[O-] ZINC001138631715 1131529235 /nfs/dbraw/zinc/52/92/35/1131529235.db2.gz ZPADAWOCFNPHPU-UHFFFAOYSA-N 0 3 293.410 3.987 20 30 CHEDHN C=CCc1cccc(C[N@H+]2CCc3cc(C)ccc3C2)c1[O-] ZINC001138631715 1131529236 /nfs/dbraw/zinc/52/92/36/1131529236.db2.gz ZPADAWOCFNPHPU-UHFFFAOYSA-N 0 3 293.410 3.987 20 30 CHEDHN C=CCc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1[O-] ZINC001138630515 1131529781 /nfs/dbraw/zinc/52/97/81/1131529781.db2.gz YAMWNTCZWHEKTA-UHFFFAOYSA-N 0 3 292.382 3.624 20 30 CHEDHN C=CCc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1[O-] ZINC001138630515 1131529786 /nfs/dbraw/zinc/52/97/86/1131529786.db2.gz YAMWNTCZWHEKTA-UHFFFAOYSA-N 0 3 292.382 3.624 20 30 CHEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2c(c1)CCCO2 ZINC001138717878 1131540474 /nfs/dbraw/zinc/54/04/74/1131540474.db2.gz VCVDJOCRFWZUBU-UHFFFAOYSA-N 0 3 292.382 3.515 20 30 CHEDHN C=CCN(Cc1cccc2ccnn21)C1CCCCC1 ZINC001138810093 1131550955 /nfs/dbraw/zinc/55/09/55/1131550955.db2.gz LGFOGURDYHXFEU-UHFFFAOYSA-N 0 3 269.392 3.655 20 30 CHEDHN C#CCN(C)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139067919 1131579340 /nfs/dbraw/zinc/57/93/40/1131579340.db2.gz SAAMELVGKUGXPV-UHFFFAOYSA-N 0 3 253.320 3.558 20 30 CHEDHN CC[C@H](c1ccccc1)N(C)Cc1cncc(C#N)c1 ZINC001144083698 1131581959 /nfs/dbraw/zinc/58/19/59/1131581959.db2.gz PDGXKSKNVVUASA-QGZVFWFLSA-N 0 3 265.360 3.536 20 30 CHEDHN CCn1ccc2ccc(CN3CCC(C)(C#N)CC3)cc21 ZINC001139123730 1131584923 /nfs/dbraw/zinc/58/49/23/1131584923.db2.gz CLGFIMBJZLUMCA-UHFFFAOYSA-N 0 3 281.403 3.787 20 30 CHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2cccnc2c1 ZINC001139169095 1131590200 /nfs/dbraw/zinc/59/02/00/1131590200.db2.gz GDQCXJPYCRYXCD-UHFFFAOYSA-N 0 3 287.366 3.738 20 30 CHEDHN Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(C#N)cn2)c1 ZINC001144166447 1131594484 /nfs/dbraw/zinc/59/44/84/1131594484.db2.gz GSNUDOZWLGGDLK-IBGZPJMESA-N 0 3 291.398 3.907 20 30 CHEDHN CCCCCCC[N@H+](CC)Cc1ccc([O-])cn1 ZINC001144259395 1131606278 /nfs/dbraw/zinc/60/62/78/1131606278.db2.gz QIXDSZYZCANYTH-UHFFFAOYSA-N 0 3 250.386 3.580 20 30 CHEDHN CCCCCCC[N@@H+](CC)Cc1ccc([O-])cn1 ZINC001144259395 1131606280 /nfs/dbraw/zinc/60/62/80/1131606280.db2.gz QIXDSZYZCANYTH-UHFFFAOYSA-N 0 3 250.386 3.580 20 30 CHEDHN CCCCN(C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423999 1131608157 /nfs/dbraw/zinc/60/81/57/1131608157.db2.gz LVECDEBIPAURTJ-UHFFFAOYSA-N 0 3 295.386 3.977 20 30 CHEDHN CCOc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1CC ZINC001139623841 1131624945 /nfs/dbraw/zinc/62/49/45/1131624945.db2.gz OMTSRSSQTMKDBP-XGWQRUHWSA-N 0 3 298.430 3.914 20 30 CHEDHN CCCCCCC[C@H](C)N1CC[C@@](N)(C(F)(F)F)C1 ZINC001246564914 1131627550 /nfs/dbraw/zinc/62/75/50/1131627550.db2.gz ADCODTJUAVQFPK-STQMWFEESA-N 0 3 280.378 3.701 20 30 CHEDHN N#Cc1cccc2c(CN3CC[C@H]4CCC[C@@H]4C3)c[nH]c21 ZINC001139704616 1131630032 /nfs/dbraw/zinc/63/00/32/1131630032.db2.gz WUUHLQVRTFEUEO-UKRRQHHQSA-N 0 3 279.387 3.662 20 30 CHEDHN Cc1csc([C@@H](C)N[C@H](C)Cc2cccc(C#N)c2)n1 ZINC001171181298 1131633247 /nfs/dbraw/zinc/63/32/47/1131633247.db2.gz JIFGDESRZKPCGV-DGCLKSJQSA-N 0 3 285.416 3.605 20 30 CHEDHN N#CCC1CN(Cc2cccc3c4ccccc4oc32)C1 ZINC001139857731 1131641034 /nfs/dbraw/zinc/64/10/34/1131641034.db2.gz PNYOVASOYLCJLQ-UHFFFAOYSA-N 0 3 276.339 3.931 20 30 CHEDHN C=CCN(C)CCN(CC)C(=O)CCC1CCCCCC1 ZINC001139869679 1131642494 /nfs/dbraw/zinc/64/24/94/1131642494.db2.gz PLFZCDUDWUPGAW-UHFFFAOYSA-N 0 3 294.483 3.703 20 30 CHEDHN CCCCCCCN(C)Cc1ccnc(SC)n1 ZINC001140038338 1131658536 /nfs/dbraw/zinc/65/85/36/1131658536.db2.gz VIRQDPGCLVCLJQ-UHFFFAOYSA-N 0 3 267.442 3.601 20 30 CHEDHN C=CCN(CC=C)Cc1ccc(-c2ccncc2)cc1 ZINC001140172820 1131672369 /nfs/dbraw/zinc/67/23/69/1131672369.db2.gz CNPURHIHQHXKHC-UHFFFAOYSA-N 0 3 264.372 3.923 20 30 CHEDHN C=CCN(CC=C)Cc1c[nH]c2ccc(OCC)cc12 ZINC001140270762 1131686720 /nfs/dbraw/zinc/68/67/20/1131686720.db2.gz QQBFDBKEBFOYOW-UHFFFAOYSA-N 0 3 270.376 3.741 20 30 CHEDHN C=CCOc1cccc(CN2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846106517 1131691192 /nfs/dbraw/zinc/69/11/92/1131691192.db2.gz BVPJLLFGSZZMSZ-MRXNPFEDSA-N 0 3 293.357 3.873 20 30 CHEDHN CN(Cc1ccc2scnc2c1)Cc1cccc(C#N)c1 ZINC001144744068 1131703710 /nfs/dbraw/zinc/70/37/10/1131703710.db2.gz HZNAACRMGWBWQQ-UHFFFAOYSA-N 0 3 293.395 3.800 20 30 CHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC001171220882 1131706409 /nfs/dbraw/zinc/70/64/09/1131706409.db2.gz FGIOVQBKTDJXPL-WFASDCNBSA-N 0 3 296.336 3.764 20 30 CHEDHN Cc1cc(C#N)ccc1NC[C@H](c1ccsc1)N(C)C ZINC000846746142 1131726641 /nfs/dbraw/zinc/72/66/41/1131726641.db2.gz RMSMPHBYAUNBRD-MRXNPFEDSA-N 0 3 285.416 3.643 20 30 CHEDHN C#Cc1cccc(CN[C@H](C)c2sc(C)nc2C)c1 ZINC000834903028 1131727342 /nfs/dbraw/zinc/72/73/42/1131727342.db2.gz NWFRGXPRPGZDBK-LLVKDONJSA-N 0 3 270.401 3.592 20 30 CHEDHN C=CCCCCN(C)Cc1nc(Cl)ccc1C ZINC001140446509 1131740358 /nfs/dbraw/zinc/74/03/58/1131740358.db2.gz KIUMXONRHCRUPM-UHFFFAOYSA-N 0 3 252.789 3.832 20 30 CHEDHN CC(C)(C(=O)C(C#N)c1nc2ccccc2o1)C1CCC1 ZINC000835076154 1131768304 /nfs/dbraw/zinc/76/83/04/1131768304.db2.gz DPYNELLISZWOHO-GFCCVEGCSA-N 0 3 282.343 3.830 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2cc(Cl)nc3ccccc23)C1 ZINC000847020608 1131771531 /nfs/dbraw/zinc/77/15/31/1131771531.db2.gz CQOOIGCDFZUXAV-CYBMUJFWSA-N 0 3 284.790 3.733 20 30 CHEDHN C#C[C@@H]1CCCN(Cc2ccccc2Oc2cccnc2)C1 ZINC000847026424 1131772504 /nfs/dbraw/zinc/77/25/04/1131772504.db2.gz PJDYUUXMNQIILM-MRXNPFEDSA-N 0 3 292.382 3.719 20 30 CHEDHN CC[C@H](c1ccccc1)N(C)Cc1ccc(C#N)nc1 ZINC001140545800 1131786409 /nfs/dbraw/zinc/78/64/09/1131786409.db2.gz LIKXQNGDDHEABH-QGZVFWFLSA-N 0 3 265.360 3.536 20 30 CHEDHN N#Cc1ccc(Cl)c(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001140602802 1131823665 /nfs/dbraw/zinc/82/36/65/1131823665.db2.gz PVUTUBZJOQMQFU-BBRMVZONSA-N 0 3 274.795 3.976 20 30 CHEDHN CN(C)Cc1c(O[C@@H]2CC[C@H](C#N)C2)ccc2ccccc21 ZINC001228439685 1131882144 /nfs/dbraw/zinc/88/21/44/1131882144.db2.gz SAMJZIHDLLHBFM-GOEBONIOSA-N 0 3 294.398 3.972 20 30 CHEDHN C#C[C@@H](CC)Oc1ccc2ccccc2c1CN(C)C ZINC001228442688 1131884836 /nfs/dbraw/zinc/88/48/36/1131884836.db2.gz WJXRZINPIDMIQN-HNNXBMFYSA-N 0 3 267.372 3.692 20 30 CHEDHN C#C[C@H](CC)Oc1ccc2ccccc2c1CN(C)C ZINC001228442690 1131884951 /nfs/dbraw/zinc/88/49/51/1131884951.db2.gz WJXRZINPIDMIQN-OAHLLOKOSA-N 0 3 267.372 3.692 20 30 CHEDHN C#CC[C@@H]1CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001171490481 1132038110 /nfs/dbraw/zinc/03/81/10/1132038110.db2.gz OUYBSKBHEIHDIB-QWHCGFSZSA-N 0 3 263.331 3.761 20 30 CHEDHN N#CCC1(N[C@@H]2CCc3cc(F)c(F)cc3C2)CCCC1 ZINC001171474816 1132042285 /nfs/dbraw/zinc/04/22/85/1132042285.db2.gz XXNCAZVYCSYNOX-CQSZACIVSA-N 0 3 290.357 3.638 20 30 CHEDHN C#C[C@H]1CCCN(Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141208748 1132043452 /nfs/dbraw/zinc/04/34/52/1132043452.db2.gz JFKYELXYZPJXNA-HNNXBMFYSA-N 0 3 294.373 3.733 20 30 CHEDHN CC1CN(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141289910 1132072137 /nfs/dbraw/zinc/07/21/37/1132072137.db2.gz SOAODLJUPUSPNL-UHFFFAOYSA-N 0 3 278.355 3.802 20 30 CHEDHN C[C@H]1CCN1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141290044 1132072234 /nfs/dbraw/zinc/07/22/34/1132072234.db2.gz ZAXCXOKPUBDWHB-AWEZNQCLSA-N 0 3 278.355 3.945 20 30 CHEDHN C=C1CC=C(F)C=C1N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171735475 1132097507 /nfs/dbraw/zinc/09/75/07/1132097507.db2.gz WLCFLNRTAYNGNT-YJBOKZPZSA-N 0 3 298.405 3.936 20 30 CHEDHN C#C[C@H](Oc1ccccc1CN(C)C)c1ccccc1 ZINC001229699162 1132107841 /nfs/dbraw/zinc/10/78/41/1132107841.db2.gz JXARECMRPKELNF-KRWDZBQOSA-N 0 3 265.356 3.502 20 30 CHEDHN CC[C@@H](C)OCC[C@H](C)N1CCc2ccc(C#N)cc2C1 ZINC001172332894 1132172504 /nfs/dbraw/zinc/17/25/04/1132172504.db2.gz VFTAGTMIZFNZJM-LSDHHAIUSA-N 0 3 286.419 3.510 20 30 CHEDHN C#C[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2OC)C1 ZINC001141611435 1132205928 /nfs/dbraw/zinc/20/59/28/1132205928.db2.gz XNGKGBYHSVYQLO-LBPRGKRZSA-N 0 3 297.320 3.559 20 30 CHEDHN C=CCCCCCC[C@@H](C)Oc1nncc2n[nH]cc21 ZINC001230899812 1132225352 /nfs/dbraw/zinc/22/53/52/1132225352.db2.gz AJZJSVOCHUWXMZ-GFCCVEGCSA-N 0 3 274.368 3.647 20 30 CHEDHN C[C@@H](CCCC#N)NCc1cnc(Cl)cc1Cl ZINC001172488343 1132245323 /nfs/dbraw/zinc/24/53/23/1132245323.db2.gz KQTMVALIHNFVSD-VIFPVBQESA-N 0 3 272.179 3.560 20 30 CHEDHN C[C@H](CCCC#N)N(C)Cc1nc2ccccc2s1 ZINC001172492458 1132246939 /nfs/dbraw/zinc/24/69/39/1132246939.db2.gz LLZQZDFGRQHHNP-GFCCVEGCSA-N 0 3 273.405 3.810 20 30 CHEDHN CC(C)N(CC(=O)c1ccccc1)[C@@H](C)CCCC#N ZINC001172499274 1132249203 /nfs/dbraw/zinc/24/92/03/1132249203.db2.gz CMHSBXXJZWXYCB-HNNXBMFYSA-N 0 3 272.392 3.662 20 30 CHEDHN C[C@@H](CCCC#N)N1CCSC[C@H]1c1ccc(F)cc1 ZINC001172499556 1132250325 /nfs/dbraw/zinc/25/03/25/1132250325.db2.gz DUGWOELMOUCIRR-BBRMVZONSA-N 0 3 292.423 3.998 20 30 CHEDHN CCCCCCCC[C@H](CC)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001172502471 1132251258 /nfs/dbraw/zinc/25/12/58/1132251258.db2.gz PUXVRWOQHHQFHI-BBWFWOEESA-N 0 3 295.467 3.663 20 30 CHEDHN CCCN(CCC#N)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565267 1132270777 /nfs/dbraw/zinc/27/07/77/1132270777.db2.gz UXFIPZSMSPBEIS-IAGOWNOFSA-N 0 3 256.393 3.948 20 30 CHEDHN C[C@]1(C#N)CCN([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172545432 1132279156 /nfs/dbraw/zinc/27/91/56/1132279156.db2.gz ABKHXRSYYNYWGX-FGTMMUONSA-N 0 3 268.404 3.948 20 30 CHEDHN CN(C)c1ccc2cc(CN3CCC(C#N)CC3)ccc2c1 ZINC001231436995 1132294794 /nfs/dbraw/zinc/29/47/94/1132294794.db2.gz OOZQXXRBOMRZGV-UHFFFAOYSA-N 0 3 293.414 3.641 20 30 CHEDHN C=CCN(Cc1c[nH]c2cnccc12)Cc1ccccc1 ZINC001231522299 1132313740 /nfs/dbraw/zinc/31/37/40/1132313740.db2.gz WLFRBAWGDMXOTL-UHFFFAOYSA-N 0 3 277.371 3.751 20 30 CHEDHN C=CCOc1cccc(CN2CC(c3ccccc3)C2)c1 ZINC001231625052 1132329262 /nfs/dbraw/zinc/32/92/62/1132329262.db2.gz KROXFPQIWLTVQZ-UHFFFAOYSA-N 0 3 279.383 3.851 20 30 CHEDHN C#Cc1cccc(CN2CCc3ccccc3[C@H]2C)c1 ZINC001231658186 1132338087 /nfs/dbraw/zinc/33/80/87/1132338087.db2.gz QVEQLTFUFZADRT-OAHLLOKOSA-N 0 3 261.368 3.787 20 30 CHEDHN C=C(Br)CN[C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000841746363 1132390551 /nfs/dbraw/zinc/39/05/51/1132390551.db2.gz FLWCXCVHJOXLJE-OUAUKWLOSA-N 0 3 286.238 3.738 20 30 CHEDHN C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000841762122 1132395890 /nfs/dbraw/zinc/39/58/90/1132395890.db2.gz LYQQQNUHPKZALO-FZKQIMNGSA-N 0 3 292.382 3.992 20 30 CHEDHN C[C@H]1CCC[C@H](C)N1Cc1ccc(C#N)c(Cl)c1 ZINC001232109953 1132423646 /nfs/dbraw/zinc/42/36/46/1132423646.db2.gz IMKWUIXHSNXBML-RYUDHWBXSA-N 0 3 262.784 3.975 20 30 CHEDHN N#Cc1ccc(CN2CCCCCCC2)cc1Cl ZINC001232115390 1132423758 /nfs/dbraw/zinc/42/37/58/1132423758.db2.gz NPWXRHLXSHWDQJ-UHFFFAOYSA-N 0 3 262.784 3.978 20 30 CHEDHN C[C@H]1CCCCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232119524 1132425474 /nfs/dbraw/zinc/42/54/74/1132425474.db2.gz FLEISJMZOOSEQQ-LBPRGKRZSA-N 0 3 262.784 3.976 20 30 CHEDHN N#Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)cc1Cl ZINC001232119577 1132426459 /nfs/dbraw/zinc/42/64/59/1132426459.db2.gz GXAOXNOPGDSPIT-MRXNPFEDSA-N 0 3 297.789 3.596 20 30 CHEDHN CC(=NNC12CC(C1)C2)c1ccc(N2CCCCC2)cc1 ZINC000842547443 1132439476 /nfs/dbraw/zinc/43/94/76/1132439476.db2.gz NCXJMQCUNFKYQD-UHFFFAOYSA-N 0 3 283.419 3.543 20 30 CHEDHN CCCCCCCCC[C@@H](CCC)n1[nH]c(=O)nc1CN ZINC001173284959 1132455916 /nfs/dbraw/zinc/45/59/16/1132455916.db2.gz MFZXJGAXLMYMSG-CQSZACIVSA-N 0 3 296.459 3.924 20 30 CHEDHN CCCCCCCCC[C@@H](CCC)n1[n-]c(=O)nc1C[NH3+] ZINC001173284959 1132455921 /nfs/dbraw/zinc/45/59/21/1132455921.db2.gz MFZXJGAXLMYMSG-CQSZACIVSA-N 0 3 296.459 3.924 20 30 CHEDHN CCCCCCCCC[C@H](CCC)n1[nH]c(=O)nc1CN ZINC001173284958 1132456893 /nfs/dbraw/zinc/45/68/93/1132456893.db2.gz MFZXJGAXLMYMSG-AWEZNQCLSA-N 0 3 296.459 3.924 20 30 CHEDHN CCCCCCCCC[C@H](CCC)n1[n-]c(=O)nc1C[NH3+] ZINC001173284958 1132456898 /nfs/dbraw/zinc/45/68/98/1132456898.db2.gz MFZXJGAXLMYMSG-AWEZNQCLSA-N 0 3 296.459 3.924 20 30 CHEDHN C#CCN(C)Cc1ccc2c(c1)c1ccccc1n2CC ZINC001142859685 1132463759 /nfs/dbraw/zinc/46/37/59/1132463759.db2.gz SHGLXEQKEGPHSW-UHFFFAOYSA-N 0 3 276.383 3.879 20 30 CHEDHN Cc1cc([C@H]2CCCN2C2CCC(CC#N)CC2)no1 ZINC001173332131 1132463862 /nfs/dbraw/zinc/46/38/62/1132463862.db2.gz WVYMZUQMIWRNAK-ZBCRRDGASA-N 0 3 273.380 3.592 20 30 CHEDHN C#Cc1cccc(CN[C@@H](CC(C)C)c2ccncc2)c1 ZINC000842875767 1132472802 /nfs/dbraw/zinc/47/28/02/1132472802.db2.gz OUFJHXZNDSSNMX-IBGZPJMESA-N 0 3 278.399 3.940 20 30 CHEDHN N#CCc1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000842889453 1132473698 /nfs/dbraw/zinc/47/36/98/1132473698.db2.gz YDPITAHKGRMRON-HNNXBMFYSA-N 0 3 297.789 3.578 20 30 CHEDHN N=C(N[C@@H]1CCCC2(CCCCC2)C1)c1ccc(F)cn1 ZINC001173349312 1132474099 /nfs/dbraw/zinc/47/40/99/1132474099.db2.gz QIFJNGDQSOGDJR-CQSZACIVSA-N 0 3 289.398 3.819 20 30 CHEDHN CCCCCCCCN(C)Cc1cc(C#N)ccn1 ZINC001232481127 1132478244 /nfs/dbraw/zinc/47/82/44/1132478244.db2.gz VRWWAQJUVGKVHE-UHFFFAOYSA-N 0 3 259.397 3.746 20 30 CHEDHN COc1cc(C)c(CN(C)Cc2ccc(C#N)cc2)c(C)c1 ZINC001142935049 1132484486 /nfs/dbraw/zinc/48/44/86/1132484486.db2.gz MJYVQJUQTJZSQL-UHFFFAOYSA-N 0 3 294.398 3.816 20 30 CHEDHN CCCCCCCN(CC)Cc1cc2c(cn1)OCCO2 ZINC001143065534 1132496689 /nfs/dbraw/zinc/49/66/89/1132496689.db2.gz ZVHUTPPZGTVPRJ-UHFFFAOYSA-N 0 3 292.423 3.645 20 30 CHEDHN CN(Cc1cccc(F)c1F)C1CCC(C)(C#N)CC1 ZINC001173600333 1132497944 /nfs/dbraw/zinc/49/79/44/1132497944.db2.gz AVUOWYBQIGNPLR-UHFFFAOYSA-N 0 3 278.346 3.869 20 30 CHEDHN CC1(C#N)CCC(N2CCC[C@@H]2c2nccs2)CC1 ZINC001173596940 1132498552 /nfs/dbraw/zinc/49/85/52/1132498552.db2.gz BTKAPDVZBHRNGB-JVWICGRDSA-N 0 3 275.421 3.752 20 30 CHEDHN C[C@@H](CC#N)NC1CCC2(CCc3ccccc32)CC1 ZINC001173685614 1132508371 /nfs/dbraw/zinc/50/83/71/1132508371.db2.gz XHNAPIFHEJAEHM-NXVRBGIVSA-N 0 3 268.404 3.705 20 30 CHEDHN SC1CCN(Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001232732095 1132510134 /nfs/dbraw/zinc/51/01/34/1132510134.db2.gz NJMOSQIBTGSOJA-UHFFFAOYSA-N 0 3 280.824 3.716 20 30 CHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCS[C@H]2C)c([O-])c1 ZINC000843264719 1132510554 /nfs/dbraw/zinc/51/05/54/1132510554.db2.gz RPGSMUNRHJDFBS-GKXUPHCXSA-N 0 3 292.448 3.551 20 30 CHEDHN C=CCCCCN(C)Cc1cc(Br)co1 ZINC001232855659 1132525568 /nfs/dbraw/zinc/52/55/68/1132525568.db2.gz FPXFHMLSFBPREY-UHFFFAOYSA-N 0 3 272.186 3.830 20 30 CHEDHN C#Cc1ccc(CN(Cc2ccc(C)nc2)CC2CC2)cc1 ZINC000843422370 1132531197 /nfs/dbraw/zinc/53/11/97/1132531197.db2.gz DZCJRKIBSNGUOQ-UHFFFAOYSA-N 0 3 290.410 3.784 20 30 CHEDHN Cc1cc(C#N)ccc1CN1CCCC[C@@](C)(F)C1 ZINC001233080093 1132568882 /nfs/dbraw/zinc/56/88/82/1132568882.db2.gz DBKYZXXSMDGXOZ-MRXNPFEDSA-N 0 3 260.356 3.581 20 30 CHEDHN C#CCCCNc1nc(N2CCCC2)cc2ccccc21 ZINC001155017834 1132636355 /nfs/dbraw/zinc/63/63/55/1132636355.db2.gz DSOJHXIVLQAPEH-UHFFFAOYSA-N 0 3 279.387 3.660 20 30 CHEDHN CCc1cc(C#N)ccc1Nc1ccccc1CN(C)C ZINC001173929978 1132642809 /nfs/dbraw/zinc/64/28/09/1132642809.db2.gz OTODGQBDVJIJPG-UHFFFAOYSA-N 0 3 279.387 3.926 20 30 CHEDHN CN(C)Cc1ccccc1Nc1cccc(F)c1C#N ZINC001173929979 1132643130 /nfs/dbraw/zinc/64/31/30/1132643130.db2.gz OVXDMMONNHPNKF-UHFFFAOYSA-N 0 3 269.323 3.503 20 30 CHEDHN Cc1cc(Nc2ccccc2CN(C)C)ccc1C#N ZINC001173931396 1132644527 /nfs/dbraw/zinc/64/45/27/1132644527.db2.gz GEYKTHUTSBXVMA-UHFFFAOYSA-N 0 3 265.360 3.672 20 30 CHEDHN CCCCCCCCCCN(C)c1cc(CN)ncn1 ZINC001157743358 1132740443 /nfs/dbraw/zinc/74/04/43/1132740443.db2.gz BENLXVCPTRHYEH-UHFFFAOYSA-N 0 3 278.444 3.512 20 30 CHEDHN N#Cc1cc(NC(=N)C23CC4CC(CC(C4)C2)C3)cnc1F ZINC001163848076 1133179135 /nfs/dbraw/zinc/17/91/35/1133179135.db2.gz KEICDSJTNMAUBX-UHFFFAOYSA-N 0 3 298.365 3.698 20 30 CHEDHN N#Cc1cccc(CN2CCC(c3cccs3)CC2)c1 ZINC001203760413 1133367426 /nfs/dbraw/zinc/36/74/26/1133367426.db2.gz JRCATLDSWBUEIA-UHFFFAOYSA-N 0 3 282.412 3.999 20 30 CHEDHN CCCCOc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001203969881 1133391659 /nfs/dbraw/zinc/39/16/59/1133391659.db2.gz DQVFTRLOQIALAA-INIZCTEOSA-N 0 3 286.419 3.991 20 30 CHEDHN C=CCOc1ccc(CN2CCC[C@@H](C(F)F)C2)cc1 ZINC001204299837 1133432097 /nfs/dbraw/zinc/43/20/97/1133432097.db2.gz BSGHQGMGSPXLHQ-CQSZACIVSA-N 0 3 281.346 3.729 20 30 CHEDHN CN(Cc1cn(C)c2ccccc12)Cc1ccc(C#N)cc1 ZINC001204322435 1133436398 /nfs/dbraw/zinc/43/63/98/1133436398.db2.gz UHZVFCBVJDLXTE-UHFFFAOYSA-N 0 3 289.382 3.682 20 30 CHEDHN CC(C)Oc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001204454912 1133449648 /nfs/dbraw/zinc/44/96/48/1133449648.db2.gz KSKRDIAUFXHBCT-OSYLJGHBSA-N 0 3 284.403 3.740 20 30 CHEDHN N#Cc1cc(F)cc(CN2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000163552551 1133609146 /nfs/dbraw/zinc/60/91/46/1133609146.db2.gz SMJDIZIHJATMHU-HZPDHXFCSA-N 0 3 272.367 3.709 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ncccc1C ZINC001205792868 1133614434 /nfs/dbraw/zinc/61/44/34/1133614434.db2.gz DHFJQBBMQCMJHN-UHFFFAOYSA-N 0 3 266.388 3.968 20 30 CHEDHN CC[C@H]1CCC[C@H]1CNCc1cccc(F)c1C#N ZINC001205858972 1133623573 /nfs/dbraw/zinc/62/35/73/1133623573.db2.gz FZSRHRBKONNKRF-STQMWFEESA-N 0 3 260.356 3.613 20 30 CHEDHN Cc1ncsc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001206991814 1133758923 /nfs/dbraw/zinc/75/89/23/1133758923.db2.gz PDIRWSOMQMCYBT-UHFFFAOYSA-N 0 3 296.439 3.715 20 30 CHEDHN C=CCN(Cc1cnc(C)s1)C1CCCCC1 ZINC001207063052 1133764229 /nfs/dbraw/zinc/76/42/29/1133764229.db2.gz QVCWGHDRIGIAIM-UHFFFAOYSA-N 0 3 250.411 3.772 20 30 CHEDHN N#Cc1ccc2c(c1)CN(CCCC1CCCC1)CC2 ZINC001208087524 1133875107 /nfs/dbraw/zinc/87/51/07/1133875107.db2.gz ONMZZMKDDBGRGW-UHFFFAOYSA-N 0 3 268.404 3.887 20 30 CHEDHN C=C(C)[C@@H]1CC=C(CN2CCC[C@H]2c2cnccn2)CC1 ZINC001208176142 1133897402 /nfs/dbraw/zinc/89/74/02/1133897402.db2.gz BDBFXTXHQBAZHN-AEFFLSMTSA-N 0 3 283.419 3.916 20 30 CHEDHN N#Cc1cccc(CCCN2CCc3cc(F)ccc3C2)c1 ZINC001208851327 1133952452 /nfs/dbraw/zinc/95/24/52/1133952452.db2.gz WQRJMHWZHOKFGF-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN N#Cc1ccc(CCCN2CCc3c(F)cccc3C2)cc1 ZINC001208862681 1133954367 /nfs/dbraw/zinc/95/43/67/1133954367.db2.gz NTEFMMMUZHRHEQ-UHFFFAOYSA-N 0 3 294.373 3.688 20 30 CHEDHN CCCN(CCC#N)CCCCCCCCCC(=O)OC ZINC001209094124 1133973678 /nfs/dbraw/zinc/97/36/78/1133973678.db2.gz IDMPPFJMCZYYAR-UHFFFAOYSA-N 0 3 296.455 3.906 20 30 CHEDHN C=CCN1CCN(CCCCCC/C=C\CC)CC1 ZINC001209286015 1134002183 /nfs/dbraw/zinc/00/21/83/1134002183.db2.gz SGHNROIKUIYNSE-WAYWQWQTSA-N 0 3 264.457 3.707 20 30 CHEDHN CCCCN(CCC#N)CCCCCCC(=O)OCC ZINC001209347890 1134005877 /nfs/dbraw/zinc/00/58/77/1134005877.db2.gz FNQVLESAYDGOPS-UHFFFAOYSA-N 0 3 282.428 3.516 20 30 CHEDHN C=CCCCCCN1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001209422981 1134015467 /nfs/dbraw/zinc/01/54/67/1134015467.db2.gz BRTXBQZMXMFCSY-AWEZNQCLSA-N 0 3 283.412 3.759 20 30 CHEDHN C=CCCCCCN1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001209422982 1134015812 /nfs/dbraw/zinc/01/58/12/1134015812.db2.gz BRTXBQZMXMFCSY-CQSZACIVSA-N 0 3 283.412 3.759 20 30 CHEDHN C=CCCCCCCCN1CCOC[C@@H]1C1CC1 ZINC001209441305 1134021631 /nfs/dbraw/zinc/02/16/31/1134021631.db2.gz GZVPOFPLKDWMOV-MRXNPFEDSA-N 0 3 251.414 3.624 20 30 CHEDHN CCCCCCCN(C)Cc1cc2c(cn1)OCCC2 ZINC001209501806 1134029128 /nfs/dbraw/zinc/02/91/28/1134029128.db2.gz DADMIFYGYZKSOG-UHFFFAOYSA-N 0 3 276.424 3.809 20 30 CHEDHN CCCCCCCN(C)Cc1cnc(OC)c(OC)c1 ZINC001209617065 1134043387 /nfs/dbraw/zinc/04/33/87/1134043387.db2.gz VWTCJZURAWXJTF-UHFFFAOYSA-N 0 3 280.412 3.501 20 30 CHEDHN C=CCCN(Cc1ccccc1)Cc1ccnc(OC)c1 ZINC001209641818 1134045067 /nfs/dbraw/zinc/04/50/67/1134045067.db2.gz JZUZSJDWJPVZAR-UHFFFAOYSA-N 0 3 282.387 3.669 20 30 CHEDHN CNc1ccc(C#N)cc1Nc1ccc2nc(C)[nH]c2c1 ZINC001213075497 1134423620 /nfs/dbraw/zinc/42/36/20/1134423620.db2.gz UONHCIZCPWTETL-UHFFFAOYSA-N 0 3 277.331 3.528 20 30 CHEDHN Cc1ccc(Nc2ccc3c(c2)CN(C)CC3)cc1C#N ZINC001216076895 1134768461 /nfs/dbraw/zinc/76/84/61/1134768461.db2.gz MYWXDHDMAFQQIR-UHFFFAOYSA-N 0 3 277.371 3.598 20 30 CHEDHN C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2cccc3c2CNC3)O1 ZINC001218296414 1135081051 /nfs/dbraw/zinc/08/10/51/1135081051.db2.gz KLGSLFBFVOWGAN-WMZOPIPTSA-N 0 3 287.403 3.571 20 30 CHEDHN CC(=O)/C=C\c1ccc(O[C@H]2CNCc3ccccc32)cc1 ZINC001218485736 1135113508 /nfs/dbraw/zinc/11/35/08/1135113508.db2.gz FAALDYUAFXVIRT-RURPWVQCSA-N 0 3 293.366 3.512 20 30 CHEDHN C=CCc1ccc(O[C@@H]2CNCc3ccccc32)cc1 ZINC001218487871 1135114833 /nfs/dbraw/zinc/11/48/33/1135114833.db2.gz IQQCDAGVSDOKAM-GOSISDBHSA-N 0 3 265.356 3.638 20 30 CHEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(F)ccc1C ZINC001218809484 1135119682 /nfs/dbraw/zinc/11/96/82/1135119682.db2.gz OMUPOHHNVZSENS-AWEZNQCLSA-N 0 3 278.371 3.536 20 30 CHEDHN C=C(CC)CNCc1cccc(Br)c1F ZINC000313491883 1135138425 /nfs/dbraw/zinc/13/84/25/1135138425.db2.gz BKDFNTVXMACBFB-UHFFFAOYSA-N 0 3 272.161 3.644 20 30 CHEDHN C[C@H](Cc1ccsc1)N(C)CC#Cc1ccccc1 ZINC000192055629 1135144020 /nfs/dbraw/zinc/14/40/20/1135144020.db2.gz RIVXWZABOBHJFH-OAHLLOKOSA-N 0 3 269.413 3.663 20 30 CHEDHN Cc1cc(C#N)cc(C)c1-c1ccc(CN(C)C2CC2)cn1 ZINC001222642445 1135258940 /nfs/dbraw/zinc/25/89/40/1135258940.db2.gz GPNMLNXBCMWWKE-UHFFFAOYSA-N 0 3 291.398 3.831 20 30 CHEDHN C=CCCCCO[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224335084 1135441081 /nfs/dbraw/zinc/44/10/81/1135441081.db2.gz KXKKKXNLIJSFSE-IAGOWNOFSA-N 0 3 288.435 3.980 20 30 CHEDHN C=CCCCCO[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224335086 1135441108 /nfs/dbraw/zinc/44/11/08/1135441108.db2.gz KXKKKXNLIJSFSE-SJORKVTESA-N 0 3 288.435 3.980 20 30 CHEDHN C=CCCCCCO[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001224427948 1135447556 /nfs/dbraw/zinc/44/75/56/1135447556.db2.gz NNVBSDAOEKOEAH-DLBZAZTESA-N 0 3 288.435 3.980 20 30 CHEDHN C=CCCCO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224510412 1135455639 /nfs/dbraw/zinc/45/56/39/1135455639.db2.gz ZZUBFBKUGRTTPS-JKSUJKDBSA-N 0 3 274.408 3.590 20 30 CHEDHN Cc1ccc([C@H](NCCCC#N)c2ccccc2)cc1 ZINC000096980242 185145358 /nfs/dbraw/zinc/14/53/58/185145358.db2.gz QXMJPWXRXMOANS-GOSISDBHSA-N 0 3 264.372 3.978 20 30 CHEDHN CCc1ccc([C@H]2CCCN(CCCC#N)C2)cc1 ZINC000353265410 529726934 /nfs/dbraw/zinc/72/69/34/529726934.db2.gz IYPAVGLYWCBDBN-KRWDZBQOSA-N 0 3 256.393 3.732 20 30 CHEDHN CCCCCCCNCc1ccccc1[N+](=O)[O-] ZINC000105551011 186063128 /nfs/dbraw/zinc/06/31/28/186063128.db2.gz QHRQDRRDXTUNOB-UHFFFAOYSA-N 0 3 250.342 3.655 20 30 CHEDHN COc1ccccc1[C@H]1CC[C@@H](C)CN1CCCC#N ZINC000352250293 533026536 /nfs/dbraw/zinc/02/65/36/533026536.db2.gz GAOQRAMZGDCCNR-GDBMZVCRSA-N 0 3 272.392 3.772 20 30 CHEDHN COc1cc(C#N)ccc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000347260519 533497225 /nfs/dbraw/zinc/49/72/25/533497225.db2.gz NKOHQVKCYZWGHW-LJQANCHMSA-N 0 3 296.414 3.889 20 30 CHEDHN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1ccc(C#N)cc1 ZINC000344321703 533514270 /nfs/dbraw/zinc/51/42/70/533514270.db2.gz JPNRRXMXNXJUPH-FZKQIMNGSA-N 0 3 277.371 3.755 20 30 CHEDHN CCN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000020307180 171142786 /nfs/dbraw/zinc/14/27/86/171142786.db2.gz KCEPRVXOQUXATI-UHFFFAOYSA-N 0 3 250.345 3.580 20 30 CHEDHN Cc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000037214518 260074894 /nfs/dbraw/zinc/07/48/94/260074894.db2.gz AGYFSOWOASZNEP-HNNXBMFYSA-N 0 3 280.371 3.748 20 30 CHEDHN C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(C#N)s1 ZINC000334831764 225325961 /nfs/dbraw/zinc/32/59/61/225325961.db2.gz RQKNMOCMAGZINH-QFYYESIMSA-N 0 3 286.375 3.782 20 30 CHEDHN CC(C#N)C(=O)NCc1ccccc1Sc1ccccc1 ZINC000347121250 226034503 /nfs/dbraw/zinc/03/45/03/226034503.db2.gz ZAHXYIWOQRKJJS-CYBMUJFWSA-N 0 3 296.395 3.614 20 30 CHEDHN N#C[C@@H]1CC[C@@H](NCc2csc3ccccc23)C1 ZINC000336611814 227180382 /nfs/dbraw/zinc/18/03/82/227180382.db2.gz UFIBELWEVNYEHJ-DGCLKSJQSA-N 0 3 256.374 3.683 20 30 CHEDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCCC#N ZINC000352250296 228206731 /nfs/dbraw/zinc/20/67/31/228206731.db2.gz GAOQRAMZGDCCNR-ZBFHGGJFSA-N 0 3 272.392 3.772 20 30 CHEDHN C=CCCCCNCc1cc(O)ccc1Br ZINC000309488276 260171333 /nfs/dbraw/zinc/17/13/33/260171333.db2.gz HLQFZJHLYNDMMS-UHFFFAOYSA-N 0 3 284.197 3.601 20 30 CHEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1Cl ZINC000086585524 260208897 /nfs/dbraw/zinc/20/88/97/260208897.db2.gz DWBCOLBFVGYIJW-UHFFFAOYSA-N 0 3 286.762 3.510 20 30 CHEDHN CCC1(C)CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833386 260219593 /nfs/dbraw/zinc/21/95/93/260219593.db2.gz UQTQIVHZJLMHHR-UHFFFAOYSA-N 0 3 272.392 3.579 20 30 CHEDHN COc1cccc2c1CC[C@H]2NCc1ccc(CC#N)cc1 ZINC000517934825 260321415 /nfs/dbraw/zinc/32/14/15/260321415.db2.gz DDLLFWZDUUJOAB-GOSISDBHSA-N 0 3 292.382 3.538 20 30 CHEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000426998785 260548491 /nfs/dbraw/zinc/54/84/91/260548491.db2.gz HTDRGDNZTYKZGD-UHFFFAOYSA-N 0 3 281.321 3.931 20 30 CHEDHN CC(C)N(CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000426448825 260781493 /nfs/dbraw/zinc/78/14/93/260781493.db2.gz GVVPDDRNDLGLLU-UHFFFAOYSA-N 0 3 261.796 3.954 20 30 CHEDHN COc1ccccc1[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC000157913059 261155323 /nfs/dbraw/zinc/15/53/23/261155323.db2.gz OVBSNFXGJHRIDL-KRWDZBQOSA-N 0 3 292.382 3.556 20 30 CHEDHN N#CCCCCNCc1cccc(Cl)c1Cl ZINC000163863038 261332722 /nfs/dbraw/zinc/33/27/22/261332722.db2.gz JEDKMGOYTFERGF-UHFFFAOYSA-N 0 3 257.164 3.777 20 30 CHEDHN CC(C)COC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186697940 262105575 /nfs/dbraw/zinc/10/55/75/262105575.db2.gz WBUZIGUJWORQGP-OAHLLOKOSA-N 0 3 286.419 3.756 20 30 CHEDHN C=C(C)CN(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000497263989 262127940 /nfs/dbraw/zinc/12/79/40/262127940.db2.gz VJOCSJOJFXVUJD-UHFFFAOYSA-N 0 3 261.262 3.852 20 30 CHEDHN CC(C)OC1CC(N[C@@H](CCC#N)c2ccccc2)C1 ZINC000189551201 262173123 /nfs/dbraw/zinc/17/31/23/262173123.db2.gz FDGZUIGKPHWTGO-JCYILVPMSA-N 0 3 272.392 3.577 20 30 CHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000192623183 262206784 /nfs/dbraw/zinc/20/67/84/262206784.db2.gz QAFMPXGXIVULGT-JSGCOSHPSA-N 0 3 282.309 3.877 20 30 CHEDHN COC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000194255036 262235245 /nfs/dbraw/zinc/23/52/45/262235245.db2.gz MPYOABQGSQPGLO-VBNZEHGJSA-N 0 3 292.810 3.699 20 30 CHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(C)c2)cc1F ZINC000488164140 262292114 /nfs/dbraw/zinc/29/21/14/262292114.db2.gz KBSPHBIOEILQKB-CYBMUJFWSA-N 0 3 298.361 3.865 20 30 CHEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000186716715 262320351 /nfs/dbraw/zinc/32/03/51/262320351.db2.gz CAAUBBYWCJJHIF-ONGXEEELSA-N 0 3 274.191 3.581 20 30 CHEDHN C=CC[C@@H](CO)N[C@H](C)c1cccc(Cl)c1Cl ZINC000186706953 262321366 /nfs/dbraw/zinc/32/13/66/262321366.db2.gz UMCMPZHQTFVHKC-ZJUUUORDSA-N 0 3 274.191 3.581 20 30 CHEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000411439867 262693944 /nfs/dbraw/zinc/69/39/44/262693944.db2.gz AIBHGWYNBZTOFC-WDEREUQCSA-N 0 3 286.297 3.928 20 30 CHEDHN CC[C@H](NCCC(C)(C)C#N)c1cc(F)ccc1F ZINC000272045467 263001844 /nfs/dbraw/zinc/00/18/44/263001844.db2.gz SBWMJVFLLFTAQO-AWEZNQCLSA-N 0 3 266.335 3.945 20 30 CHEDHN N#CCCCN[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000273162423 263013477 /nfs/dbraw/zinc/01/34/77/263013477.db2.gz ACEMOCVEOGUWSE-CQSZACIVSA-N 0 3 293.208 3.794 20 30 CHEDHN C[C@@H](NCCCC#N)c1cc(Cl)c(N)c(Cl)c1 ZINC000273275773 263014559 /nfs/dbraw/zinc/01/45/59/263014559.db2.gz PHRYSMKBNNCSSP-MRVPVSSYSA-N 0 3 272.179 3.530 20 30 CHEDHN C[C@@H](c1ccccn1)N(C)CCCCC(C)(C)C#N ZINC000277576626 263041984 /nfs/dbraw/zinc/04/19/84/263041984.db2.gz BUQKXCZAORVGHZ-AWEZNQCLSA-N 0 3 259.397 3.794 20 30 CHEDHN N#CCCCCNCc1c(F)cccc1OC(F)(F)F ZINC000284050377 263085525 /nfs/dbraw/zinc/08/55/25/263085525.db2.gz SHXJZGFIUMYJHS-UHFFFAOYSA-N 0 3 290.260 3.508 20 30 CHEDHN C=CCN(Cc1cccc(C#N)c1)CC1(C)CCC1 ZINC000340292291 263105407 /nfs/dbraw/zinc/10/54/07/263105407.db2.gz TVODNWNAMAAURU-UHFFFAOYSA-N 0 3 254.377 3.736 20 30 CHEDHN C/C(=C\c1ccccc1OC(F)F)CNCCCC#N ZINC000289400422 263109960 /nfs/dbraw/zinc/10/99/60/263109960.db2.gz AEGHELRKVAJFOU-ZRDIBKRKSA-N 0 3 280.318 3.585 20 30 CHEDHN C=CCC[C@@H](N[C@@H]1CCCSC1)c1ccco1 ZINC000353519936 263111025 /nfs/dbraw/zinc/11/10/25/263111025.db2.gz NYHYWLGXLCCJJU-CHWSQXEVSA-N 0 3 251.395 3.772 20 30 CHEDHN Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCCC#N ZINC000290478809 263116960 /nfs/dbraw/zinc/11/69/60/263116960.db2.gz XHGVSBJGAUWTFK-INIZCTEOSA-N 0 3 267.376 3.747 20 30 CHEDHN Cc1ccncc1CCCN[C@@H](CCC#N)c1ccccc1 ZINC000290509333 263117224 /nfs/dbraw/zinc/11/72/24/263117224.db2.gz WXLUHYPYEUOWGN-IBGZPJMESA-N 0 3 293.414 3.957 20 30 CHEDHN C[C@@H](NCCCC#N)c1ccc(F)c2ccccc21 ZINC000340361221 263119175 /nfs/dbraw/zinc/11/91/75/263119175.db2.gz NBFTWIPKJATESJ-GFCCVEGCSA-N 0 3 256.324 3.933 20 30 CHEDHN COc1cccc(C=C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000292735807 263134622 /nfs/dbraw/zinc/13/46/22/263134622.db2.gz GYRBOBBVBYTMSZ-MSOLQXFVSA-N 0 3 296.414 3.867 20 30 CHEDHN CN(Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293374678 263139539 /nfs/dbraw/zinc/13/95/39/263139539.db2.gz FXZYBORXHNSNDF-BXUZGUMPSA-N 0 3 293.208 3.573 20 30 CHEDHN CC(F)(F)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000293841686 263150970 /nfs/dbraw/zinc/15/09/70/263150970.db2.gz XUHXRUJMCWRMLB-DZGCQCFKSA-N 0 3 278.346 3.970 20 30 CHEDHN Cc1nn(C)cc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340450561 263155129 /nfs/dbraw/zinc/15/51/29/263155129.db2.gz NIXGNQPHIMGUNW-KSSFIOAISA-N 0 3 296.418 3.814 20 30 CHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(C2CC2)c1 ZINC000294457661 263162301 /nfs/dbraw/zinc/16/23/01/263162301.db2.gz WAQOKMXEYYBBPB-OGHNNQOOSA-N 0 3 254.377 3.907 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2ccnc(Cl)c2Cl)C1 ZINC000295014167 263170856 /nfs/dbraw/zinc/17/08/56/263170856.db2.gz JRQLBZJKOOEALH-ONGXEEELSA-N 0 3 284.190 3.560 20 30 CHEDHN C=C[C@H](CO)N[C@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000353569203 263172309 /nfs/dbraw/zinc/17/23/09/263172309.db2.gz KNCOFXKTWLJLPE-BXUZGUMPSA-N 0 3 288.218 3.971 20 30 CHEDHN CC(C)(C#N)c1ccccc1CN1CCC(CF)CC1 ZINC000295189474 263173951 /nfs/dbraw/zinc/17/39/51/263173951.db2.gz SWHDRCRGEGCIDB-UHFFFAOYSA-N 0 3 274.383 3.669 20 30 CHEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000298739059 263225191 /nfs/dbraw/zinc/22/51/91/263225191.db2.gz BVEDWIAXNXICAC-HUUCEWRRSA-N 0 3 271.408 3.630 20 30 CHEDHN N#CCCCNC1(c2ccc(Br)cc2)CCC1 ZINC000299195372 263235066 /nfs/dbraw/zinc/23/50/66/263235066.db2.gz MVRONPJPPBPUAE-UHFFFAOYSA-N 0 3 293.208 3.722 20 30 CHEDHN CCCN(CCCC#N)[C@@H](C)c1ccccc1OC ZINC000299405957 263241592 /nfs/dbraw/zinc/24/15/92/263241592.db2.gz NIJRYDZYFDTFKL-AWEZNQCLSA-N 0 3 260.381 3.772 20 30 CHEDHN C=CC[C@@H](CC)NCc1nc2ccc(OC)cc2s1 ZINC000341431742 263337813 /nfs/dbraw/zinc/33/78/13/263337813.db2.gz HITPELWVWXSYQW-LLVKDONJSA-N 0 3 276.405 3.749 20 30 CHEDHN C=C(C)COCCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341891767 263362526 /nfs/dbraw/zinc/36/25/26/263362526.db2.gz VYMATBULXNJTKW-OAHLLOKOSA-N 0 3 295.810 3.736 20 30 CHEDHN C=CC[C@@H](CO)CN[C@@H](CC)c1cc(Cl)ccc1OC ZINC000341878276 263362561 /nfs/dbraw/zinc/36/25/61/263362561.db2.gz MUZHVGXCHBIPPM-DOMZBBRYSA-N 0 3 297.826 3.574 20 30 CHEDHN C=C1CCN(Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000341995648 263373734 /nfs/dbraw/zinc/37/37/34/263373734.db2.gz PWYWBZVMULLMKW-UHFFFAOYSA-N 0 3 281.403 3.641 20 30 CHEDHN COCc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425365565 264211408 /nfs/dbraw/zinc/21/14/08/264211408.db2.gz LTFQQYYRSCYQMF-OAHLLOKOSA-N 0 3 294.398 3.898 20 30 CHEDHN C=CC[C@H](C)[C@@H](C)NCC(=O)Nc1ccc(C)cc1Cl ZINC000425367977 264212880 /nfs/dbraw/zinc/21/28/80/264212880.db2.gz JFGMBOACMKXQAP-QWHCGFSZSA-N 0 3 294.826 3.777 20 30 CHEDHN N#CCCN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000426003177 264300535 /nfs/dbraw/zinc/30/05/35/264300535.db2.gz REYNAPHRILOYMK-KGLIPLIRSA-N 0 3 282.309 3.845 20 30 CHEDHN C=C(C)CN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189802264 264326268 /nfs/dbraw/zinc/32/62/68/264326268.db2.gz VHVZCJUGCNQQHR-UHFFFAOYSA-N 0 3 270.376 3.892 20 30 CHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000076737198 264343683 /nfs/dbraw/zinc/34/36/83/264343683.db2.gz UCJSSLYZFRFFPB-OAHLLOKOSA-N 0 3 274.408 3.528 20 30 CHEDHN C=C[C@H]1CCCCN1Cc1ccc(-c2ccccn2)nc1 ZINC000425478783 264348332 /nfs/dbraw/zinc/34/83/32/264348332.db2.gz NPPVKPVAJSWJAX-INIZCTEOSA-N 0 3 279.387 3.684 20 30 CHEDHN N#C[C@H]1CC[C@H](NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000349846482 265210694 /nfs/dbraw/zinc/21/06/94/265210694.db2.gz BRJQYLKTXZIKDJ-CABZTGNLSA-N 0 3 286.272 3.626 20 30 CHEDHN C=CCCC[C@@H](C)N1CCN(c2cccs2)CC1 ZINC000519013003 265297312 /nfs/dbraw/zinc/29/73/12/265297312.db2.gz IRNVRJPIPXUNCP-CQSZACIVSA-N 0 3 264.438 3.615 20 30 CHEDHN Cc1cc(CN(C)Cc2ccc(F)cc2)ccc1C#N ZINC000362954279 267066287 /nfs/dbraw/zinc/06/62/87/267066287.db2.gz IVPBXLBCFYIFCQ-UHFFFAOYSA-N 0 3 268.335 3.638 20 30 CHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(C2CC2)cc1 ZINC000418114017 267078900 /nfs/dbraw/zinc/07/89/00/267078900.db2.gz KNHGRVONCBTTJO-ZDUSSCGKSA-N 0 3 279.387 3.625 20 30 CHEDHN C[C@@H](NC[C@@H]1OCCc2ccccc21)c1cccc(C#N)c1 ZINC000367748737 267114591 /nfs/dbraw/zinc/11/45/91/267114591.db2.gz JUNUTDZXXCHNOO-KUHUBIRLSA-N 0 3 292.382 3.523 20 30 CHEDHN C#Cc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000368030954 267138807 /nfs/dbraw/zinc/13/88/07/267138807.db2.gz QSVWEFIDVYVBQL-PMACEKPBSA-N 0 3 291.394 3.535 20 30 CHEDHN C[C@H](c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000118390150 267251713 /nfs/dbraw/zinc/25/17/13/267251713.db2.gz LCRZLHXNVSNYOE-CQSZACIVSA-N 0 3 262.356 3.678 20 30 CHEDHN C=CC[C@H](C)[C@H](C)N[C@H](c1cnn(C)c1)c1ccccc1 ZINC000369911980 267275967 /nfs/dbraw/zinc/27/59/67/267275967.db2.gz YXSZWLZSUJBPSM-MPGHIAIKSA-N 0 3 283.419 3.700 20 30 CHEDHN N#CCC1(CN[C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000370210770 267299429 /nfs/dbraw/zinc/29/94/29/267299429.db2.gz SPVMJLFXKOZQNR-AWEZNQCLSA-N 0 3 290.794 3.837 20 30 CHEDHN N#CC1(CNC2CCC(c3ccccc3)CC2)CCC1 ZINC000418144939 267366195 /nfs/dbraw/zinc/36/61/95/267366195.db2.gz VXQPUGRTTYCKSX-UHFFFAOYSA-N 0 3 268.404 3.996 20 30 CHEDHN N#CC1(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)CCC1 ZINC000418144979 267366590 /nfs/dbraw/zinc/36/65/90/267366590.db2.gz WDTSUODHMQSRMN-IRXDYDNUSA-N 0 3 268.404 3.681 20 30 CHEDHN Cc1cccc(CC[C@H](C)NCC2(C#N)CCC2)c1 ZINC000418135368 267367523 /nfs/dbraw/zinc/36/75/23/267367523.db2.gz ANRRUEAOWDQUKL-HNNXBMFYSA-N 0 3 256.393 3.600 20 30 CHEDHN C=C(C)COCCN[C@H](C)c1cccc(C2CC2)c1 ZINC000580174926 327720600 /nfs/dbraw/zinc/72/06/00/327720600.db2.gz WIQWDOTWHGGTHR-CQSZACIVSA-N 0 3 259.393 3.807 20 30 CHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1F ZINC000185869691 327848632 /nfs/dbraw/zinc/84/86/32/327848632.db2.gz UVRWYOKYAXENCF-SDDRHHMPSA-N 0 3 264.319 3.698 20 30 CHEDHN CCC(CC)CN(CC)Cc1ccc(C#N)cc1F ZINC000048335127 328053075 /nfs/dbraw/zinc/05/30/75/328053075.db2.gz BGALIBPCBVJLNZ-UHFFFAOYSA-N 0 3 262.372 3.955 20 30 CHEDHN C=CCC[C@H](NCCOc1ccc(C#N)cc1)c1ccco1 ZINC000563639997 328079586 /nfs/dbraw/zinc/07/95/86/328079586.db2.gz CGNDSEPRYBTBFY-KRWDZBQOSA-N 0 3 296.370 3.827 20 30 CHEDHN N#CCCC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000571405445 328119821 /nfs/dbraw/zinc/11/98/21/328119821.db2.gz YGILMSLRXJICJV-DAXSKMNVSA-N 0 3 299.374 3.624 20 30 CHEDHN Cc1cc(C)cc([C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000266483807 328169536 /nfs/dbraw/zinc/16/95/36/328169536.db2.gz UHJVUKBHJFTQJF-BEFAXECRSA-N 0 3 294.398 3.559 20 30 CHEDHN CN(C)Cc1ccc(NC2CCC(C)(C#N)CC2)c(F)c1 ZINC000414496248 328188310 /nfs/dbraw/zinc/18/83/10/328188310.db2.gz IGTTYIKFLDXFQN-UHFFFAOYSA-N 0 3 289.398 3.772 20 30 CHEDHN Cn1cc(CNC(C)(C)c2ccc(Cl)cc2)cc1C#N ZINC000276939663 328220518 /nfs/dbraw/zinc/22/05/18/328220518.db2.gz GLDXNSZHDCUGQH-UHFFFAOYSA-N 0 3 287.794 3.575 20 30 CHEDHN CCN(CCCC#N)Cc1ccc2ccccc2c1 ZINC000353451701 328239219 /nfs/dbraw/zinc/23/92/19/328239219.db2.gz WZAJXNTXHBDLAO-UHFFFAOYSA-N 0 3 252.361 3.965 20 30 CHEDHN CSC[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000292426314 328270354 /nfs/dbraw/zinc/27/03/54/328270354.db2.gz NEAHUUMHRNKTJE-ZFWWWQNUSA-N 0 3 274.433 3.694 20 30 CHEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(F)cc2Cl)C1 ZINC000294994426 328283976 /nfs/dbraw/zinc/28/39/76/328283976.db2.gz HVKDXOGVZPSDAN-GWCFXTLKSA-N 0 3 266.747 3.651 20 30 CHEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1cc(F)ccc1F ZINC000296286246 328289994 /nfs/dbraw/zinc/28/99/94/328289994.db2.gz FEXZDFRFKPUDRM-MDZLAQPJSA-N 0 3 264.319 3.698 20 30 CHEDHN CCC1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000049120801 328340150 /nfs/dbraw/zinc/34/01/50/328340150.db2.gz MOGGZDMPMGAPPT-UHFFFAOYSA-N 0 3 260.356 3.756 20 30 CHEDHN C#Cc1ccc(CN[C@@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000292743814 328539356 /nfs/dbraw/zinc/53/93/56/328539356.db2.gz HROJWADSWKZWLM-SCLBCKFNSA-N 0 3 297.423 3.522 20 30 CHEDHN C=CC[C@@H](C)NCc1cc(Br)ccc1OC ZINC000116927306 330361618 /nfs/dbraw/zinc/36/16/18/330361618.db2.gz HJJKZGAKSRHDNL-SNVBAGLBSA-N 0 3 284.197 3.512 20 30 CHEDHN C=CCCCC[C@H](C)NCc1cccc2c1OCO2 ZINC000557413549 327004536 /nfs/dbraw/zinc/00/45/36/327004536.db2.gz SPICSDXDQDYAGN-ZDUSSCGKSA-N 0 3 261.365 3.640 20 30 CHEDHN C=CCOc1ccc(CN[C@@H](C)CC(F)(F)F)cc1 ZINC000231751151 327010626 /nfs/dbraw/zinc/01/06/26/327010626.db2.gz DANPPGQYGOLZRF-NSHDSACASA-N 0 3 273.298 3.682 20 30 CHEDHN CC(C)(C#N)CCN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000558116441 327074758 /nfs/dbraw/zinc/07/47/58/327074758.db2.gz ISQIKJLFYDFYGK-CABCVRRESA-N 0 3 292.810 3.699 20 30 CHEDHN CC[C@H]1CC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000558256653 327083275 /nfs/dbraw/zinc/08/32/75/327083275.db2.gz UYOMXRFRSLFYSO-DZGCQCFKSA-N 0 3 281.321 3.835 20 30 CHEDHN CC[C@@H]1CC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000558256659 327083297 /nfs/dbraw/zinc/08/32/97/327083297.db2.gz UYOMXRFRSLFYSO-UKRRQHHQSA-N 0 3 281.321 3.835 20 30 CHEDHN C[C@@H]1CCCC[C@H]1OCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000558503775 327099450 /nfs/dbraw/zinc/09/94/50/327099450.db2.gz CFMFZGKENOTLSV-NIKGAXFTSA-N 0 3 298.430 3.730 20 30 CHEDHN CCO[C@@H]1C[C@@H](NCc2ccccc2C#N)C12CCCCC2 ZINC000559326833 327160037 /nfs/dbraw/zinc/16/00/37/327160037.db2.gz CSDQAUFHALKNNI-QZTJIDSGSA-N 0 3 298.430 3.776 20 30 CHEDHN C=C(C)COc1cc(CN[C@@H]2CCC[C@@H]2F)ccc1OC ZINC000559358867 327194821 /nfs/dbraw/zinc/19/48/21/327194821.db2.gz LRCBUKMIZRQKDY-LSDHHAIUSA-N 0 3 293.382 3.630 20 30 CHEDHN C[C@@H]1CCC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000042373858 327237434 /nfs/dbraw/zinc/23/74/34/327237434.db2.gz FEPVLBIXXYFELB-DOMZBBRYSA-N 0 3 260.356 3.708 20 30 CHEDHN C=CCC[C@H](NC[C@H]1Cc2ccccc2O1)c1ccco1 ZINC000560544870 327322395 /nfs/dbraw/zinc/32/23/95/327322395.db2.gz KAKHCJUMCHAETD-CVEARBPZSA-N 0 3 283.371 3.880 20 30 CHEDHN CC1(C)CC[C@@H](CNC[C@H](C#N)CCC#N)c2ccccc21 ZINC000560597560 327329932 /nfs/dbraw/zinc/32/99/32/327329932.db2.gz IHUUNSMGOSPIHK-HOTGVXAUSA-N 0 3 295.430 3.875 20 30 CHEDHN C=C(C)[C@H](NCCc1ccncc1)c1ccc(F)c(F)c1 ZINC000562037969 327441571 /nfs/dbraw/zinc/44/15/71/327441571.db2.gz GKXZRKVOWHASDQ-KRWDZBQOSA-N 0 3 288.341 3.809 20 30 CHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3c1cccc3F)CC2 ZINC000562080346 327447623 /nfs/dbraw/zinc/44/76/23/327447623.db2.gz ACYSUTXZRGGDIH-RTBURBONSA-N 0 3 292.357 3.962 20 30 CHEDHN CCC[C@@H](CCc1ccccc1)NCc1nc(C#N)cs1 ZINC000569860540 327552990 /nfs/dbraw/zinc/55/29/90/327552990.db2.gz CQWFOXHYLUWHHR-HNNXBMFYSA-N 0 3 299.443 3.906 20 30 CHEDHN C[C@H](Nc1ccc(F)cc1C#N)[C@H](c1ccccc1)N(C)C ZINC000570671924 327609800 /nfs/dbraw/zinc/60/98/00/327609800.db2.gz BHHPSQMMWKRJEP-SCLBCKFNSA-N 0 3 297.377 3.801 20 30 CHEDHN C[C@@H](Nc1ccc(F)cc1C#N)[C@H](c1ccccc1)N(C)C ZINC000570671923 327609808 /nfs/dbraw/zinc/60/98/08/327609808.db2.gz BHHPSQMMWKRJEP-FZKQIMNGSA-N 0 3 297.377 3.801 20 30 CHEDHN C=C(C)COCCNCc1c(C)cc(Cl)cc1C ZINC000536049937 328654032 /nfs/dbraw/zinc/65/40/32/328654032.db2.gz MHELWDJWKNLDCN-UHFFFAOYSA-N 0 3 267.800 3.639 20 30 CHEDHN C=CCN(CCc1scnc1C)Cc1cccs1 ZINC000172071261 329081061 /nfs/dbraw/zinc/08/10/61/329081061.db2.gz FXQHWUCHYIQYTM-UHFFFAOYSA-N 0 3 278.446 3.744 20 30 CHEDHN C=CCCCNC1(c2nc(C)cs2)CCCC1 ZINC000177172117 329180474 /nfs/dbraw/zinc/18/04/74/329180474.db2.gz HJPCLNNQCPINFY-UHFFFAOYSA-N 0 3 250.411 3.777 20 30 CHEDHN C[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 ZINC000224399224 329243331 /nfs/dbraw/zinc/24/33/31/329243331.db2.gz SUMWSWMTGMJKIL-ZJUUUORDSA-N 0 3 256.271 3.550 20 30 CHEDHN Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)c(C)c2)n1 ZINC000582898034 329282569 /nfs/dbraw/zinc/28/25/69/329282569.db2.gz JHLXKVCDIQRMPC-LJQANCHMSA-N 0 3 291.398 3.907 20 30 CHEDHN CCCC(=O)Nc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185781370 329331901 /nfs/dbraw/zinc/33/19/01/329331901.db2.gz MKNJVZWFNXXBJN-RDJZCZTQSA-N 0 3 299.418 3.597 20 30 CHEDHN C=C(C)CC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459574922 329337010 /nfs/dbraw/zinc/33/70/10/329337010.db2.gz JSDACYOZUAJCAJ-UHFFFAOYSA-N 0 3 269.772 3.500 20 30 CHEDHN N#CCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000397304262 329349160 /nfs/dbraw/zinc/34/91/60/329349160.db2.gz QFKYGSCVJHNVMM-UHFFFAOYSA-N 0 3 282.309 3.831 20 30 CHEDHN CC(C)C1(NCc2ccc(Br)cc2C#N)CC1 ZINC000379441359 329556824 /nfs/dbraw/zinc/55/68/24/329556824.db2.gz XPGAPKKCIBZQAK-UHFFFAOYSA-N 0 3 293.208 3.599 20 30 CHEDHN C=C(C)[C@H](NC[C@H](CC)OC)c1ccc(F)c(F)c1 ZINC000419283830 329717577 /nfs/dbraw/zinc/71/75/77/329717577.db2.gz ZPEYHUVRWDJAAJ-WFASDCNBSA-N 0 3 269.335 3.597 20 30 CHEDHN N#CCC1(CN[C@@H](CC2CC2)c2ccccc2)CC1 ZINC000572094873 329943525 /nfs/dbraw/zinc/94/35/25/329943525.db2.gz BXULVXGAVBVWDP-INIZCTEOSA-N 0 3 254.377 3.811 20 30 CHEDHN C=CCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000265734647 330063248 /nfs/dbraw/zinc/06/32/48/330063248.db2.gz AOIFKRYVEVEOBQ-UHFFFAOYSA-N 0 3 277.795 3.811 20 30 CHEDHN C[C@H](CNCc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000162507516 330063392 /nfs/dbraw/zinc/06/33/92/330063392.db2.gz LFUDWKKMRYTBTD-GFCCVEGCSA-N 0 3 286.325 3.730 20 30 CHEDHN N#CCc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000572403376 330063695 /nfs/dbraw/zinc/06/36/95/330063695.db2.gz GZEAXAQPRLKPAV-MRXNPFEDSA-N 0 3 266.344 3.513 20 30 CHEDHN COC1CCC(N(C)CC#Cc2cccc(Cl)c2)CC1 ZINC000269567613 330070007 /nfs/dbraw/zinc/07/00/07/330070007.db2.gz WVCUIAJMXSTIBB-UHFFFAOYSA-N 0 3 291.822 3.581 20 30 CHEDHN C#CCCCN[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000273339668 330090729 /nfs/dbraw/zinc/09/07/29/330090729.db2.gz WHCXEZZDSLODSJ-SECBINFHSA-N 0 3 276.327 3.616 20 30 CHEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000270350986 330075090 /nfs/dbraw/zinc/07/50/90/330075090.db2.gz PUYWPUKTAIORRL-KGLIPLIRSA-N 0 3 296.480 3.895 20 30 CHEDHN C=CCSCCN[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000271452201 330080057 /nfs/dbraw/zinc/08/00/57/330080057.db2.gz IIVQFKVVLQAYGC-LBPRGKRZSA-N 0 3 297.489 3.987 20 30 CHEDHN C=CCC[C@H](C)N[C@H](CCOC)c1ccc(C)o1 ZINC000273215024 330090424 /nfs/dbraw/zinc/09/04/24/330090424.db2.gz AAHNRDIZQWCLJJ-GXTWGEPZSA-N 0 3 251.370 3.610 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)s1)c1ccc(C#N)cc1 ZINC000421868581 330099519 /nfs/dbraw/zinc/09/95/19/330099519.db2.gz CXHHHBZJXOEZQU-INIZCTEOSA-N 0 3 281.384 3.732 20 30 CHEDHN Cc1cncc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433019737 330124115 /nfs/dbraw/zinc/12/41/15/330124115.db2.gz LMBWJPUDARXEFP-GOSISDBHSA-N 0 3 279.387 3.915 20 30 CHEDHN C[C@@H](NCc1ccc2c(c1)CCCN2)c1cccc(C#N)c1 ZINC000423438706 330201607 /nfs/dbraw/zinc/20/16/07/330201607.db2.gz HDPAEMZAWLFOCO-CQSZACIVSA-N 0 3 291.398 3.767 20 30 CHEDHN COCCC1CCN([C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000527938051 330293823 /nfs/dbraw/zinc/29/38/23/330293823.db2.gz YAZMIXQGBKLJGF-CYBMUJFWSA-N 0 3 290.382 3.507 20 30 CHEDHN CC(C)n1cncc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000424179696 330318675 /nfs/dbraw/zinc/31/86/75/330318675.db2.gz ZOPCJCBKXUAMGG-SFHVURJKSA-N 0 3 294.402 3.503 20 30 CHEDHN C=CCCCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000533029581 330324884 /nfs/dbraw/zinc/32/48/84/330324884.db2.gz YUTROHAETCEIGN-SFHVURJKSA-N 0 3 294.398 3.922 20 30 CHEDHN C=CCOc1cccc(CN[C@@H](C)c2cccc(O)c2)c1 ZINC000105461677 330326485 /nfs/dbraw/zinc/32/64/85/330326485.db2.gz IUUSHTGCEXWMHE-AWEZNQCLSA-N 0 3 283.371 3.808 20 30 CHEDHN Cc1cccc2c1CC[C@@H]2NCc1ccc(C#N)cc1 ZINC000105496742 330326662 /nfs/dbraw/zinc/32/66/62/330326662.db2.gz MGWLEMMASNAAKQ-SFHVURJKSA-N 0 3 262.356 3.644 20 30 CHEDHN C=CCCN[C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000533091755 330334382 /nfs/dbraw/zinc/33/43/82/330334382.db2.gz IQOFLRHFRXSPPQ-LJQANCHMSA-N 0 3 297.398 3.959 20 30 CHEDHN N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424316171 330339356 /nfs/dbraw/zinc/33/93/56/330339356.db2.gz AQYIBVKZBSQYBO-PMPSAXMXSA-N 0 3 297.427 3.709 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000424317666 330339669 /nfs/dbraw/zinc/33/96/69/330339669.db2.gz CDEOSUVGBZBZBO-NJZAAPMLSA-N 0 3 290.794 3.836 20 30 CHEDHN Cc1cc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)ccc1F ZINC000424320257 330340012 /nfs/dbraw/zinc/34/00/12/330340012.db2.gz FXIAYCNWFNNVQH-MJEQTWJJSA-N 0 3 272.367 3.867 20 30 CHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000424320667 330340195 /nfs/dbraw/zinc/34/01/95/330340195.db2.gz GEFRIRDZDZEUOK-DXCKQFNASA-N 0 3 299.374 3.644 20 30 CHEDHN CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000424324544 330341084 /nfs/dbraw/zinc/34/10/84/330341084.db2.gz KDIKXVFREBYTJI-NORZTCDRSA-N 0 3 299.374 3.512 20 30 CHEDHN CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1F ZINC000424328477 330341874 /nfs/dbraw/zinc/34/18/74/330341874.db2.gz ODHWBHZQRDXXKS-NORZTCDRSA-N 0 3 278.346 3.944 20 30 CHEDHN Cc1ccc(OC(F)F)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424330391 330342110 /nfs/dbraw/zinc/34/21/10/330342110.db2.gz QLYYDVANZIGAOZ-FRRDWIJNSA-N 0 3 294.345 3.939 20 30 CHEDHN Cc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C2CCC2)o1 ZINC000424330848 330342344 /nfs/dbraw/zinc/34/23/44/330342344.db2.gz RHJVOQKBZATRHE-JGGQBBKZSA-N 0 3 258.365 3.711 20 30 CHEDHN C#CCOc1ccc(CN[C@H](C)c2ccccc2)cc1 ZINC000045944695 330350051 /nfs/dbraw/zinc/35/00/51/330350051.db2.gz CTOACUMJKMACDW-OAHLLOKOSA-N 0 3 265.356 3.549 20 30 CHEDHN N#Cc1ccc(CNCCc2cc3ccccc3o2)c(F)c1 ZINC000533309178 330357021 /nfs/dbraw/zinc/35/70/21/330357021.db2.gz LHFVCVXBDNNSJD-UHFFFAOYSA-N 0 3 294.329 3.776 20 30 CHEDHN C=C(CC)CN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000536891022 330363303 /nfs/dbraw/zinc/36/33/03/330363303.db2.gz WDTQIGSFLUNZSL-GOSISDBHSA-N 0 3 289.419 3.642 20 30 CHEDHN C=C(CC)CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000536905377 330363753 /nfs/dbraw/zinc/36/37/53/330363753.db2.gz NWOHJYGHYGIKIW-UHFFFAOYSA-N 0 3 262.372 3.668 20 30 CHEDHN C=C(C)CNCc1cc(Cl)c(OCCC)c(OC)c1 ZINC000119626563 330376147 /nfs/dbraw/zinc/37/61/47/330376147.db2.gz NPCNPIHKWCXBGK-UHFFFAOYSA-N 0 3 283.799 3.803 20 30 CHEDHN C=C(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000119636552 330378118 /nfs/dbraw/zinc/37/81/18/330378118.db2.gz SBNXLFUQHCOCQM-UHFFFAOYSA-N 0 3 272.304 3.521 20 30 CHEDHN C=CCCOCCN[C@@H](C)c1ccc(SC)c(F)c1 ZINC000090883734 330396564 /nfs/dbraw/zinc/39/65/64/330396564.db2.gz LRFYVXLJWLAKAH-LBPRGKRZSA-N 0 3 283.412 3.791 20 30 CHEDHN CC#CCNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000537155483 330409058 /nfs/dbraw/zinc/40/90/58/330409058.db2.gz ONIFFWBCNKMKFF-UHFFFAOYSA-N 0 3 267.294 3.698 20 30 CHEDHN C[C@H](N[C@H]1CCC[C@H](F)C1)c1ccc(C#N)cc1F ZINC000572482553 330650340 /nfs/dbraw/zinc/65/03/40/330650340.db2.gz ZBPOLLDDGHIDQO-DRZSPHRISA-N 0 3 264.319 3.629 20 30 CHEDHN C=C[C@@H](C)N[C@H](C)c1cc(Br)ccc1F ZINC000157261816 330772246 /nfs/dbraw/zinc/77/22/46/330772246.db2.gz GQWVKFGSCLEOMN-RKDXNWHRSA-N 0 3 272.161 3.813 20 30 CHEDHN Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442870433 330788980 /nfs/dbraw/zinc/78/89/80/330788980.db2.gz CVQRMDXHNZWPJQ-BXUZGUMPSA-N 0 3 282.309 3.796 20 30 CHEDHN Cc1cc(CN[C@@H]2c3ccccc3C[C@H]2C)ccc1C#N ZINC000443992025 330808687 /nfs/dbraw/zinc/80/86/87/330808687.db2.gz VTYNRKSITYKLGC-KUHUBIRLSA-N 0 3 276.383 3.890 20 30 CHEDHN CC(C)[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1nc2ccccc2[nH]1 ZINC000446822257 330855167 /nfs/dbraw/zinc/85/51/67/330855167.db2.gz VOZBNDDBULOZJD-VBQJREDUSA-N 0 3 296.418 3.932 20 30 CHEDHN CC[C@H](NCCOC1CCCCC1)c1ccc(C#N)cc1 ZINC000447531650 330868357 /nfs/dbraw/zinc/86/83/57/330868357.db2.gz SBNYXDIIUASXQY-SFHVURJKSA-N 0 3 286.419 3.948 20 30 CHEDHN C=CCCCC[C@H](C)N[C@@H](CO)c1cccc(F)c1 ZINC000449145265 330901553 /nfs/dbraw/zinc/90/15/53/330901553.db2.gz WQSDKIGTAXWSDS-BBRMVZONSA-N 0 3 265.372 3.584 20 30 CHEDHN CC[C@H](NC1CCC(C)(C#N)CC1)c1nccs1 ZINC000449160271 330902469 /nfs/dbraw/zinc/90/24/69/330902469.db2.gz LDGIWZSINCSQNY-LXVYMNJGSA-N 0 3 263.410 3.656 20 30 CHEDHN C=CCCCC[C@@H](C)NCc1nccn1CC(C)C ZINC000449223817 330907335 /nfs/dbraw/zinc/90/73/35/330907335.db2.gz KMUCZNCWDWEJCK-OAHLLOKOSA-N 0 3 263.429 3.764 20 30 CHEDHN C=CCCCC[C@H](C)N[C@H](CO)c1ccsc1 ZINC000449250215 330909866 /nfs/dbraw/zinc/90/98/66/330909866.db2.gz OMDRIKXTUSINPM-GXTWGEPZSA-N 0 3 253.411 3.506 20 30 CHEDHN N#C[C@H]1CCC[C@@H](NCc2cc(C3CC3)ccc2F)C1 ZINC000449373513 330920125 /nfs/dbraw/zinc/92/01/25/330920125.db2.gz RMYHFYCWXFWUHK-BLLLJJGKSA-N 0 3 272.367 3.875 20 30 CHEDHN C=CCC[C@H](CC)NCc1cccc(C(F)(F)F)n1 ZINC000449400110 330922378 /nfs/dbraw/zinc/92/23/78/330922378.db2.gz HIMWYUDBWKPDFH-NSHDSACASA-N 0 3 272.314 3.935 20 30 CHEDHN C=CCC1(NCc2csc(C)n2)CCCCC1 ZINC000449570556 330937945 /nfs/dbraw/zinc/93/79/45/330937945.db2.gz BOZRKOVUOKTVDP-UHFFFAOYSA-N 0 3 250.411 3.820 20 30 CHEDHN C=C(CC)CNCc1cnc(-c2cccs2)s1 ZINC000449737514 330947451 /nfs/dbraw/zinc/94/74/51/330947451.db2.gz ZEWWXQLVCOUSKJ-UHFFFAOYSA-N 0 3 264.419 3.927 20 30 CHEDHN C=C(C)CN1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000450314111 330972164 /nfs/dbraw/zinc/97/21/64/330972164.db2.gz AMEIMXJTGNJEQF-UHFFFAOYSA-N 0 3 289.810 3.664 20 30 CHEDHN N#CC1(CN[C@H]2CCCC[C@@H]2c2ccccc2)CCC1 ZINC000450754424 330997981 /nfs/dbraw/zinc/99/79/81/330997981.db2.gz CLUPDSUOMBMNRZ-SJORKVTESA-N 0 3 268.404 3.996 20 30 CHEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCC1(C#N)CCC1 ZINC000450913284 331006828 /nfs/dbraw/zinc/00/68/28/331006828.db2.gz ZAUHYDSRLOFMRH-HZPDHXFCSA-N 0 3 278.440 3.644 20 30 CHEDHN N#Cc1cc(F)ccc1CN[C@@H]1CCC12CCCC2 ZINC000451452777 331030050 /nfs/dbraw/zinc/03/00/50/331030050.db2.gz DXRXNMXIMHTUHJ-OAHLLOKOSA-N 0 3 258.340 3.510 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000451608823 331036657 /nfs/dbraw/zinc/03/66/57/331036657.db2.gz CAUOYJNSSYXBNY-DFBGVHRSSA-N 0 3 299.336 3.786 20 30 CHEDHN C=CCOCCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451969830 331048913 /nfs/dbraw/zinc/04/89/13/331048913.db2.gz KZLSBXIULYYIHG-MRXNPFEDSA-N 0 3 281.346 3.694 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)ccc1OC(F)F ZINC000453343014 331119423 /nfs/dbraw/zinc/11/94/23/331119423.db2.gz DNLVXIMJWDHNGZ-BNOWGMLFSA-N 0 3 297.345 3.591 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1oc2ccccc2c1C ZINC000453343365 331119507 /nfs/dbraw/zinc/11/95/07/331119507.db2.gz FATLCAZYJQPCKA-YUELXQCFSA-N 0 3 271.360 3.735 20 30 CHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1cc(F)ccc1F ZINC000453353143 331121094 /nfs/dbraw/zinc/12/10/94/331121094.db2.gz MQXZVFZMILLBKB-XHSDSOJGSA-N 0 3 281.346 3.739 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc(Cl)s1 ZINC000453354283 331121430 /nfs/dbraw/zinc/12/14/30/331121430.db2.gz KTLQSUABVMHNLT-AXFHLTTASA-N 0 3 271.813 3.786 20 30 CHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000453367800 331123572 /nfs/dbraw/zinc/12/35/72/331123572.db2.gz RUVJKNXWRHBGGJ-GDLCADMTSA-N 0 3 285.309 3.700 20 30 CHEDHN C=CCC1(CN[C@H](CC)c2nccn2C)CCCC1 ZINC000453378251 331125059 /nfs/dbraw/zinc/12/50/59/331125059.db2.gz QCCLTMWYJJKJNA-CQSZACIVSA-N 0 3 261.413 3.597 20 30 CHEDHN C=CCC[C@@H](CO)N[C@@H](CC)c1ccccc1OC(F)F ZINC000453377544 331125310 /nfs/dbraw/zinc/12/53/10/331125310.db2.gz XXAHWTCBQGOHAN-JSGCOSHPSA-N 0 3 299.361 3.656 20 30 CHEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000453380970 331125698 /nfs/dbraw/zinc/12/56/98/331125698.db2.gz ZZQNLAFEZRCTLD-QWHCGFSZSA-N 0 3 299.361 3.574 20 30 CHEDHN C=CCC1(CN[C@H](c2nnc[nH]2)c2ccccc2)CCCC1 ZINC000453384901 331126379 /nfs/dbraw/zinc/12/63/79/331126379.db2.gz UGMVICZDZZHMNP-INIZCTEOSA-N 0 3 296.418 3.620 20 30 CHEDHN C[C@@H](NC[C@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1F ZINC000453426022 331131002 /nfs/dbraw/zinc/13/10/02/331131002.db2.gz OIEJTBHBLKZGTR-OCCSQVGLSA-N 0 3 290.382 3.553 20 30 CHEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000195646076 331179404 /nfs/dbraw/zinc/17/94/04/331179404.db2.gz CZTPGIDYMDTAHI-UHFFFAOYSA-N 0 3 298.361 3.598 20 30 CHEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CCCC1 ZINC000456649045 331198243 /nfs/dbraw/zinc/19/82/43/331198243.db2.gz BZRVBGVKGHRSSF-ZWKOTPCHSA-N 0 3 298.430 3.844 20 30 CHEDHN C[C@@H]1CCCC[C@]1(C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459603559 331290283 /nfs/dbraw/zinc/29/02/83/331290283.db2.gz AFKODNMBUVKYHP-WBMJQRKESA-N 0 3 287.363 3.525 20 30 CHEDHN C[C@@H]1CCCC[C@@]1(C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459603558 331290318 /nfs/dbraw/zinc/29/03/18/331290318.db2.gz AFKODNMBUVKYHP-MLGOLLRUSA-N 0 3 287.363 3.525 20 30 CHEDHN CC(C)(CC#N)CNCc1ccc(F)cc1C(F)(F)F ZINC000459684084 331294211 /nfs/dbraw/zinc/29/42/11/331294211.db2.gz BQCLYOCDDFSHKL-UHFFFAOYSA-N 0 3 288.288 3.874 20 30 CHEDHN CN(Cc1ccc(C#N)o1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459688744 331294598 /nfs/dbraw/zinc/29/45/98/331294598.db2.gz YJMNBMGJWDHHPC-ROUUACIJSA-N 0 3 280.371 3.919 20 30 CHEDHN CN(Cc1ccc(C#N)o1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459688729 331294613 /nfs/dbraw/zinc/29/46/13/331294613.db2.gz YJMNBMGJWDHHPC-MSOLQXFVSA-N 0 3 280.371 3.919 20 30 CHEDHN CCSc1cccc(CNCC(C)(C)CC#N)c1 ZINC000459726898 331296131 /nfs/dbraw/zinc/29/61/31/331296131.db2.gz FQUANWLLTMRDJL-UHFFFAOYSA-N 0 3 262.422 3.828 20 30 CHEDHN CC(C)(CC#N)CNC/C=C/c1ccc(F)cc1F ZINC000459728930 331296258 /nfs/dbraw/zinc/29/62/58/331296258.db2.gz JOSXFEQUFSVONJ-ONEGZZNKSA-N 0 3 264.319 3.507 20 30 CHEDHN CCC1(c2ccccc2)CN(CC(C)(C)CCC#N)C1 ZINC000459760002 331298974 /nfs/dbraw/zinc/29/89/74/331298974.db2.gz PWVCVLDJSSMOSA-UHFFFAOYSA-N 0 3 270.420 3.980 20 30 CHEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000462764525 331328020 /nfs/dbraw/zinc/32/80/20/331328020.db2.gz NXDWZGFXBJFWMS-RBUKOAKNSA-N 0 3 293.410 3.972 20 30 CHEDHN CC(C)c1ccc(CC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000462817532 331330821 /nfs/dbraw/zinc/33/08/21/331330821.db2.gz HQRPOWHIMLNSQM-HNNXBMFYSA-N 0 3 298.430 3.751 20 30 CHEDHN C[C@@H]1CCC[C@H](C)N1CCNc1c(Cl)cccc1C#N ZINC000462833823 331332066 /nfs/dbraw/zinc/33/20/66/331332066.db2.gz QFZOXUQBFXNHQA-BETUJISGSA-N 0 3 291.826 3.886 20 30 CHEDHN CC(C)CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000464812286 331369301 /nfs/dbraw/zinc/36/93/01/331369301.db2.gz KCXMOFOFYSLFEF-DLBZAZTESA-N 0 3 256.393 3.804 20 30 CHEDHN C=CC[C@@H](CC)NCc1nc2cc(Cl)ccc2n1C ZINC000466402529 331395229 /nfs/dbraw/zinc/39/52/29/331395229.db2.gz XQYYVGIIKBNZLW-GFCCVEGCSA-N 0 3 277.799 3.671 20 30 CHEDHN C=CCOCCCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000470762265 331489363 /nfs/dbraw/zinc/48/93/63/331489363.db2.gz QMOOMHBCSDCRJQ-INIZCTEOSA-N 0 3 281.346 3.764 20 30 CHEDHN C=CCOCCCN[C@@H](C)c1ccccc1Br ZINC000470765727 331489842 /nfs/dbraw/zinc/48/98/42/331489842.db2.gz NUOFRXVVLUPZNW-LBPRGKRZSA-N 0 3 298.224 3.692 20 30 CHEDHN C=CCCCCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000488151075 331992174 /nfs/dbraw/zinc/99/21/74/331992174.db2.gz OUOROVPBMDSUIM-ZDUSSCGKSA-N 0 3 262.353 3.992 20 30 CHEDHN Cc1cc(CN(C)Cc2ccc(F)cc2C)ccc1C#N ZINC000488979316 332036386 /nfs/dbraw/zinc/03/63/86/332036386.db2.gz LHJMMUGFUIMYLR-UHFFFAOYSA-N 0 3 282.362 3.946 20 30 CHEDHN C=C[C@@H]1CCCCN1Cc1ccc(OC(F)F)cc1 ZINC000489431754 332052027 /nfs/dbraw/zinc/05/20/27/332052027.db2.gz RWYFVOOZVHMKQY-CYBMUJFWSA-N 0 3 267.319 3.829 20 30 CHEDHN C=C[C@H]1CCCCN1C[C@@H]1CCC2(CCCCC2)O1 ZINC000489451630 332053400 /nfs/dbraw/zinc/05/34/00/332053400.db2.gz UNWLEZMECNWIIO-HOTGVXAUSA-N 0 3 263.425 3.909 20 30 CHEDHN C=CCCCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490039581 332078258 /nfs/dbraw/zinc/07/82/58/332078258.db2.gz CMPKVPGHWDTWDD-HNNXBMFYSA-N 0 3 267.800 3.926 20 30 CHEDHN C#C[C@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000491819412 332369489 /nfs/dbraw/zinc/36/94/89/332369489.db2.gz NVIXWOJYHQJOOE-VZAMPYOESA-N 0 3 277.795 3.560 20 30 CHEDHN C=CCc1cccc(C(C)C)c1NC(=O)/C=C\CN(C)C ZINC000492034552 332379901 /nfs/dbraw/zinc/37/99/01/332379901.db2.gz SHYHXLDQVRYLQH-WQLSENKSSA-N 0 3 286.419 3.595 20 30 CHEDHN CC#CCCNCc1ccc(-c2ccc(C)cc2)o1 ZINC000499211740 332582515 /nfs/dbraw/zinc/58/25/15/332582515.db2.gz IVKGIPWPDYQIKL-UHFFFAOYSA-N 0 3 253.345 3.758 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2Cc3ccc(Cl)cc3C2)s1 ZINC000500445945 332609426 /nfs/dbraw/zinc/60/94/26/332609426.db2.gz BFTWLHGWTXWXHK-CYBMUJFWSA-N 0 3 288.803 3.530 20 30 CHEDHN CC[C@H]1C[C@@]1(NCc1cc(C#N)n(C)c1)c1cccc(C)c1 ZINC000500480965 332610767 /nfs/dbraw/zinc/61/07/67/332610767.db2.gz IAVLFYRQLOFUEV-LPHOPBHVSA-N 0 3 293.414 3.620 20 30 CHEDHN C=CC[C@H](CO)CNCc1ccc(-c2ccccc2)cc1F ZINC000503592104 332693701 /nfs/dbraw/zinc/69/37/01/332693701.db2.gz LFONVRCQZJPRGD-HNNXBMFYSA-N 0 3 299.389 3.767 20 30 CHEDHN COCc1ccccc1/C=C(\C)CN1CCC(C)(C#N)CC1 ZINC000512333517 332963631 /nfs/dbraw/zinc/96/36/31/332963631.db2.gz GTMVSUQEVRXUCC-FOWTUZBSSA-N 0 3 298.430 3.862 20 30 CHEDHN C[C@@H](NCCC1CCCC1)c1ccc(C#N)cc1F ZINC000512612999 332975992 /nfs/dbraw/zinc/97/59/92/332975992.db2.gz QUHNLAKFPBBWDC-GFCCVEGCSA-N 0 3 260.356 3.928 20 30 CHEDHN CC[C@@](C)(NCCCC(C)(C)C#N)c1nccs1 ZINC000174871798 333009516 /nfs/dbraw/zinc/00/95/16/333009516.db2.gz FNKXZHZBGHQAMT-CQSZACIVSA-N 0 3 265.426 3.688 20 30 CHEDHN C=CCCN[C@@H](C)c1ccc(Br)cc1OC ZINC000309912908 333051332 /nfs/dbraw/zinc/05/13/32/333051332.db2.gz NTRBMNQFFRYEHG-JTQLQIEISA-N 0 3 284.197 3.684 20 30 CHEDHN C=CCOCCN[C@@H](C)c1ccc2ccccc2c1 ZINC000311641377 333070775 /nfs/dbraw/zinc/07/07/75/333070775.db2.gz PTZLZTRYXFVICK-AWEZNQCLSA-N 0 3 255.361 3.693 20 30 CHEDHN C[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000516774068 333082180 /nfs/dbraw/zinc/08/21/80/333082180.db2.gz FVWZCOVYVPNUOB-GFCCVEGCSA-N 0 3 287.363 3.525 20 30 CHEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCCC(C)(C)C#N ZINC000184012685 333124450 /nfs/dbraw/zinc/12/44/50/333124450.db2.gz HCMPIECLVKRQMJ-QGZVFWFLSA-N 0 3 299.462 3.917 20 30 CHEDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1cccc(C#N)c1F ZINC000218075087 333126538 /nfs/dbraw/zinc/12/65/38/333126538.db2.gz IVWQHIDWNLIEND-DOMZBBRYSA-N 0 3 260.356 3.708 20 30 CHEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OCC2CC2)c1 ZINC000185863292 333150485 /nfs/dbraw/zinc/15/04/85/333150485.db2.gz HIGYDGDLZDZJDQ-FUHWJXTLSA-N 0 3 298.430 3.956 20 30 CHEDHN Cc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1Cl ZINC000185898918 333151478 /nfs/dbraw/zinc/15/14/78/333151478.db2.gz QPSDOEIWDAIFPE-OCCSQVGLSA-N 0 3 262.784 3.820 20 30 CHEDHN N#Cc1cccc(CN2CC[C@@H](c3ccccc3)C2)c1F ZINC000219519152 333151651 /nfs/dbraw/zinc/15/16/51/333151651.db2.gz LBRWNOPUPNWUEV-MRXNPFEDSA-N 0 3 280.346 3.687 20 30 CHEDHN N#Cc1cccc(CN2CCC[C@@H]2C2CCCC2)c1F ZINC000219518242 333151662 /nfs/dbraw/zinc/15/16/62/333151662.db2.gz STVYZHRYAHWZJE-MRXNPFEDSA-N 0 3 272.367 3.852 20 30 CHEDHN C=C(C)[C@@H](N[C@@H](COC)C1CC1)c1ccc(F)c(F)c1 ZINC000186448449 333161174 /nfs/dbraw/zinc/16/11/74/333161174.db2.gz HIZFBWRONOURDN-JKSUJKDBSA-N 0 3 281.346 3.597 20 30 CHEDHN N#Cc1ccc(CNCCc2cc3ccccc3o2)cc1 ZINC000152578144 333183552 /nfs/dbraw/zinc/18/35/52/333183552.db2.gz XFNXUNCKQXLBNZ-UHFFFAOYSA-N 0 3 276.339 3.637 20 30 CHEDHN Cc1cc(C)cc([C@@H]2CCN(Cc3cc(C#N)n(C)c3)C2)c1 ZINC000191475752 333220428 /nfs/dbraw/zinc/22/04/28/333220428.db2.gz SGXWVSILZGZDGP-QGZVFWFLSA-N 0 3 293.414 3.503 20 30 CHEDHN C=CCOc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000194819482 333277836 /nfs/dbraw/zinc/27/78/36/333277836.db2.gz DHWSVHCSBCWJOB-UHFFFAOYSA-N 0 3 292.382 3.755 20 30 CHEDHN CC(C)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000227354332 333281589 /nfs/dbraw/zinc/28/15/89/333281589.db2.gz BFUZPHJDMUWKRM-UHFFFAOYSA-N 0 3 256.393 3.936 20 30 CHEDHN C=CCOc1ccccc1CNCCC1=CCCC1 ZINC000229201262 333301679 /nfs/dbraw/zinc/30/16/79/333301679.db2.gz AOVZPRBIFNWUFN-UHFFFAOYSA-N 0 3 257.377 3.841 20 30 CHEDHN CC(C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000522977109 333302760 /nfs/dbraw/zinc/30/27/60/333302760.db2.gz WWAAHDQVAIAIKY-IAQYHMDHSA-N 0 3 290.794 3.847 20 30 CHEDHN C=CCCOCCNCc1ccc(C(C)(C)C)s1 ZINC000229880392 333310797 /nfs/dbraw/zinc/31/07/97/333310797.db2.gz YVKPBFRLXAAPSA-UHFFFAOYSA-N 0 3 267.438 3.728 20 30 CHEDHN CC(C)(C#N)CCCCN1CCc2ccccc2C1 ZINC000232531876 333338164 /nfs/dbraw/zinc/33/81/64/333338164.db2.gz LFIGVJQNYCJZMX-UHFFFAOYSA-N 0 3 256.393 3.765 20 30 CHEDHN CC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000524758318 333387269 /nfs/dbraw/zinc/38/72/69/333387269.db2.gz ZYXJMNGRVYAWLG-OAHLLOKOSA-N 0 3 260.356 3.708 20 30 CHEDHN C[C@@H]1C[C@H]1c1ccc(CN2CCC(CCC#N)CC2)o1 ZINC000575989640 335139091 /nfs/dbraw/zinc/13/90/91/335139091.db2.gz UTSVQLNOPLBBAQ-CZUORRHYSA-N 0 3 272.392 3.919 20 30 CHEDHN C[C@@H](NCCOC1CCCCCC1)c1ccc(C#N)cc1 ZINC000174110450 335148339 /nfs/dbraw/zinc/14/83/39/335148339.db2.gz KTGXETCSJDWYFI-OAHLLOKOSA-N 0 3 286.419 3.948 20 30 CHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000538198744 333578688 /nfs/dbraw/zinc/57/86/88/333578688.db2.gz STCWYUMHVWJKQT-WDEREUQCSA-N 0 3 288.218 3.829 20 30 CHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1 ZINC000538508887 333601235 /nfs/dbraw/zinc/60/12/35/333601235.db2.gz KAPWDAFARRLCQX-KGLIPLIRSA-N 0 3 298.361 3.815 20 30 CHEDHN C=CCC[C@H](C)NCc1cc(OC)ccc1Br ZINC000541741063 333789058 /nfs/dbraw/zinc/78/90/58/333789058.db2.gz GGTNLOXUVXWGFY-NSHDSACASA-N 0 3 298.224 3.902 20 30 CHEDHN CC#CCN[C@@H](Cc1ccccc1)c1cccs1 ZINC000542527926 333830940 /nfs/dbraw/zinc/83/09/40/333830940.db2.gz YTMORWUEYVIUPF-HNNXBMFYSA-N 0 3 255.386 3.645 20 30 CHEDHN N#CCC1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000542878188 333847454 /nfs/dbraw/zinc/84/74/54/333847454.db2.gz DYLWTNUWKNPUHK-KRWDZBQOSA-N 0 3 272.367 3.829 20 30 CHEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000543777985 333897963 /nfs/dbraw/zinc/89/79/63/333897963.db2.gz ZDGJKXYPBNTTSK-WBMJQRKESA-N 0 3 299.817 3.950 20 30 CHEDHN C=CCOc1ccc(CN[C@]2(C)CCO[C@H]2C)cc1Cl ZINC000544368189 333927300 /nfs/dbraw/zinc/92/73/00/333927300.db2.gz IOWQHAMPCKMTTC-BLLLJJGKSA-N 0 3 295.810 3.562 20 30 CHEDHN C=CCN1CC=C(c2cccc(Br)c2)CC1 ZINC000545878349 334003724 /nfs/dbraw/zinc/00/37/24/334003724.db2.gz HVRPKEAWLXHRKP-UHFFFAOYSA-N 0 3 278.193 3.724 20 30 CHEDHN C[C@H](C#N)CN[C@H]1CCC[C@H]1CCc1ccccc1 ZINC000545948490 334008492 /nfs/dbraw/zinc/00/84/92/334008492.db2.gz UQRYILSSBDCUEU-PVAVHDDUSA-N 0 3 256.393 3.537 20 30 CHEDHN C/C=C/COc1ccc(CC[C@H](C)NC[C@H](C)C#N)cc1 ZINC000547361820 334083419 /nfs/dbraw/zinc/08/34/19/334083419.db2.gz PERULHLLEUTNCV-SGFLJFKBSA-N 0 3 286.419 3.712 20 30 CHEDHN COc1ccc(CN(C)[C@H](C)c2ccccc2)cc1C#N ZINC000134960893 334109573 /nfs/dbraw/zinc/10/95/73/334109573.db2.gz QIPNKPQHBPDDPP-CQSZACIVSA-N 0 3 280.371 3.760 20 30 CHEDHN CC[C@H](NCc1ccc(C#N)s1)c1ccc(OC)cc1 ZINC000135670687 334135907 /nfs/dbraw/zinc/13/59/07/334135907.db2.gz PBYVAPZFYDXLRX-INIZCTEOSA-N 0 3 286.400 3.869 20 30 CHEDHN C[C@@H](C#N)CN[C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000549378228 334191826 /nfs/dbraw/zinc/19/18/26/334191826.db2.gz NZLMAQYCGVSNML-NWDGAFQWSA-N 0 3 284.325 3.776 20 30 CHEDHN C=CCOCCNC(C)(C)c1ccc(OCCC)cc1 ZINC000549614049 334199751 /nfs/dbraw/zinc/19/97/51/334199751.db2.gz VGBWFJDOCMERKB-UHFFFAOYSA-N 0 3 277.408 3.503 20 30 CHEDHN C=CCOCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000549920010 334208824 /nfs/dbraw/zinc/20/88/24/334208824.db2.gz YVLNHQLSGAXVDU-GOSISDBHSA-N 0 3 284.403 3.898 20 30 CHEDHN C[C@@H]1C[C@H]1[C@@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000245888636 334223038 /nfs/dbraw/zinc/22/30/38/334223038.db2.gz LUZCTYWFSTXKEO-DFBGVHRSSA-N 0 3 262.784 3.930 20 30 CHEDHN CCO[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C12CCC2 ZINC000245937284 334224689 /nfs/dbraw/zinc/22/46/89/334224689.db2.gz UEDZHVLDQHRJTP-KZNAEPCWSA-N 0 3 298.430 3.969 20 30 CHEDHN N#Cc1cccc(C2(NC/C=C/c3ccccc3)CC2)c1 ZINC000551580678 334254891 /nfs/dbraw/zinc/25/48/91/334254891.db2.gz TYQIAWFDBCAZHT-WEVVVXLNSA-N 0 3 274.367 3.850 20 30 CHEDHN C[C@H](C#N)CN[C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000248598234 334307675 /nfs/dbraw/zinc/30/76/75/334307675.db2.gz IONXGGMULMBIBI-XOSAIJSUSA-N 0 3 256.393 3.708 20 30 CHEDHN C=CCC[C@H](N[C@@H]1C[C@@H](OC)C1(C)C)c1ccco1 ZINC000552268544 334310405 /nfs/dbraw/zinc/31/04/05/334310405.db2.gz OZDABFYKPUUHCL-NWANDNLSSA-N 0 3 263.381 3.690 20 30 CHEDHN CO[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000248924893 334322084 /nfs/dbraw/zinc/32/20/84/334322084.db2.gz XBLQUDMYSZWQHQ-UHOFOFEASA-N 0 3 292.810 3.699 20 30 CHEDHN COc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000248933945 334322297 /nfs/dbraw/zinc/32/22/97/334322297.db2.gz YCOYCKLNEFUTAF-SCRDCRAPSA-N 0 3 276.355 3.567 20 30 CHEDHN C[C@@H](C#N)CNCC1CCC(c2ccccc2)CC1 ZINC000554862995 334457242 /nfs/dbraw/zinc/45/72/42/334457242.db2.gz SZCLKRLJPZLDTL-UQPPLGOBSA-N 0 3 256.393 3.710 20 30 CHEDHN COc1cc(CNC(C)(C)c2ccccc2C)ccc1C#N ZINC000555612268 334484354 /nfs/dbraw/zinc/48/43/54/334484354.db2.gz UOGMVPSRQFUMHR-UHFFFAOYSA-N 0 3 294.398 3.900 20 30 CHEDHN CC(C)C1(NCc2cc(C#N)ccc2Br)CC1 ZINC000555618577 334485287 /nfs/dbraw/zinc/48/52/87/334485287.db2.gz RLTOADOORZWZEH-UHFFFAOYSA-N 0 3 293.208 3.599 20 30 CHEDHN C[C@@H](c1ccc(F)cc1)N1CCC(CCC#N)CC1 ZINC000566172435 334631545 /nfs/dbraw/zinc/63/15/45/334631545.db2.gz DUJGVACOSHFGHO-ZDUSSCGKSA-N 0 3 260.356 3.902 20 30 CHEDHN CCC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCC1 ZINC000566306566 334641896 /nfs/dbraw/zinc/64/18/96/334641896.db2.gz SOPAPLWYTLEFQD-OAHLLOKOSA-N 0 3 287.363 3.525 20 30 CHEDHN CSc1cc(C)ccc1CNCc1cccc(C#N)c1 ZINC000153537461 334673181 /nfs/dbraw/zinc/67/31/81/334673181.db2.gz XVZHBGJXGYQBPI-UHFFFAOYSA-N 0 3 282.412 3.878 20 30 CHEDHN C=CCC[C@@H](CCC)N[C@H](COC)c1ccco1 ZINC000156729818 334748556 /nfs/dbraw/zinc/74/85/56/334748556.db2.gz HNOLYXTYFMIGIW-ZIAGYGMSSA-N 0 3 251.370 3.692 20 30 CHEDHN CCc1cc(OC)ccc1CNCc1ccc(CC#N)cc1 ZINC000567853801 334768668 /nfs/dbraw/zinc/76/86/68/334768668.db2.gz OTCKARKSQDVFGJ-UHFFFAOYSA-N 0 3 294.398 3.613 20 30 CHEDHN C=CCCCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000573059842 334904527 /nfs/dbraw/zinc/90/45/27/334904527.db2.gz DMFFHSSJLMYVKI-SFHVURJKSA-N 0 3 296.414 3.536 20 30 CHEDHN C=CCCC[C@@H](C)NCc1cnc(C(C)(C)C)nc1 ZINC000342787109 335187041 /nfs/dbraw/zinc/18/70/41/335187041.db2.gz ZPBLTSJTZNYJCS-CYBMUJFWSA-N 0 3 261.413 3.609 20 30 CHEDHN N#CC1(CCN2CC[C@H](c3ccncc3)C2)CCCCC1 ZINC000577121888 335303885 /nfs/dbraw/zinc/30/38/85/335303885.db2.gz KABANPRMSXBFAD-KRWDZBQOSA-N 0 3 283.419 3.735 20 30 CHEDHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1ccc(F)cc1C#N ZINC000577202747 335321975 /nfs/dbraw/zinc/32/19/75/335321975.db2.gz KHFMFHCFOXVMFW-ATCWAGBWSA-N 0 3 260.356 3.612 20 30 CHEDHN CC(C)[C@@H](CNCc1ccc(C#N)s1)Nc1ccccc1 ZINC000176965466 335348470 /nfs/dbraw/zinc/34/84/70/335348470.db2.gz MMTIWCJJTHACAA-QGZVFWFLSA-N 0 3 299.443 3.846 20 30 CHEDHN CSc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177689925 335379117 /nfs/dbraw/zinc/37/91/17/335379117.db2.gz ULVKKXVAQZZTOX-UHFFFAOYSA-N 0 3 274.414 3.631 20 30 CHEDHN CC[C@@H](CN(CC)Cc1ccc(C#N)cn1)c1ccccc1 ZINC000577646655 335385701 /nfs/dbraw/zinc/38/57/01/335385701.db2.gz RWIRCEXQJUSJPT-KRWDZBQOSA-N 0 3 293.414 3.969 20 30 CHEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000578193258 335551923 /nfs/dbraw/zinc/55/19/23/335551923.db2.gz WAAXPJGPJPJKHM-BPQIPLTHSA-N 0 3 281.403 3.746 20 30 CHEDHN CC1(C)CC(NC[C@H](C#N)CCC#N)CC(C)(C)C1 ZINC000579463252 335763592 /nfs/dbraw/zinc/76/35/92/335763592.db2.gz KTYZFVFFJQEVNL-ZDUSSCGKSA-N 0 3 261.413 3.624 20 30 CHEDHN C[C@@H]([C@H](C)NC[C@H](C#N)CCC#N)C1CCCCC1 ZINC000185500711 335952751 /nfs/dbraw/zinc/95/27/51/335952751.db2.gz IJXCDKKUCISYMX-KKUMJFAQSA-N 0 3 261.413 3.624 20 30 CHEDHN C=CCN(C)[C@@H](C)c1ccc(Br)cc1 ZINC000194971023 336041301 /nfs/dbraw/zinc/04/13/01/336041301.db2.gz MEXXADSNZOJERX-JTQLQIEISA-N 0 3 254.171 3.628 20 30 CHEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000581300592 336041874 /nfs/dbraw/zinc/04/18/74/336041874.db2.gz WEVMWXZLVZYPJA-NZSAHSFTSA-N 0 3 295.430 3.994 20 30 CHEDHN C=CCC(C)(C)CNCc1cc(F)c(F)cc1F ZINC000380999990 336043301 /nfs/dbraw/zinc/04/33/01/336043301.db2.gz HUCFNPDMYGMKOS-UHFFFAOYSA-N 0 3 257.299 3.796 20 30 CHEDHN COc1cc(CNC/C(C)=C\c2ccccc2)ccc1C#N ZINC000581695900 336129052 /nfs/dbraw/zinc/12/90/52/336129052.db2.gz IREHJRQBKJHIQV-GDNBJRDFSA-N 0 3 292.382 3.760 20 30 CHEDHN C=CCOc1ccc(CNCCOc2cccc(C)c2)cc1 ZINC000387018595 336183925 /nfs/dbraw/zinc/18/39/25/336183925.db2.gz CIVVUOGIOQUKMY-UHFFFAOYSA-N 0 3 297.398 3.728 20 30 CHEDHN COc1cc(CN[C@@H]2C[C@@H](C)c3ccccc32)ccc1C#N ZINC000353608274 533899059 /nfs/dbraw/zinc/89/90/59/533899059.db2.gz IIFYWYACBLRCIT-FZKQIMNGSA-N 0 3 292.382 3.905 20 30 CHEDHN C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(CC#N)cc2)C1 ZINC000347173322 534003365 /nfs/dbraw/zinc/00/33/65/534003365.db2.gz SLQJREODBICTRY-DNVCBOLYSA-N 0 3 291.398 3.731 20 30 CHEDHN CCN(Cc1ccc(C)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000156309706 521304693 /nfs/dbraw/zinc/30/46/93/521304693.db2.gz XODXZWPGSZJILI-HNNXBMFYSA-N 0 3 279.387 3.845 20 30 CHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000151373057 522881077 /nfs/dbraw/zinc/88/10/77/522881077.db2.gz ULJBQSSERZOURL-GOSISDBHSA-N 0 3 280.371 3.808 20 30 CHEDHN COc1ccc(CN[C@@H]2CCCc3sccc32)cc1C#N ZINC000087824220 524086455 /nfs/dbraw/zinc/08/64/55/524086455.db2.gz SCFOTMSZFUURMZ-OAHLLOKOSA-N 0 3 298.411 3.796 20 30 CHEDHN Cc1cc(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)n[nH]1 ZINC000276054456 524606644 /nfs/dbraw/zinc/60/66/44/524606644.db2.gz PGIPVBPLULISFG-AWEZNQCLSA-N 0 3 294.402 3.530 20 30 CHEDHN Cc1cc(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)[nH]n1 ZINC000276054456 524606655 /nfs/dbraw/zinc/60/66/55/524606655.db2.gz PGIPVBPLULISFG-AWEZNQCLSA-N 0 3 294.402 3.530 20 30 CHEDHN Cc1cc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)n[nH]1 ZINC000276054460 524607533 /nfs/dbraw/zinc/60/75/33/524607533.db2.gz PGIPVBPLULISFG-CQSZACIVSA-N 0 3 294.402 3.530 20 30 CHEDHN Cc1cc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)[nH]n1 ZINC000276054460 524607540 /nfs/dbraw/zinc/60/75/40/524607540.db2.gz PGIPVBPLULISFG-CQSZACIVSA-N 0 3 294.402 3.530 20 30 CHEDHN Cc1n[nH]c(C)c1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000350651367 534838783 /nfs/dbraw/zinc/83/87/83/534838783.db2.gz AMUSKSQNRLMPCP-UHFFFAOYSA-N 0 3 296.418 3.556 20 30 CHEDHN C[C@@H](NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000052338269 525511277 /nfs/dbraw/zinc/51/12/77/525511277.db2.gz LPXIZDMIVJNPKG-GFCCVEGCSA-N 0 3 260.356 3.756 20 30 CHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@@H](C)C1 ZINC000290011561 526037745 /nfs/dbraw/zinc/03/77/45/526037745.db2.gz ZSOQANIEBABSAL-RYUDHWBXSA-N 0 3 264.319 3.596 20 30 CHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccs1 ZINC000275274678 526064790 /nfs/dbraw/zinc/06/47/90/526064790.db2.gz LZHAWLRXKJLUOR-LBPRGKRZSA-N 0 3 256.374 3.813 20 30 CHEDHN C[C@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1F ZINC000055386701 526261247 /nfs/dbraw/zinc/26/12/47/526261247.db2.gz OIRYOENQDIIZPV-BLLLJJGKSA-N 0 3 260.356 3.708 20 30 CHEDHN C=C(C)CCN(C)Cc1cc(OC)c(OC)cc1SC ZINC000352001709 526438772 /nfs/dbraw/zinc/43/87/72/526438772.db2.gz CNBHHKLMUDBQQW-UHFFFAOYSA-N 0 3 295.448 3.824 20 30 CHEDHN N#Cc1ccc(CNCCCCCCCCCCCO)o1 ZINC000291648379 526622772 /nfs/dbraw/zinc/62/27/72/526622772.db2.gz CIYVSWFVWNNUSV-UHFFFAOYSA-N 0 3 292.423 3.744 20 30 CHEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000266203594 526625093 /nfs/dbraw/zinc/62/50/93/526625093.db2.gz MBUSWQZGLVUUBM-IAGOWNOFSA-N 0 3 266.344 3.577 20 30 CHEDHN C=C(C)CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000352854607 526625661 /nfs/dbraw/zinc/62/56/61/526625661.db2.gz UQNZRSWDGJUQTB-UHFFFAOYSA-N 0 3 295.308 3.557 20 30 CHEDHN N#Cc1cccc(CN[C@@H](c2ccc(F)cc2)C2CC2)c1 ZINC000037748948 526708977 /nfs/dbraw/zinc/70/89/77/526708977.db2.gz JVDRBZIXBRFSHZ-GOSISDBHSA-N 0 3 280.346 3.938 20 30 CHEDHN C#CCCOc1ccc(CNCc2ccc(C)s2)cc1 ZINC000113323340 526745581 /nfs/dbraw/zinc/74/55/81/526745581.db2.gz IXTCDNDQCQNWQF-UHFFFAOYSA-N 0 3 285.412 3.748 20 30 CHEDHN C=CCOc1cccc(CN2CCS[C@@H](C)[C@@H]2C)c1 ZINC000353841640 526899892 /nfs/dbraw/zinc/89/98/92/526899892.db2.gz FGJCYWXBZKFHRT-KBPBESRZSA-N 0 3 277.433 3.577 20 30 CHEDHN C=CCC[C@H](NC[C@@H](OC)C(C)C)c1ccco1 ZINC000353521549 527483989 /nfs/dbraw/zinc/48/39/89/527483989.db2.gz PZWYOKONJDDNGE-DZGCQCFKSA-N 0 3 251.370 3.548 20 30 CHEDHN CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000352769604 528938818 /nfs/dbraw/zinc/93/88/18/528938818.db2.gz NSISKRPNOXQWGV-UHFFFAOYSA-N 0 3 282.334 3.778 20 30 CHEDHN CCC1(CC)CCCN(Cc2ccc(C#N)o2)CC1 ZINC000347299411 529044388 /nfs/dbraw/zinc/04/43/88/529044388.db2.gz JFFJMOXEBGITOI-UHFFFAOYSA-N 0 3 260.381 3.944 20 30 CHEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1F ZINC000352847646 529167386 /nfs/dbraw/zinc/16/73/86/529167386.db2.gz DUUXUSXIXJKWSW-GOSISDBHSA-N 0 3 298.361 3.817 20 30 CHEDHN CCS[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000344726225 529216679 /nfs/dbraw/zinc/21/66/79/529216679.db2.gz QREPDHKZHHDWSM-LSDHHAIUSA-N 0 3 292.423 3.851 20 30 CHEDHN C=CCCCCC[N@@H+](C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735408218 598865854 /nfs/dbraw/zinc/86/58/54/598865854.db2.gz IBFZDAHVZINRQS-AWEZNQCLSA-N 0 3 299.422 3.606 20 30 CHEDHN C=CCCCCC[N@H+](C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735408218 598865855 /nfs/dbraw/zinc/86/58/55/598865855.db2.gz IBFZDAHVZINRQS-AWEZNQCLSA-N 0 3 299.422 3.606 20 30 CHEDHN C=CCCCCC[N@@H+](C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735408218 598865857 /nfs/dbraw/zinc/86/58/57/598865857.db2.gz IBFZDAHVZINRQS-AWEZNQCLSA-N 0 3 299.422 3.606 20 30 CHEDHN C=CCCCCC[N@H+](C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735408218 598865859 /nfs/dbraw/zinc/86/58/59/598865859.db2.gz IBFZDAHVZINRQS-AWEZNQCLSA-N 0 3 299.422 3.606 20 30 CHEDHN