smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000000004205 526413997 /nfs/dbraw/zinc/41/39/97/526413997.db2.gz MNXAVQJMUHZRML-UHFFFAOYSA-N 0 3 233.742 3.615 20 30 BHEDHN C=CCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000000010229 526413625 /nfs/dbraw/zinc/41/36/25/526413625.db2.gz PHRHDPWFIUXENN-UHFFFAOYSA-N 0 3 233.742 3.615 20 30 BHEDHN CCN(Cc1ccccc1C#N)C1CCCCC1 ZINC000019804714 371189858 /nfs/dbraw/zinc/18/98/58/371189858.db2.gz GRXZISWTJUVFBN-UHFFFAOYSA-N 0 3 242.366 3.713 20 30 BHEDHN C=CCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000019875812 385155086 /nfs/dbraw/zinc/15/50/86/385155086.db2.gz YZLVWLGPEVJJIF-INIZCTEOSA-N 0 3 241.309 3.691 20 30 BHEDHN C=CCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019875813 166407709 /nfs/dbraw/zinc/40/77/09/166407709.db2.gz YZLVWLGPEVJJIF-MRXNPFEDSA-N 0 3 241.309 3.691 20 30 BHEDHN C=CCN[C@H](C)c1ccccc1C(F)(F)F ZINC000019875818 188059215 /nfs/dbraw/zinc/05/92/15/188059215.db2.gz DXHUVPDLTQEVTD-SECBINFHSA-N 0 3 229.245 3.542 20 30 BHEDHN C=CCN[C@@H](C)c1ccccc1C(F)(F)F ZINC000019875819 385155614 /nfs/dbraw/zinc/15/56/14/385155614.db2.gz DXHUVPDLTQEVTD-VIFPVBQESA-N 0 3 229.245 3.542 20 30 BHEDHN C=CCN[C@H](CC)c1cccc(Cl)c1 ZINC000019875847 386783257 /nfs/dbraw/zinc/78/32/57/386783257.db2.gz MDOZTRXITDWJHD-GFCCVEGCSA-N 0 3 209.720 3.567 20 30 BHEDHN C=CCN[C@@H](CC)c1cccc(Cl)c1 ZINC000019875848 386785729 /nfs/dbraw/zinc/78/57/29/386785729.db2.gz MDOZTRXITDWJHD-LBPRGKRZSA-N 0 3 209.720 3.567 20 30 BHEDHN C=CCN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000019875858 187205622 /nfs/dbraw/zinc/20/56/22/187205622.db2.gz WBBULLVOWYQAPU-SECBINFHSA-N 0 3 229.245 3.542 20 30 BHEDHN C=CCN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019875859 385155683 /nfs/dbraw/zinc/15/56/83/385155683.db2.gz WBBULLVOWYQAPU-VIFPVBQESA-N 0 3 229.245 3.542 20 30 BHEDHN C=CCN[C@H](CC)c1ccc(Cl)cc1 ZINC000019875868 386783843 /nfs/dbraw/zinc/78/38/43/386783843.db2.gz SCNONDBZNZWOPL-GFCCVEGCSA-N 0 3 209.720 3.567 20 30 BHEDHN C=CCN[C@@H](CC)c1ccc(Cl)cc1 ZINC000019875869 386785342 /nfs/dbraw/zinc/78/53/42/386785342.db2.gz SCNONDBZNZWOPL-LBPRGKRZSA-N 0 3 209.720 3.567 20 30 BHEDHN C=CCN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019876033 187206529 /nfs/dbraw/zinc/20/65/29/187206529.db2.gz MNHISNWDRNHZDR-SECBINFHSA-N 0 3 229.245 3.542 20 30 BHEDHN C=CCN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019876034 386786090 /nfs/dbraw/zinc/78/60/90/386786090.db2.gz MNHISNWDRNHZDR-VIFPVBQESA-N 0 3 229.245 3.542 20 30 BHEDHN CCCCN(CCCC)Cc1ccccc1C#N ZINC000020360953 259395017 /nfs/dbraw/zinc/39/50/17/259395017.db2.gz HYZLRIGOTHZILM-UHFFFAOYSA-N 0 3 244.382 3.960 20 30 BHEDHN C=CCN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000028243389 166359733 /nfs/dbraw/zinc/35/97/33/166359733.db2.gz PSARTERNWYGCNM-SFHVURJKSA-N 0 3 249.357 3.820 20 30 BHEDHN C=CCN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000028243396 166358850 /nfs/dbraw/zinc/35/88/50/166358850.db2.gz PSARTERNWYGCNM-GOSISDBHSA-N 0 3 249.357 3.820 20 30 BHEDHN CC(C)N(CC#Cc1ccc(Cl)cc1)C(C)C ZINC000033853840 188233873 /nfs/dbraw/zinc/23/38/73/188233873.db2.gz UIWMMSMQYSULBY-UHFFFAOYSA-N 0 3 249.785 3.810 20 30 BHEDHN C=CCN(CC=C(C)C)Cc1ccccc1 ZINC000034623249 355906230 /nfs/dbraw/zinc/90/62/30/355906230.db2.gz AWSSEJSSMAINFX-UHFFFAOYSA-N 0 3 215.340 3.641 20 30 BHEDHN C=CCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000035046296 384392645 /nfs/dbraw/zinc/39/26/45/384392645.db2.gz STURRBHBFSPOIO-CYBMUJFWSA-N 0 3 221.731 3.567 20 30 BHEDHN C=CCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000035046297 384394328 /nfs/dbraw/zinc/39/43/28/384394328.db2.gz STURRBHBFSPOIO-ZDUSSCGKSA-N 0 3 221.731 3.567 20 30 BHEDHN CN(Cc1ccccc1C#N)C1CCCCCC1 ZINC000035175662 386512062 /nfs/dbraw/zinc/51/20/62/386512062.db2.gz LJHISJPSQJYNMT-UHFFFAOYSA-N 0 3 242.366 3.713 20 30 BHEDHN C=CCN[C@H](C)c1oc2ccccc2c1C ZINC000037184969 323191399 /nfs/dbraw/zinc/19/13/99/323191399.db2.gz AGHDKTJISOXDFT-LLVKDONJSA-N 0 3 215.296 3.578 20 30 BHEDHN C=CCN[C@@H](C)c1oc2ccccc2c1C ZINC000037184970 323191428 /nfs/dbraw/zinc/19/14/28/323191428.db2.gz AGHDKTJISOXDFT-NSHDSACASA-N 0 3 215.296 3.578 20 30 BHEDHN N#Cc1ccc(F)c(CNC2CCCCCC2)c1 ZINC000037389417 181113168 /nfs/dbraw/zinc/11/31/68/181113168.db2.gz GFSIYHIOMHGHTG-UHFFFAOYSA-N 0 3 246.329 3.510 20 30 BHEDHN C=C(Br)CNC1CCCCCCC1 ZINC000037680981 364517022 /nfs/dbraw/zinc/51/70/22/364517022.db2.gz PADPZOVXSCVECG-UHFFFAOYSA-N 0 3 246.192 3.598 20 30 BHEDHN C=C(C)CNC(c1ccccc1)c1ccccc1 ZINC000041582341 342996089 /nfs/dbraw/zinc/99/60/89/342996089.db2.gz AUGWSUOFSVPFER-UHFFFAOYSA-N 0 3 237.346 3.942 20 30 BHEDHN CC1CCC(N(C)Cc2ccccc2C#N)CC1 ZINC000042211412 168159506 /nfs/dbraw/zinc/15/95/06/168159506.db2.gz QCTOXKIDXOHSEH-UHFFFAOYSA-N 0 3 242.366 3.569 20 30 BHEDHN CN(CCCCC#N)Cc1ccc(Cl)s1 ZINC000042223590 344447767 /nfs/dbraw/zinc/44/77/67/344447767.db2.gz IFIPDEHWQUTXQI-UHFFFAOYSA-N 0 3 242.775 3.527 20 30 BHEDHN C[C@H](NCCCCC#N)c1ccccc1Cl ZINC000042224798 487691490 /nfs/dbraw/zinc/69/14/90/487691490.db2.gz BZTKGHQZSAXUGC-NSHDSACASA-N 0 3 236.746 3.684 20 30 BHEDHN C[C@@H](NCCCCC#N)c1ccccc1Cl ZINC000042224800 175873940 /nfs/dbraw/zinc/87/39/40/175873940.db2.gz BZTKGHQZSAXUGC-LLVKDONJSA-N 0 3 236.746 3.684 20 30 BHEDHN CN(Cc1ccccc1C#N)CC1CCCCC1 ZINC000042238304 388275021 /nfs/dbraw/zinc/27/50/21/388275021.db2.gz AQYSCJJKWKZWFR-UHFFFAOYSA-N 0 3 242.366 3.570 20 30 BHEDHN C[C@@H]1CCC[C@H](N(C)Cc2ccccc2C#N)C1 ZINC000042240524 176140157 /nfs/dbraw/zinc/14/01/57/176140157.db2.gz QTWCCOHGJHPFOP-CJNGLKHVSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@H]1CCC[C@H](N(C)Cc2ccccc2C#N)C1 ZINC000042240525 177134567 /nfs/dbraw/zinc/13/45/67/177134567.db2.gz QTWCCOHGJHPFOP-BBRMVZONSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2ccccc2C#N)C1 ZINC000042240526 176121206 /nfs/dbraw/zinc/12/12/06/176121206.db2.gz QTWCCOHGJHPFOP-CZUORRHYSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@H]1CCC[C@@H](N(C)Cc2ccccc2C#N)C1 ZINC000042240527 177121177 /nfs/dbraw/zinc/12/11/77/177121177.db2.gz QTWCCOHGJHPFOP-XJKSGUPXSA-N 0 3 242.366 3.569 20 30 BHEDHN CC(C)(C)CC(C)(C)NCc1ccccc1C#N ZINC000042254575 361977894 /nfs/dbraw/zinc/97/78/94/361977894.db2.gz PRYDYFILWVDSPM-UHFFFAOYSA-N 0 3 244.382 3.863 20 30 BHEDHN CCC(CC)CN(CC)Cc1ccccc1C#N ZINC000042337955 342996832 /nfs/dbraw/zinc/99/68/32/342996832.db2.gz DYUYKSOJHNJBDF-UHFFFAOYSA-N 0 3 244.382 3.816 20 30 BHEDHN CC[C@@H]1CCCC[C@@H]1NCc1ccccc1C#N ZINC000042579576 362009270 /nfs/dbraw/zinc/00/92/70/362009270.db2.gz VFBJKSHNFUPLHI-CJNGLKHVSA-N 0 3 242.366 3.617 20 30 BHEDHN CC[C@H]1CCCC[C@@H]1NCc1ccccc1C#N ZINC000042579579 374276372 /nfs/dbraw/zinc/27/63/72/374276372.db2.gz VFBJKSHNFUPLHI-BBRMVZONSA-N 0 3 242.366 3.617 20 30 BHEDHN CC[C@@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC000042579582 362009244 /nfs/dbraw/zinc/00/92/44/362009244.db2.gz VFBJKSHNFUPLHI-CZUORRHYSA-N 0 3 242.366 3.617 20 30 BHEDHN CC[C@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC000042579585 171612062 /nfs/dbraw/zinc/61/20/62/171612062.db2.gz VFBJKSHNFUPLHI-XJKSGUPXSA-N 0 3 242.366 3.617 20 30 BHEDHN CC#CCN[C@H](C)c1cccc2ccccc21 ZINC000043194140 356420321 /nfs/dbraw/zinc/42/03/21/356420321.db2.gz VPKVYBUPKWFUPD-CYBMUJFWSA-N 0 3 223.319 3.514 20 30 BHEDHN CCCC[C@@H](CC)CN(CC)C[C@@H](C)C#N ZINC000043455090 343001499 /nfs/dbraw/zinc/00/14/99/343001499.db2.gz IRWMTXRNDCRMOE-UONOGXRCSA-N 0 3 224.392 3.684 20 30 BHEDHN CCCC[C@H](CC)CN(CC)C[C@@H](C)C#N ZINC000043455092 343001642 /nfs/dbraw/zinc/00/16/42/343001642.db2.gz IRWMTXRNDCRMOE-KBPBESRZSA-N 0 3 224.392 3.684 20 30 BHEDHN C=C(C)CN(C)Cc1ccccc1C(F)(F)F ZINC000043643940 343479609 /nfs/dbraw/zinc/47/96/09/343479609.db2.gz KJLVDGUOTBESMZ-UHFFFAOYSA-N 0 3 243.272 3.713 20 30 BHEDHN C=CCN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089808 487807042 /nfs/dbraw/zinc/80/70/42/487807042.db2.gz CFBVMTDIFDQUCY-NSHDSACASA-N 0 3 215.296 3.612 20 30 BHEDHN C=CCN(C)[C@H](C)c1cc2ccccc2o1 ZINC000044089809 410111906 /nfs/dbraw/zinc/11/19/06/410111906.db2.gz CFBVMTDIFDQUCY-LLVKDONJSA-N 0 3 215.296 3.612 20 30 BHEDHN C[C@H](c1cc2ccccc2o1)N(C)CCCC#N ZINC000044089879 639572741 /nfs/dbraw/zinc/57/27/41/639572741.db2.gz PYBHJAHQTPXTNA-GFCCVEGCSA-N 0 3 242.322 3.729 20 30 BHEDHN C=CCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007417 411143095 /nfs/dbraw/zinc/14/30/95/411143095.db2.gz MBBXYIUQDHNMII-JTQLQIEISA-N 0 3 209.720 3.519 20 30 BHEDHN C=CCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000045007420 411143025 /nfs/dbraw/zinc/14/30/25/411143025.db2.gz MBBXYIUQDHNMII-SNVBAGLBSA-N 0 3 209.720 3.519 20 30 BHEDHN C=C(C)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007534 411143056 /nfs/dbraw/zinc/14/30/56/411143056.db2.gz CDZHHHIMSZYNQY-NSHDSACASA-N 0 3 223.747 3.909 20 30 BHEDHN C=C(C)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000045007537 411143019 /nfs/dbraw/zinc/14/30/19/411143019.db2.gz CDZHHHIMSZYNQY-LLVKDONJSA-N 0 3 223.747 3.909 20 30 BHEDHN CC1(NCc2ccc(C#N)cc2F)CCCCC1 ZINC000045045802 384665212 /nfs/dbraw/zinc/66/52/12/384665212.db2.gz YSVYDPCMSRNGPG-UHFFFAOYSA-N 0 3 246.329 3.510 20 30 BHEDHN CC(C)CCN(Cc1ccccc1C#N)C1CC1 ZINC000045751711 387722044 /nfs/dbraw/zinc/72/20/44/387722044.db2.gz VVONHCYCNADOEU-UHFFFAOYSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@@H](c1ccc(Cl)cc1)N(C)CCCC#N ZINC000045915464 176014254 /nfs/dbraw/zinc/01/42/54/176014254.db2.gz WAHBOACAHUFPIM-NSHDSACASA-N 0 3 236.746 3.637 20 30 BHEDHN C[C@H](c1ccc(Cl)cc1)N(C)CCCC#N ZINC000045915466 177033151 /nfs/dbraw/zinc/03/31/51/177033151.db2.gz WAHBOACAHUFPIM-LLVKDONJSA-N 0 3 236.746 3.637 20 30 BHEDHN CCc1ccc(CN(CCCC#N)C2CC2)cc1 ZINC000045944358 368434154 /nfs/dbraw/zinc/43/41/54/368434154.db2.gz WQHICKWCPKGHAW-UHFFFAOYSA-N 0 3 242.366 3.517 20 30 BHEDHN C=CCN(C)Cc1csc2ccccc12 ZINC000046089600 368436139 /nfs/dbraw/zinc/43/61/39/368436139.db2.gz QAOYLCYBGFZYJT-UHFFFAOYSA-N 0 3 217.337 3.519 20 30 BHEDHN C=C(C)CN(C)Cc1csc2ccccc12 ZINC000046089610 359753223 /nfs/dbraw/zinc/75/32/23/359753223.db2.gz MGRXDIMDCPMMLJ-UHFFFAOYSA-N 0 3 231.364 3.909 20 30 BHEDHN CCCN(CC=C(C)C)Cc1ccc(C#N)cc1 ZINC000047740251 343565468 /nfs/dbraw/zinc/56/54/68/343565468.db2.gz QKLPENDBXBGINM-UHFFFAOYSA-N 0 3 242.366 3.736 20 30 BHEDHN CC(C)CN(Cc1cc(C#N)ccc1F)C(C)C ZINC000047833917 356265771 /nfs/dbraw/zinc/26/57/71/356265771.db2.gz KBNRYNRCLZOFEA-UHFFFAOYSA-N 0 3 248.345 3.564 20 30 BHEDHN CC(C)CN(Cc1ccc(C#N)cc1F)C(C)C ZINC000047878697 358605034 /nfs/dbraw/zinc/60/50/34/358605034.db2.gz XYXMMIXZFBPHIQ-UHFFFAOYSA-N 0 3 248.345 3.564 20 30 BHEDHN C=C(C)CN[C@H](C)c1cc(C)sc1C ZINC000047944009 384668727 /nfs/dbraw/zinc/66/87/27/384668727.db2.gz KWXRJDQUQBHKID-SNVBAGLBSA-N 0 3 209.358 3.592 20 30 BHEDHN C=C(C)CN[C@@H](C)c1cc(C)sc1C ZINC000047944011 384668550 /nfs/dbraw/zinc/66/85/50/384668550.db2.gz KWXRJDQUQBHKID-JTQLQIEISA-N 0 3 209.358 3.592 20 30 BHEDHN CCCCCN(Cc1ccccc1C#N)C(C)C ZINC000048231342 342933459 /nfs/dbraw/zinc/93/34/59/342933459.db2.gz GLCGGMHVWZLUPA-UHFFFAOYSA-N 0 3 244.382 3.959 20 30 BHEDHN CCC(C)(C)C1CCC(NC[C@@H](C)C#N)CC1 ZINC000048484547 168269973 /nfs/dbraw/zinc/26/99/73/168269973.db2.gz WTRBTGVGZGUXPG-HSBZDZAISA-N 0 3 236.403 3.731 20 30 BHEDHN CCC(C)(C)C1CCC(NC[C@H](C)C#N)CC1 ZINC000048484549 168270212 /nfs/dbraw/zinc/27/02/12/168270212.db2.gz WTRBTGVGZGUXPG-IYXRBSQSSA-N 0 3 236.403 3.731 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccccc1Cl ZINC000049855292 188219108 /nfs/dbraw/zinc/21/91/08/188219108.db2.gz GAFNEDKWSFKXAO-JTQLQIEISA-N 0 3 209.720 3.567 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccccc1Cl ZINC000049855294 188219128 /nfs/dbraw/zinc/21/91/28/188219128.db2.gz GAFNEDKWSFKXAO-SNVBAGLBSA-N 0 3 209.720 3.567 20 30 BHEDHN C=C(C)CN[C@H](C)c1cccc(Cl)c1 ZINC000049855298 386656713 /nfs/dbraw/zinc/65/67/13/386656713.db2.gz UUCBZYNUTCMABB-SNVBAGLBSA-N 0 3 209.720 3.567 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000049855300 386667133 /nfs/dbraw/zinc/66/71/33/386667133.db2.gz OJMIBXILIZBWCJ-JTQLQIEISA-N 0 3 209.720 3.567 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccc(Cl)cc1 ZINC000049855303 386656812 /nfs/dbraw/zinc/65/68/12/386656812.db2.gz OJMIBXILIZBWCJ-SNVBAGLBSA-N 0 3 209.720 3.567 20 30 BHEDHN CN(CCCC#N)Cc1ccc2ccccc2c1 ZINC000049967903 350269391 /nfs/dbraw/zinc/26/93/91/350269391.db2.gz DDKPCUMGBORVER-UHFFFAOYSA-N 0 3 238.334 3.575 20 30 BHEDHN Cc1ccc([C@@H](C)NCC#Cc2ccccc2)cc1 ZINC000051814342 384706715 /nfs/dbraw/zinc/70/67/15/384706715.db2.gz NPUWNHLADVAKCO-MRXNPFEDSA-N 0 3 249.357 3.697 20 30 BHEDHN Cc1ccc([C@H](C)NCC#Cc2ccccc2)cc1 ZINC000051814343 322851933 /nfs/dbraw/zinc/85/19/33/322851933.db2.gz NPUWNHLADVAKCO-INIZCTEOSA-N 0 3 249.357 3.697 20 30 BHEDHN CN(CCCC#N)Cc1cccc2ccccc21 ZINC000051993076 134385252 /nfs/dbraw/zinc/38/52/52/134385252.db2.gz QKNFEMJCLDRLMR-UHFFFAOYSA-N 0 3 238.334 3.575 20 30 BHEDHN C=C(C)CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000052047825 355759685 /nfs/dbraw/zinc/75/96/85/355759685.db2.gz ZBMMOZKBHHEWIL-UHFFFAOYSA-N 0 3 243.272 3.713 20 30 BHEDHN N#CCCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000052075834 350931928 /nfs/dbraw/zinc/93/19/28/350931928.db2.gz LBIQUJIOACJDSL-UHFFFAOYSA-N 0 3 248.757 3.608 20 30 BHEDHN C=C(C)CN(Cc1ccco1)C1CCCC1 ZINC000052076982 350908130 /nfs/dbraw/zinc/90/81/30/350908130.db2.gz MQYUNEQYVNTBCS-UHFFFAOYSA-N 0 3 219.328 3.600 20 30 BHEDHN C=C(C)CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162184 350936379 /nfs/dbraw/zinc/93/63/79/350936379.db2.gz RYAOHJMBLJPNEN-NSHDSACASA-N 0 3 223.747 3.909 20 30 BHEDHN C=C(C)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC000052162185 355761300 /nfs/dbraw/zinc/76/13/00/355761300.db2.gz RYAOHJMBLJPNEN-LLVKDONJSA-N 0 3 223.747 3.909 20 30 BHEDHN C=CCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162217 343632765 /nfs/dbraw/zinc/63/27/65/343632765.db2.gz CSPVLAJDFSMZMZ-JTQLQIEISA-N 0 3 209.720 3.519 20 30 BHEDHN C=CCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000052162218 350958369 /nfs/dbraw/zinc/95/83/69/350958369.db2.gz CSPVLAJDFSMZMZ-SNVBAGLBSA-N 0 3 209.720 3.519 20 30 BHEDHN C[C@@H](c1cccc(Cl)c1)N(C)CCCC#N ZINC000052162378 134385085 /nfs/dbraw/zinc/38/50/85/134385085.db2.gz MYHQLGNZRWEMDP-NSHDSACASA-N 0 3 236.746 3.637 20 30 BHEDHN C[C@H](c1cccc(Cl)c1)N(C)CCCC#N ZINC000052162379 134385164 /nfs/dbraw/zinc/38/51/64/134385164.db2.gz MYHQLGNZRWEMDP-LLVKDONJSA-N 0 3 236.746 3.637 20 30 BHEDHN C[C@H](NCc1ccccc1C#N)C1CCCCC1 ZINC000052338278 322854619 /nfs/dbraw/zinc/85/46/19/322854619.db2.gz OENLNKGLLCJFQO-ZDUSSCGKSA-N 0 3 242.366 3.617 20 30 BHEDHN C[C@@H](NCc1ccccc1C#N)C1CCCCC1 ZINC000052338279 322854458 /nfs/dbraw/zinc/85/44/58/322854458.db2.gz OENLNKGLLCJFQO-CYBMUJFWSA-N 0 3 242.366 3.617 20 30 BHEDHN C=C(C)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000052455141 351002592 /nfs/dbraw/zinc/00/25/92/351002592.db2.gz BHPJCFNOJJRQLC-CQSZACIVSA-N 0 3 219.303 3.539 20 30 BHEDHN C=C(C)CN1CCC[C@H]1c1cccc(F)c1 ZINC000052455142 351002673 /nfs/dbraw/zinc/00/26/73/351002673.db2.gz BHPJCFNOJJRQLC-AWEZNQCLSA-N 0 3 219.303 3.539 20 30 BHEDHN C=CCN(CC=C)Cc1ccc(SC)cc1 ZINC000052868468 351074435 /nfs/dbraw/zinc/07/44/35/351074435.db2.gz NPIUWWYKLIBTNP-UHFFFAOYSA-N 0 3 233.380 3.583 20 30 BHEDHN CCCCCN(CCC#N)CCCCC ZINC000052889964 358236177 /nfs/dbraw/zinc/23/61/77/358236177.db2.gz QGDLYOJSSSYLFP-UHFFFAOYSA-N 0 3 210.365 3.582 20 30 BHEDHN C=C(C)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000052921250 488022778 /nfs/dbraw/zinc/02/27/78/488022778.db2.gz RKAUWLFEAUDQOA-UHFFFAOYSA-N 0 3 243.272 3.713 20 30 BHEDHN CC(C)c1ccc(CN(C)CCCC#N)cc1 ZINC000052922698 134386061 /nfs/dbraw/zinc/38/60/61/134386061.db2.gz OBASEOVKSBAYLR-UHFFFAOYSA-N 0 3 230.355 3.546 20 30 BHEDHN CN(CCCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000052922912 358248473 /nfs/dbraw/zinc/24/84/73/358248473.db2.gz XATSBOQPOOXJMP-UHFFFAOYSA-N 0 3 244.382 3.720 20 30 BHEDHN CCN(CCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000053088400 358808057 /nfs/dbraw/zinc/80/80/57/358808057.db2.gz JSPDYQIGUARWKA-LBPRGKRZSA-N 0 3 234.318 3.512 20 30 BHEDHN CCN(CCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000053088401 358807633 /nfs/dbraw/zinc/80/76/33/358807633.db2.gz JSPDYQIGUARWKA-GFCCVEGCSA-N 0 3 234.318 3.512 20 30 BHEDHN C=C(C)CN1CCc2sccc2[C@H]1CC ZINC000053139828 353247494 /nfs/dbraw/zinc/24/74/94/353247494.db2.gz FDNLLFXBPGJXJQ-GFCCVEGCSA-N 0 3 221.369 3.633 20 30 BHEDHN C=C(C)CN1CCc2sccc2[C@@H]1CC ZINC000053139832 355836503 /nfs/dbraw/zinc/83/65/03/355836503.db2.gz FDNLLFXBPGJXJQ-LBPRGKRZSA-N 0 3 221.369 3.633 20 30 BHEDHN C[C@H](C#N)CN[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000054181127 176553770 /nfs/dbraw/zinc/55/37/70/176553770.db2.gz VWTNMBFUVFIYHP-FVQBIDKESA-N 0 3 248.414 3.875 20 30 BHEDHN C[C@H](C#N)CN[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000054181130 385598746 /nfs/dbraw/zinc/59/87/46/385598746.db2.gz VWTNMBFUVFIYHP-BMFZPTHFSA-N 0 3 248.414 3.875 20 30 BHEDHN CC[C@@H](CC#N)NC(CC(C)C)CC(C)C ZINC000054182734 397972603 /nfs/dbraw/zinc/97/26/03/397972603.db2.gz LLKAOYLRTQALDT-ZDUSSCGKSA-N 0 3 224.392 3.729 20 30 BHEDHN CC[C@H](CC#N)NC(CC(C)C)CC(C)C ZINC000054182736 322857007 /nfs/dbraw/zinc/85/70/07/322857007.db2.gz LLKAOYLRTQALDT-CYBMUJFWSA-N 0 3 224.392 3.729 20 30 BHEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1cccc(C)c1 ZINC000054184001 535726106 /nfs/dbraw/zinc/72/61/06/535726106.db2.gz LMAWIAISEKHFDX-HOCLYGCPSA-N 0 3 244.382 3.598 20 30 BHEDHN CC[C@H](CC#N)N[C@@H](C)CCc1cccc(C)c1 ZINC000054184002 134387571 /nfs/dbraw/zinc/38/75/71/134387571.db2.gz LMAWIAISEKHFDX-GOEBONIOSA-N 0 3 244.382 3.598 20 30 BHEDHN CC[C@@H](CC#N)N[C@H](C)CCc1cccc(C)c1 ZINC000054184003 535726762 /nfs/dbraw/zinc/72/67/62/535726762.db2.gz LMAWIAISEKHFDX-ZBFHGGJFSA-N 0 3 244.382 3.598 20 30 BHEDHN CC[C@H](CC#N)N[C@H](C)CCc1cccc(C)c1 ZINC000054184004 134387300 /nfs/dbraw/zinc/38/73/00/134387300.db2.gz LMAWIAISEKHFDX-GDBMZVCRSA-N 0 3 244.382 3.598 20 30 BHEDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1ccccc1C#N ZINC000055386561 176079438 /nfs/dbraw/zinc/07/94/38/176079438.db2.gz CAEUMDWDJWYMQV-CJNGLKHVSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@H]1CCCC[C@@H]1N(C)Cc1ccccc1C#N ZINC000055386567 177081207 /nfs/dbraw/zinc/08/12/07/177081207.db2.gz CAEUMDWDJWYMQV-BBRMVZONSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@@H]1CCCC[C@H]1N(C)Cc1ccccc1C#N ZINC000055386569 176086949 /nfs/dbraw/zinc/08/69/49/176086949.db2.gz CAEUMDWDJWYMQV-CZUORRHYSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@H]1CCCC[C@H]1N(C)Cc1ccccc1C#N ZINC000055386571 177087066 /nfs/dbraw/zinc/08/70/66/177087066.db2.gz CAEUMDWDJWYMQV-XJKSGUPXSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@H](N(C)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000055481935 388599056 /nfs/dbraw/zinc/59/90/56/388599056.db2.gz NKRIXTZSDLOVMK-NSHDSACASA-N 0 3 248.345 3.564 20 30 BHEDHN C[C@@H](N(C)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000055481937 388598459 /nfs/dbraw/zinc/59/84/59/388598459.db2.gz NKRIXTZSDLOVMK-LLVKDONJSA-N 0 3 248.345 3.564 20 30 BHEDHN C[C@H](N(C)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000055481938 388598590 /nfs/dbraw/zinc/59/85/90/388598590.db2.gz YXWSRCOVYJCFLI-NSHDSACASA-N 0 3 248.345 3.564 20 30 BHEDHN C[C@@H](N(C)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000055481943 388578036 /nfs/dbraw/zinc/57/80/36/388578036.db2.gz YXWSRCOVYJCFLI-LLVKDONJSA-N 0 3 248.345 3.564 20 30 BHEDHN C=C(C)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506465 411399465 /nfs/dbraw/zinc/39/94/65/411399465.db2.gz SDFWAWFHJJYPER-CQSZACIVSA-N 0 3 219.303 3.539 20 30 BHEDHN C=C(C)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000055506468 411399799 /nfs/dbraw/zinc/39/97/99/411399799.db2.gz SDFWAWFHJJYPER-AWEZNQCLSA-N 0 3 219.303 3.539 20 30 BHEDHN C=CCN(CCCC)Cc1cccs1 ZINC000057621008 488061362 /nfs/dbraw/zinc/06/13/62/488061362.db2.gz RTZIYWSIZCOJLG-UHFFFAOYSA-N 0 3 209.358 3.536 20 30 BHEDHN C=CCN(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000057621525 487579306 /nfs/dbraw/zinc/57/93/06/487579306.db2.gz ZDNHXPZJRWXRBQ-UHFFFAOYSA-N 0 3 229.367 3.960 20 30 BHEDHN CC[C@@H]1c2ccsc2CCN1CCCCC#N ZINC000057626281 368497991 /nfs/dbraw/zinc/49/79/91/368497991.db2.gz MWTVLODBDIELJY-CYBMUJFWSA-N 0 3 248.395 3.751 20 30 BHEDHN CC[C@H]1c2ccsc2CCN1CCCCC#N ZINC000057626285 368498330 /nfs/dbraw/zinc/49/83/30/368498330.db2.gz MWTVLODBDIELJY-ZDUSSCGKSA-N 0 3 248.395 3.751 20 30 BHEDHN C=C(C)CN1CCC[C@H]1c1ccc(OCC)cc1 ZINC000057626531 487584506 /nfs/dbraw/zinc/58/45/06/487584506.db2.gz UHPQQVQXZCNDOG-INIZCTEOSA-N 0 3 245.366 3.798 20 30 BHEDHN C=C(C)CN1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000057626533 487583223 /nfs/dbraw/zinc/58/32/23/487583223.db2.gz UHPQQVQXZCNDOG-MRXNPFEDSA-N 0 3 245.366 3.798 20 30 BHEDHN C=C(Br)CN(CC(C)C)CC(C)C ZINC000057753634 640633930 /nfs/dbraw/zinc/63/39/30/640633930.db2.gz CBALTDANIJKZKO-UHFFFAOYSA-N 0 3 248.208 3.509 20 30 BHEDHN CC(C)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000057907133 535371433 /nfs/dbraw/zinc/37/14/33/535371433.db2.gz OFMKAJGEDKQXGV-UHFFFAOYSA-N 0 3 242.366 3.546 20 30 BHEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1CCC#N ZINC000058523933 368513297 /nfs/dbraw/zinc/51/32/97/368513297.db2.gz DCEFVGSTDBKCAM-HZPDHXFCSA-N 0 3 242.366 3.558 20 30 BHEDHN CCCCCCCN[C@@H](C)c1ccccn1 ZINC000059090600 534988119 /nfs/dbraw/zinc/98/81/19/534988119.db2.gz RBYPAZLCYJDVBG-ZDUSSCGKSA-N 0 3 220.360 3.703 20 30 BHEDHN CCCCCCCN[C@H](C)c1ccccn1 ZINC000059090601 534987308 /nfs/dbraw/zinc/98/73/08/534987308.db2.gz RBYPAZLCYJDVBG-CYBMUJFWSA-N 0 3 220.360 3.703 20 30 BHEDHN CCCCCCCC[NH2+]Cc1ccccc1[O-] ZINC000059111328 711831573 /nfs/dbraw/zinc/83/15/73/711831573.db2.gz PDGHEZXMKHAHRY-UHFFFAOYSA-N 0 3 235.371 3.842 20 30 BHEDHN N#Cc1ccc(CN2CCCCCC2)c(Cl)c1 ZINC000059422219 354835466 /nfs/dbraw/zinc/83/54/66/354835466.db2.gz GGSVFULPSIGHTB-UHFFFAOYSA-N 0 3 248.757 3.588 20 30 BHEDHN CCN(CC=C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000060477457 324037048 /nfs/dbraw/zinc/03/70/48/324037048.db2.gz SDTKBGVRAMNSQK-CQSZACIVSA-N 0 3 242.366 3.907 20 30 BHEDHN CCC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC000060941629 369567537 /nfs/dbraw/zinc/56/75/37/369567537.db2.gz WZODUIXAAGNNHZ-UHFFFAOYSA-N 0 3 242.366 3.570 20 30 BHEDHN CCC1(C)CCN(Cc2ccccc2C#N)CC1 ZINC000060941645 369568353 /nfs/dbraw/zinc/56/83/53/369568353.db2.gz CBKXGWZOAPWYPN-UHFFFAOYSA-N 0 3 242.366 3.570 20 30 BHEDHN CCC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC000060941660 369568795 /nfs/dbraw/zinc/56/87/95/369568795.db2.gz FVVDEUJGIQONMJ-UHFFFAOYSA-N 0 3 242.366 3.570 20 30 BHEDHN C=CCN(CCC)Cc1ccc(Cl)s1 ZINC000060961520 409980627 /nfs/dbraw/zinc/98/06/27/409980627.db2.gz AXDXCAOKPXIDOA-UHFFFAOYSA-N 0 3 229.776 3.800 20 30 BHEDHN C=CCN(Cc1cccc(Cl)c1)C(C)C ZINC000061255048 411151911 /nfs/dbraw/zinc/15/19/11/411151911.db2.gz CYKWTYCBNHAJPM-UHFFFAOYSA-N 0 3 223.747 3.736 20 30 BHEDHN C[C@@H](c1ccccc1F)N(C)CCCCC#N ZINC000061559618 134393506 /nfs/dbraw/zinc/39/35/06/134393506.db2.gz QIPGMCVUTANLFD-LBPRGKRZSA-N 0 3 234.318 3.512 20 30 BHEDHN C[C@H](c1ccccc1F)N(C)CCCCC#N ZINC000061559620 134393131 /nfs/dbraw/zinc/39/31/31/134393131.db2.gz QIPGMCVUTANLFD-GFCCVEGCSA-N 0 3 234.318 3.512 20 30 BHEDHN C=C(C)CN(CC)Cc1cccc(Cl)c1 ZINC000061758531 349403061 /nfs/dbraw/zinc/40/30/61/349403061.db2.gz YOAADOCFMSGALC-UHFFFAOYSA-N 0 3 223.747 3.738 20 30 BHEDHN C=C(C)CN(CC)CCOc1c(C)cccc1C ZINC000061758547 369844184 /nfs/dbraw/zinc/84/41/84/369844184.db2.gz BULKKVFVWNQTGW-UHFFFAOYSA-N 0 3 247.382 3.580 20 30 BHEDHN C=C(C)CN(CC)CCOc1cc(C)cc(C)c1 ZINC000061758653 345780147 /nfs/dbraw/zinc/78/01/47/345780147.db2.gz PYFLVHLCBZKCQS-UHFFFAOYSA-N 0 3 247.382 3.580 20 30 BHEDHN C=C(C)CN(CC)Cc1ccc(SC)cc1 ZINC000061758717 353530734 /nfs/dbraw/zinc/53/07/34/353530734.db2.gz FPGATOPQXJDJPC-UHFFFAOYSA-N 0 3 235.396 3.807 20 30 BHEDHN C=C(C)CN(CC)C/C=C/c1ccccc1 ZINC000061758718 343118411 /nfs/dbraw/zinc/11/84/11/343118411.db2.gz VTHSXSYOCRAMLK-DHZHZOJOSA-N 0 3 215.340 3.598 20 30 BHEDHN C=CCN(C)C(c1ccccc1)c1ccccc1 ZINC000061758789 349402997 /nfs/dbraw/zinc/40/29/97/349402997.db2.gz IKMYYVOQLIAYDC-UHFFFAOYSA-N 0 3 237.346 3.894 20 30 BHEDHN C=CCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000061780603 369850146 /nfs/dbraw/zinc/85/01/46/369850146.db2.gz FWSMNBLQJJLEPZ-UHFFFAOYSA-N 0 3 217.356 3.602 20 30 BHEDHN C=C(Cl)CNCC[C@H](C)c1ccccc1 ZINC000061910558 641006709 /nfs/dbraw/zinc/00/67/09/641006709.db2.gz WAPZTZXFTICBSK-NSHDSACASA-N 0 3 223.747 3.522 20 30 BHEDHN C=C(Cl)CNCC[C@@H](C)c1ccccc1 ZINC000061910559 641005923 /nfs/dbraw/zinc/00/59/23/641005923.db2.gz WAPZTZXFTICBSK-LLVKDONJSA-N 0 3 223.747 3.522 20 30 BHEDHN CCCCCN(CCC#N)[C@@H](C)CCC ZINC000063608827 388663566 /nfs/dbraw/zinc/66/35/66/388663566.db2.gz BBBZKYZAGWKCKW-ZDUSSCGKSA-N 0 3 210.365 3.581 20 30 BHEDHN Cc1ccc([C@@H]2CCCN2CCCC#N)cc1C ZINC000063619542 387293603 /nfs/dbraw/zinc/29/36/03/387293603.db2.gz HUCXWCBICDXGCF-INIZCTEOSA-N 0 3 242.366 3.744 20 30 BHEDHN CC(C)=CCN(Cc1ccc(C#N)cc1)C(C)C ZINC000063750863 323162384 /nfs/dbraw/zinc/16/23/84/323162384.db2.gz ZMYIVUIYFJAGOK-UHFFFAOYSA-N 0 3 242.366 3.735 20 30 BHEDHN C=CCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249466 368603655 /nfs/dbraw/zinc/60/36/55/368603655.db2.gz OUFMUTOXBFSYOJ-CYBMUJFWSA-N 0 3 235.758 3.533 20 30 BHEDHN C=CCN(C)Cc1ccc(SC(F)F)cc1 ZINC000064571650 636058459 /nfs/dbraw/zinc/05/84/59/636058459.db2.gz CYPIOYGSAJEANZ-UHFFFAOYSA-N 0 3 243.322 3.619 20 30 BHEDHN C=CCN(CC=C)Cc1c(C)cc(C)cc1C ZINC000065040898 368618017 /nfs/dbraw/zinc/61/80/17/368618017.db2.gz NTZXCKDECQRSSN-UHFFFAOYSA-N 0 3 229.367 3.786 20 30 BHEDHN Cc1ccc(CN(CCCC#N)C(C)C)s1 ZINC000065161995 368618082 /nfs/dbraw/zinc/61/80/82/368618082.db2.gz JFNNLUYQGZKOAR-UHFFFAOYSA-N 0 3 236.384 3.571 20 30 BHEDHN CCN(Cc1cc(C#N)ccc1F)[C@@H](C)C(C)C ZINC000065298640 388676697 /nfs/dbraw/zinc/67/66/97/388676697.db2.gz JEKLBCIICBUOBR-LBPRGKRZSA-N 0 3 248.345 3.564 20 30 BHEDHN C=CCN(CC=C(C)C)CCc1ccccc1 ZINC000065959637 368636441 /nfs/dbraw/zinc/63/64/41/368636441.db2.gz NZCDDPISNVSUTD-UHFFFAOYSA-N 0 3 229.367 3.683 20 30 BHEDHN CCCCCN(CCC#N)[C@H](C)CCC ZINC000067984044 383966185 /nfs/dbraw/zinc/96/61/85/383966185.db2.gz BBBZKYZAGWKCKW-CYBMUJFWSA-N 0 3 210.365 3.581 20 30 BHEDHN Cc1ccc([C@H]2CCCN2CCCC#N)cc1C ZINC000067984939 387097033 /nfs/dbraw/zinc/09/70/33/387097033.db2.gz HUCXWCBICDXGCF-MRXNPFEDSA-N 0 3 242.366 3.744 20 30 BHEDHN CC(C)N(Cc1ccccc1C#N)C1CCCC1 ZINC000068449172 384891267 /nfs/dbraw/zinc/89/12/67/384891267.db2.gz QMZJYGFNBSNVOY-UHFFFAOYSA-N 0 3 242.366 3.711 20 30 BHEDHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1CCC#N ZINC000069679575 368758041 /nfs/dbraw/zinc/75/80/41/368758041.db2.gz DCEFVGSTDBKCAM-HOTGVXAUSA-N 0 3 242.366 3.558 20 30 BHEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1CCC#N ZINC000069679577 368757333 /nfs/dbraw/zinc/75/73/33/368757333.db2.gz DCEFVGSTDBKCAM-CVEARBPZSA-N 0 3 242.366 3.558 20 30 BHEDHN CC[C@@H](c1ccccc1)[C@H]1CCCN1CCC#N ZINC000069679580 368757793 /nfs/dbraw/zinc/75/77/93/368757793.db2.gz DCEFVGSTDBKCAM-JKSUJKDBSA-N 0 3 242.366 3.558 20 30 BHEDHN C#CCCN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000069768246 642902954 /nfs/dbraw/zinc/90/29/54/642902954.db2.gz OXFXTUVYWOUBIT-VIFPVBQESA-N 0 3 242.149 3.667 20 30 BHEDHN C#CCCN[C@H](C)c1cc(Cl)ccc1Cl ZINC000069768247 642904706 /nfs/dbraw/zinc/90/47/06/642904706.db2.gz OXFXTUVYWOUBIT-SECBINFHSA-N 0 3 242.149 3.667 20 30 BHEDHN C=CCN(Cc1cc(C)no1)CC1CCCCC1 ZINC000069860136 343944111 /nfs/dbraw/zinc/94/41/11/343944111.db2.gz LPJZKQRORLSRIB-UHFFFAOYSA-N 0 3 248.370 3.551 20 30 BHEDHN C=CCN(Cc1cccnc1)CC1CCCCC1 ZINC000070015774 368760747 /nfs/dbraw/zinc/76/07/47/368760747.db2.gz AFIWFSSIFMLAHB-UHFFFAOYSA-N 0 3 244.382 3.650 20 30 BHEDHN C=CCN(Cc1ccccn1)CC1CCCCC1 ZINC000070015922 371002824 /nfs/dbraw/zinc/00/28/24/371002824.db2.gz YNXSJTFGXVEABQ-UHFFFAOYSA-N 0 3 244.382 3.650 20 30 BHEDHN C#CCCN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000070159409 642979588 /nfs/dbraw/zinc/97/95/88/642979588.db2.gz MBUCJBVFORZDIK-VIFPVBQESA-N 0 3 242.149 3.667 20 30 BHEDHN C#CCCN[C@H](C)c1ccc(Cl)cc1Cl ZINC000070159410 642979414 /nfs/dbraw/zinc/97/94/14/642979414.db2.gz MBUCJBVFORZDIK-SECBINFHSA-N 0 3 242.149 3.667 20 30 BHEDHN CC(C)CC[C@@H](C)NCc1ccc(C#N)cc1F ZINC000070186165 323172133 /nfs/dbraw/zinc/17/21/33/323172133.db2.gz QIANGGUSKNECRD-GFCCVEGCSA-N 0 3 248.345 3.612 20 30 BHEDHN CC(C)CC[C@H](C)NCc1ccc(C#N)cc1F ZINC000070186166 323172092 /nfs/dbraw/zinc/17/20/92/323172092.db2.gz QIANGGUSKNECRD-LBPRGKRZSA-N 0 3 248.345 3.612 20 30 BHEDHN C=CCCN[C@@H](C)c1ccccc1Cl ZINC000070591991 323202368 /nfs/dbraw/zinc/20/23/68/323202368.db2.gz YHKXVZKSFVFCDO-JTQLQIEISA-N 0 3 209.720 3.567 20 30 BHEDHN C=CCCN[C@H](C)c1ccccc1Cl ZINC000070591992 323202379 /nfs/dbraw/zinc/20/23/79/323202379.db2.gz YHKXVZKSFVFCDO-SNVBAGLBSA-N 0 3 209.720 3.567 20 30 BHEDHN C=CCCCN[C@@H](C)c1ccccc1Cl ZINC000070591993 323202451 /nfs/dbraw/zinc/20/24/51/323202451.db2.gz JUDARWHYKCKJEG-NSHDSACASA-N 0 3 223.747 3.957 20 30 BHEDHN C=CCCCN[C@H](C)c1ccccc1Cl ZINC000070591994 323202376 /nfs/dbraw/zinc/20/23/76/323202376.db2.gz JUDARWHYKCKJEG-LLVKDONJSA-N 0 3 223.747 3.957 20 30 BHEDHN C=CCCNC(c1ccccc1)c1ccccc1 ZINC000071275403 325064312 /nfs/dbraw/zinc/06/43/12/325064312.db2.gz AITBFWJXLPEWII-UHFFFAOYSA-N 0 3 237.346 3.942 20 30 BHEDHN CCCCCCCNCc1nc2ccccc2o1 ZINC000071341705 645888918 /nfs/dbraw/zinc/88/89/18/645888918.db2.gz IJNXXLGAHQAANG-UHFFFAOYSA-N 0 3 246.354 3.888 20 30 BHEDHN C=CCCCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072666117 368776966 /nfs/dbraw/zinc/77/69/66/368776966.db2.gz QDWNGWFVPDKDRM-LBPRGKRZSA-N 0 3 248.326 3.554 20 30 BHEDHN C=CCCCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072666118 368777100 /nfs/dbraw/zinc/77/71/00/368777100.db2.gz QDWNGWFVPDKDRM-GFCCVEGCSA-N 0 3 248.326 3.554 20 30 BHEDHN C=C(C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000073432230 364228472 /nfs/dbraw/zinc/22/84/72/364228472.db2.gz SQODMXBXNFBXGQ-JTQLQIEISA-N 0 3 225.282 3.534 20 30 BHEDHN C=C(C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000073432232 364228841 /nfs/dbraw/zinc/22/88/41/364228841.db2.gz SQODMXBXNFBXGQ-SNVBAGLBSA-N 0 3 225.282 3.534 20 30 BHEDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(CCCC#N)C1 ZINC000075842794 359226939 /nfs/dbraw/zinc/22/69/39/359226939.db2.gz UKAZKYHVZQYCMF-IUODEOHRSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@H]1C[C@H](c2cccc(F)c2)N(CCCC#N)C1 ZINC000075842795 359227212 /nfs/dbraw/zinc/22/72/12/359227212.db2.gz UKAZKYHVZQYCMF-SWLSCSKDSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(CCCC#N)C1 ZINC000075842796 359226539 /nfs/dbraw/zinc/22/65/39/359226539.db2.gz UKAZKYHVZQYCMF-DOMZBBRYSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@H]1C[C@@H](c2cccc(F)c2)N(CCCC#N)C1 ZINC000075842797 359227031 /nfs/dbraw/zinc/22/70/31/359227031.db2.gz UKAZKYHVZQYCMF-WFASDCNBSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@@H]1C[C@H](c2ccccc2F)N(CCCC#N)C1 ZINC000075900216 359247191 /nfs/dbraw/zinc/24/71/91/359247191.db2.gz VADRZNQMXXOLCW-IUODEOHRSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@H]1C[C@H](c2ccccc2F)N(CCCC#N)C1 ZINC000075900218 359246960 /nfs/dbraw/zinc/24/69/60/359246960.db2.gz VADRZNQMXXOLCW-SWLSCSKDSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@@H]1C[C@@H](c2ccccc2F)N(CCCC#N)C1 ZINC000075900219 359247160 /nfs/dbraw/zinc/24/71/60/359247160.db2.gz VADRZNQMXXOLCW-DOMZBBRYSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@H]1C[C@@H](c2ccccc2F)N(CCCC#N)C1 ZINC000075900220 359247205 /nfs/dbraw/zinc/24/72/05/359247205.db2.gz VADRZNQMXXOLCW-WFASDCNBSA-N 0 3 246.329 3.512 20 30 BHEDHN C=CCNC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000076692951 344031637 /nfs/dbraw/zinc/03/16/37/344031637.db2.gz XSRGUNSMPVKXHS-UHFFFAOYSA-N 0 3 243.272 3.716 20 30 BHEDHN C=C(C)CN1CCCCC[C@@H]1c1ccco1 ZINC000076804360 370356095 /nfs/dbraw/zinc/35/60/95/370356095.db2.gz ZWQCLUSCUGIZSN-CYBMUJFWSA-N 0 3 219.328 3.773 20 30 BHEDHN C=C(C)CN1CCCCC[C@H]1c1ccco1 ZINC000076804364 370356056 /nfs/dbraw/zinc/35/60/56/370356056.db2.gz ZWQCLUSCUGIZSN-ZDUSSCGKSA-N 0 3 219.328 3.773 20 30 BHEDHN CC(C)(C)[C@H](NCCCC#N)c1ccccc1 ZINC000077409818 135066262 /nfs/dbraw/zinc/06/62/62/135066262.db2.gz CXORGMGZKXJUQJ-CQSZACIVSA-N 0 3 230.355 3.667 20 30 BHEDHN CC(C)(C)[C@@H](NCCCC#N)c1ccccc1 ZINC000077409819 535056243 /nfs/dbraw/zinc/05/62/43/535056243.db2.gz CXORGMGZKXJUQJ-AWEZNQCLSA-N 0 3 230.355 3.667 20 30 BHEDHN C=CCN(CCCCC)Cc1cccc(C#N)c1 ZINC000078775013 370599632 /nfs/dbraw/zinc/59/96/32/370599632.db2.gz LSACBXPNEXAFCE-UHFFFAOYSA-N 0 3 242.366 3.736 20 30 BHEDHN N#CCCCN1CCCCC[C@H]1c1ccco1 ZINC000078830682 181036142 /nfs/dbraw/zinc/03/61/42/181036142.db2.gz STLYBWXCOIRBLA-ZDUSSCGKSA-N 0 3 232.327 3.500 20 30 BHEDHN N#CCCCN1CCCCC[C@@H]1c1ccco1 ZINC000078830694 181036200 /nfs/dbraw/zinc/03/62/00/181036200.db2.gz STLYBWXCOIRBLA-CYBMUJFWSA-N 0 3 232.327 3.500 20 30 BHEDHN CC[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000079054280 388689902 /nfs/dbraw/zinc/68/99/02/388689902.db2.gz ZIYUDJXIQFLSBR-CQSZACIVSA-N 0 3 242.366 3.570 20 30 BHEDHN CC[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000079054283 388689191 /nfs/dbraw/zinc/68/91/91/388689191.db2.gz ZIYUDJXIQFLSBR-AWEZNQCLSA-N 0 3 242.366 3.570 20 30 BHEDHN CC[C@@H](CC#N)N[C@H]1CCC[C@@H](CC)CC1 ZINC000083435772 343601713 /nfs/dbraw/zinc/60/17/13/343601713.db2.gz XTJQRJOCTLMAGV-RDBSUJKOSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@@H](CC#N)N[C@@H]1CCC[C@@H](CC)CC1 ZINC000083435774 343602178 /nfs/dbraw/zinc/60/21/78/343602178.db2.gz XTJQRJOCTLMAGV-HZSPNIEDSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@@H](CC#N)N[C@@H]1CCCC(C)(C)CC1 ZINC000083435776 343602192 /nfs/dbraw/zinc/60/21/92/343602192.db2.gz UTUQEKYJYVWXDO-QWHCGFSZSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CCCC(C)(C)CC1 ZINC000083435777 343602188 /nfs/dbraw/zinc/60/21/88/343602188.db2.gz UTUQEKYJYVWXDO-CHWSQXEVSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@@H](CC#N)N[C@H]1CCCC(C)(C)CC1 ZINC000083435778 343601673 /nfs/dbraw/zinc/60/16/73/343601673.db2.gz UTUQEKYJYVWXDO-STQMWFEESA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CCCC(C)(C)CC1 ZINC000083435779 343602172 /nfs/dbraw/zinc/60/21/72/343602172.db2.gz UTUQEKYJYVWXDO-OLZOCXBDSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@H](NCCC(C)(C)C#N)c1cccs1 ZINC000083638566 387418479 /nfs/dbraw/zinc/41/84/79/387418479.db2.gz LRJGFUHYLLLMFL-NSHDSACASA-N 0 3 236.384 3.729 20 30 BHEDHN CC[C@@H](NCCC(C)(C)C#N)c1cccs1 ZINC000083638567 387417606 /nfs/dbraw/zinc/41/76/06/387417606.db2.gz LRJGFUHYLLLMFL-LLVKDONJSA-N 0 3 236.384 3.729 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cccc(Cl)c1 ZINC000085057704 387470934 /nfs/dbraw/zinc/47/09/34/387470934.db2.gz JBCMOLAISDEMEJ-NSHDSACASA-N 0 3 223.747 3.957 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cccc(Cl)c1 ZINC000085057708 387471459 /nfs/dbraw/zinc/47/14/59/387471459.db2.gz JBCMOLAISDEMEJ-LLVKDONJSA-N 0 3 223.747 3.957 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cc(C)sc1C ZINC000085057952 387471016 /nfs/dbraw/zinc/47/10/16/387471016.db2.gz GQFIZCQLDMCBJJ-NSHDSACASA-N 0 3 223.385 3.982 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cc(C)sc1C ZINC000085057955 387470815 /nfs/dbraw/zinc/47/08/15/387470815.db2.gz GQFIZCQLDMCBJJ-LLVKDONJSA-N 0 3 223.385 3.982 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccccc1Cl ZINC000085057964 322924256 /nfs/dbraw/zinc/92/42/56/322924256.db2.gz JOIAPPDFKRBSQN-NSHDSACASA-N 0 3 223.747 3.957 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccccc1Cl ZINC000085057967 387471510 /nfs/dbraw/zinc/47/15/10/387471510.db2.gz JOIAPPDFKRBSQN-LLVKDONJSA-N 0 3 223.747 3.957 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000085057969 387470922 /nfs/dbraw/zinc/47/09/22/387470922.db2.gz ZCTDZGPWXWBHBQ-NSHDSACASA-N 0 3 223.747 3.957 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc(Cl)cc1 ZINC000085057971 387470837 /nfs/dbraw/zinc/47/08/37/387470837.db2.gz ZCTDZGPWXWBHBQ-LLVKDONJSA-N 0 3 223.747 3.957 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cc(C)oc1C ZINC000085058171 384481045 /nfs/dbraw/zinc/48/10/45/384481045.db2.gz QUUVKIZPQHVRLM-NSHDSACASA-N 0 3 207.317 3.513 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cc(C)oc1C ZINC000085058175 384479859 /nfs/dbraw/zinc/47/98/59/384479859.db2.gz QUUVKIZPQHVRLM-LLVKDONJSA-N 0 3 207.317 3.513 20 30 BHEDHN C=C(CC)CN[C@@H]1CCCc2sccc21 ZINC000085058454 534419879 /nfs/dbraw/zinc/41/98/79/534419879.db2.gz WXCBXSZMMVWPRG-GFCCVEGCSA-N 0 3 221.369 3.681 20 30 BHEDHN C=C(CC)CN[C@H]1CCCc2sccc21 ZINC000085058457 534420330 /nfs/dbraw/zinc/42/03/30/534420330.db2.gz WXCBXSZMMVWPRG-LBPRGKRZSA-N 0 3 221.369 3.681 20 30 BHEDHN C=C(C)[C@@H](NCCC)c1ccc(F)c(F)c1 ZINC000086026057 387514507 /nfs/dbraw/zinc/51/45/07/387514507.db2.gz YGOBRIBQYFTTHL-CYBMUJFWSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(C)[C@H](NCCC)c1ccc(F)c(F)c1 ZINC000086026061 387513564 /nfs/dbraw/zinc/51/35/64/387513564.db2.gz YGOBRIBQYFTTHL-ZDUSSCGKSA-N 0 3 225.282 3.582 20 30 BHEDHN C[C@@H](NCc1cc(C#N)cs1)c1cccs1 ZINC000086500129 388368290 /nfs/dbraw/zinc/36/82/90/388368290.db2.gz XTWKVNSANSIUIC-SECBINFHSA-N 0 3 248.376 3.532 20 30 BHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000086958183 385059622 /nfs/dbraw/zinc/05/96/22/385059622.db2.gz LQFGXXMQBUQRAA-HZSPNIEDSA-N 0 3 236.403 3.731 20 30 BHEDHN C[C@H](C#N)CN[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000086958186 388693981 /nfs/dbraw/zinc/69/39/81/388693981.db2.gz LQFGXXMQBUQRAA-RDBSUJKOSA-N 0 3 236.403 3.731 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000087369073 384922455 /nfs/dbraw/zinc/92/24/55/384922455.db2.gz BGEOBFVVIUYPEU-LBPRGKRZSA-N 0 3 221.319 3.751 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000087369077 256523323 /nfs/dbraw/zinc/52/33/23/256523323.db2.gz BGEOBFVVIUYPEU-GFCCVEGCSA-N 0 3 221.319 3.751 20 30 BHEDHN Cc1ccccc1[C@@H](C)NCCC(C)(C)C#N ZINC000087591724 136211916 /nfs/dbraw/zinc/21/19/16/136211916.db2.gz FOQMUTBUKWWPEI-CYBMUJFWSA-N 0 3 230.355 3.586 20 30 BHEDHN Cc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1 ZINC000087591767 136211922 /nfs/dbraw/zinc/21/19/22/136211922.db2.gz PIAGCHWMXCSXAJ-CYBMUJFWSA-N 0 3 230.355 3.586 20 30 BHEDHN Cc1ccc([C@H](C)NCCC(C)(C)C#N)cc1 ZINC000087591768 136211931 /nfs/dbraw/zinc/21/19/31/136211931.db2.gz PIAGCHWMXCSXAJ-ZDUSSCGKSA-N 0 3 230.355 3.586 20 30 BHEDHN CC[C@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000087591901 535899054 /nfs/dbraw/zinc/89/90/54/535899054.db2.gz BHHYKVHNIXVCEQ-AWEZNQCLSA-N 0 3 230.355 3.667 20 30 BHEDHN CC[C@@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000087591902 535803412 /nfs/dbraw/zinc/80/34/12/535803412.db2.gz BHHYKVHNIXVCEQ-CQSZACIVSA-N 0 3 230.355 3.667 20 30 BHEDHN CC(C)N(CCC(C)(C)C#N)Cc1ccccc1 ZINC000087595036 384398165 /nfs/dbraw/zinc/39/81/65/384398165.db2.gz SLWNUKUDSVNYHE-UHFFFAOYSA-N 0 3 244.382 3.837 20 30 BHEDHN CCN(CCC(C)(C)C#N)Cc1cccs1 ZINC000087595283 383851453 /nfs/dbraw/zinc/85/14/53/383851453.db2.gz LFSFCNRGERXKRA-UHFFFAOYSA-N 0 3 236.384 3.510 20 30 BHEDHN CC(C)(C#N)CCN(Cc1cccs1)C1CC1 ZINC000087595314 534985659 /nfs/dbraw/zinc/98/56/59/534985659.db2.gz UXZWGAPSROWGAK-UHFFFAOYSA-N 0 3 248.395 3.652 20 30 BHEDHN C[C@@H](c1cccs1)N(C)CCC(C)(C)C#N ZINC000087595329 383851626 /nfs/dbraw/zinc/85/16/26/383851626.db2.gz ULYNAJPRRMZLRR-NSHDSACASA-N 0 3 236.384 3.681 20 30 BHEDHN C[C@H](c1cccs1)N(C)CCC(C)(C)C#N ZINC000087595331 383850106 /nfs/dbraw/zinc/85/01/06/383850106.db2.gz ULYNAJPRRMZLRR-LLVKDONJSA-N 0 3 236.384 3.681 20 30 BHEDHN C[C@@H]1c2ccsc2CCN1CCC(C)(C)C#N ZINC000087595452 383851861 /nfs/dbraw/zinc/85/18/61/383851861.db2.gz IWEPXKGTRUHWHX-LLVKDONJSA-N 0 3 248.395 3.607 20 30 BHEDHN C[C@H]1c2ccsc2CCN1CCC(C)(C)C#N ZINC000087595453 383851952 /nfs/dbraw/zinc/85/19/52/383851952.db2.gz IWEPXKGTRUHWHX-NSHDSACASA-N 0 3 248.395 3.607 20 30 BHEDHN CN(CCCC(C)(C)C#N)Cc1cccc(F)c1 ZINC000087608449 383854130 /nfs/dbraw/zinc/85/41/30/383854130.db2.gz BLWUSFUDNYRDCJ-UHFFFAOYSA-N 0 3 248.345 3.587 20 30 BHEDHN CN(CCCC(C)(C)C#N)Cc1cccs1 ZINC000087608476 383853680 /nfs/dbraw/zinc/85/36/80/383853680.db2.gz MZUOAHKHOHEYFW-UHFFFAOYSA-N 0 3 236.384 3.510 20 30 BHEDHN CN(CCCC(C)(C)C#N)Cc1ccsc1 ZINC000087608477 355403009 /nfs/dbraw/zinc/40/30/09/355403009.db2.gz QJDJMUMOYRJQLK-UHFFFAOYSA-N 0 3 236.384 3.510 20 30 BHEDHN CN(CCCC(C)(C)C#N)Cc1ccccc1F ZINC000087608522 383853307 /nfs/dbraw/zinc/85/33/07/383853307.db2.gz VJMTYAAVELZMEW-UHFFFAOYSA-N 0 3 248.345 3.587 20 30 BHEDHN CC1(C)CCCN(Cc2ccccc2C#N)CC1 ZINC000087657811 355696939 /nfs/dbraw/zinc/69/69/39/355696939.db2.gz PKFLKHMVFUPZCG-UHFFFAOYSA-N 0 3 242.366 3.570 20 30 BHEDHN CC[C@@H](CC#N)N[C@@H](C)C1CCCCCC1 ZINC000088169145 398293791 /nfs/dbraw/zinc/29/37/91/398293791.db2.gz SHSTWWYZQHDCLB-JSGCOSHPSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@H](CC#N)N[C@@H](C)C1CCCCCC1 ZINC000088169146 398293750 /nfs/dbraw/zinc/29/37/50/398293750.db2.gz SHSTWWYZQHDCLB-GXTWGEPZSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@@H](CC#N)N[C@H](C)C1CCCCCC1 ZINC000088169240 398294090 /nfs/dbraw/zinc/29/40/90/398294090.db2.gz SHSTWWYZQHDCLB-OCCSQVGLSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@H](CC#N)N[C@H](C)C1CCCCCC1 ZINC000088169241 384264191 /nfs/dbraw/zinc/26/41/91/384264191.db2.gz SHSTWWYZQHDCLB-TZMCWYRMSA-N 0 3 222.376 3.627 20 30 BHEDHN CCCCCCCCN(CC)C[C@@H](C)C#N ZINC000088204060 644512677 /nfs/dbraw/zinc/51/26/77/644512677.db2.gz COVKLNJXQUSGJD-AWEZNQCLSA-N 0 3 224.392 3.828 20 30 BHEDHN CCCCCCCCN(CC)C[C@H](C)C#N ZINC000088204061 644513358 /nfs/dbraw/zinc/51/33/58/644513358.db2.gz COVKLNJXQUSGJD-CQSZACIVSA-N 0 3 224.392 3.828 20 30 BHEDHN CCc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000088249671 359942662 /nfs/dbraw/zinc/94/26/62/359942662.db2.gz ASZHBFDBPIOYSO-CYBMUJFWSA-N 0 3 242.366 3.593 20 30 BHEDHN CCc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000088249672 359942860 /nfs/dbraw/zinc/94/28/60/359942860.db2.gz ASZHBFDBPIOYSO-ZDUSSCGKSA-N 0 3 242.366 3.593 20 30 BHEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(Cl)c1 ZINC000088249685 359942418 /nfs/dbraw/zinc/94/24/18/359942418.db2.gz FONIXVUWOLOWAR-NSHDSACASA-N 0 3 248.757 3.684 20 30 BHEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(Cl)c1 ZINC000088249686 359942670 /nfs/dbraw/zinc/94/26/70/359942670.db2.gz FONIXVUWOLOWAR-LLVKDONJSA-N 0 3 248.757 3.684 20 30 BHEDHN Cc1cc([C@@H](C)NCC2(CC#N)CC2)c(C)s1 ZINC000088249750 359942100 /nfs/dbraw/zinc/94/21/00/359942100.db2.gz JRPIZPJOQIYUAZ-LLVKDONJSA-N 0 3 248.395 3.709 20 30 BHEDHN Cc1cc([C@H](C)NCC2(CC#N)CC2)c(C)s1 ZINC000088249751 359942550 /nfs/dbraw/zinc/94/25/50/359942550.db2.gz JRPIZPJOQIYUAZ-NSHDSACASA-N 0 3 248.395 3.709 20 30 BHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000088249756 359942938 /nfs/dbraw/zinc/94/29/38/359942938.db2.gz XUFQFYNSXALXJM-NSHDSACASA-N 0 3 248.757 3.684 20 30 BHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000088249757 359942807 /nfs/dbraw/zinc/94/28/07/359942807.db2.gz XUFQFYNSXALXJM-LLVKDONJSA-N 0 3 248.757 3.684 20 30 BHEDHN CC(C)c1ccc(CNCC2(CC#N)CC2)cc1 ZINC000088249836 359942886 /nfs/dbraw/zinc/94/28/86/359942886.db2.gz GJGDCCBOKWUPBP-UHFFFAOYSA-N 0 3 242.366 3.593 20 30 BHEDHN CC(C)N(Cc1ccccc1)CC1(CC#N)CC1 ZINC000088259223 356646219 /nfs/dbraw/zinc/64/62/19/356646219.db2.gz LFGHEEWSNVEIBH-UHFFFAOYSA-N 0 3 242.366 3.591 20 30 BHEDHN CC(C)N(Cc1cccs1)CC1(CC#N)CC1 ZINC000088259369 356647613 /nfs/dbraw/zinc/64/76/13/356647613.db2.gz RYYXAYVBNHRAEY-UHFFFAOYSA-N 0 3 248.395 3.652 20 30 BHEDHN CC[C@@H](C)C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000088297371 387012010 /nfs/dbraw/zinc/01/20/10/387012010.db2.gz PEKRPIRNPCFRLK-VXGBXAGGSA-N 0 3 248.345 3.612 20 30 BHEDHN CC[C@H](C)C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000088297372 387012631 /nfs/dbraw/zinc/01/26/31/387012631.db2.gz PEKRPIRNPCFRLK-NWDGAFQWSA-N 0 3 248.345 3.612 20 30 BHEDHN CC[C@@H](C)C[C@H](C)NCc1ccc(C#N)cc1F ZINC000088297373 387011612 /nfs/dbraw/zinc/01/16/12/387011612.db2.gz PEKRPIRNPCFRLK-NEPJUHHUSA-N 0 3 248.345 3.612 20 30 BHEDHN CC[C@H](C)C[C@H](C)NCc1ccc(C#N)cc1F ZINC000088297374 322999329 /nfs/dbraw/zinc/99/93/29/322999329.db2.gz PEKRPIRNPCFRLK-RYUDHWBXSA-N 0 3 248.345 3.612 20 30 BHEDHN C=C(C)COCCN[C@H](C)c1ccc(C)cc1C ZINC000090450705 384821322 /nfs/dbraw/zinc/82/13/22/384821322.db2.gz XZZLXDGPVXKGFO-OAHLLOKOSA-N 0 3 247.382 3.547 20 30 BHEDHN C=C(C)COCCN[C@@H](C)c1ccc(C)cc1C ZINC000090450706 384821931 /nfs/dbraw/zinc/82/19/31/384821931.db2.gz XZZLXDGPVXKGFO-HNNXBMFYSA-N 0 3 247.382 3.547 20 30 BHEDHN C=C(C)COCCN[C@H](C)c1ccc(C)c(C)c1 ZINC000090451129 384821722 /nfs/dbraw/zinc/82/17/22/384821722.db2.gz XLQMEGAJHDVFGM-OAHLLOKOSA-N 0 3 247.382 3.547 20 30 BHEDHN C=C(C)COCCN[C@@H](C)c1ccc(C)c(C)c1 ZINC000090451130 384823188 /nfs/dbraw/zinc/82/31/88/384823188.db2.gz XLQMEGAJHDVFGM-HNNXBMFYSA-N 0 3 247.382 3.547 20 30 BHEDHN C=C(C)COCCN[C@H](C)c1cccc(C)c1C ZINC000090451450 388747506 /nfs/dbraw/zinc/74/75/06/388747506.db2.gz MYINABPVPHZKPU-OAHLLOKOSA-N 0 3 247.382 3.547 20 30 BHEDHN C=C(C)COCCN[C@@H](C)c1cccc(C)c1C ZINC000090451451 325676825 /nfs/dbraw/zinc/67/68/25/325676825.db2.gz MYINABPVPHZKPU-HNNXBMFYSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCCOCCN[C@H](C)c1ccc(C)cc1C ZINC000090883432 383908457 /nfs/dbraw/zinc/90/84/57/383908457.db2.gz WVQUTQMDYQXNKE-OAHLLOKOSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCCOCCN[C@@H](C)c1ccc(C)cc1C ZINC000090883433 322964362 /nfs/dbraw/zinc/96/43/62/322964362.db2.gz WVQUTQMDYQXNKE-HNNXBMFYSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCCOCCN[C@H](C)c1cc(C)cc(C)c1 ZINC000090883448 322964392 /nfs/dbraw/zinc/96/43/92/322964392.db2.gz JTDCUUKOLXJEKZ-OAHLLOKOSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCCOCCN[C@@H](C)c1cc(C)cc(C)c1 ZINC000090883449 322964354 /nfs/dbraw/zinc/96/43/54/322964354.db2.gz JTDCUUKOLXJEKZ-HNNXBMFYSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCCOCCN[C@H](C)c1ccc(C)c(C)c1 ZINC000090883767 322964352 /nfs/dbraw/zinc/96/43/52/322964352.db2.gz VKWQPQUVPCUXGQ-OAHLLOKOSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCCOCCN[C@@H](C)c1ccc(C)c(C)c1 ZINC000090883768 383908514 /nfs/dbraw/zinc/90/85/14/383908514.db2.gz VKWQPQUVPCUXGQ-HNNXBMFYSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCCOCCN[C@H](C)c1cccc(C)c1C ZINC000090884065 325681199 /nfs/dbraw/zinc/68/11/99/325681199.db2.gz YJSSSBLBQOHJOP-OAHLLOKOSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCCOCCN[C@@H](C)c1cccc(C)c1C ZINC000090884066 388752891 /nfs/dbraw/zinc/75/28/91/388752891.db2.gz YJSSSBLBQOHJOP-HNNXBMFYSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCCC[C@H](C)N(C)CCC(F)(F)F ZINC000091553645 345597705 /nfs/dbraw/zinc/59/77/05/345597705.db2.gz KXCGQRVLSVIOBF-JTQLQIEISA-N 0 3 223.282 3.615 20 30 BHEDHN C=CCCC[C@@H](C)N(C)CCC(F)(F)F ZINC000091553646 345598558 /nfs/dbraw/zinc/59/85/58/345598558.db2.gz KXCGQRVLSVIOBF-SNVBAGLBSA-N 0 3 223.282 3.615 20 30 BHEDHN C=C[C@H](C)N[C@@H](CC)c1cc(C)ccc1OC ZINC000091736065 345604031 /nfs/dbraw/zinc/60/40/31/345604031.db2.gz IDBZIQACYBYSJU-JSGCOSHPSA-N 0 3 233.355 3.619 20 30 BHEDHN C=C[C@H](C)N[C@H](CC)c1cc(C)ccc1OC ZINC000091736067 345604215 /nfs/dbraw/zinc/60/42/15/345604215.db2.gz IDBZIQACYBYSJU-GXTWGEPZSA-N 0 3 233.355 3.619 20 30 BHEDHN C=C[C@@H](C)N[C@@H](CC)c1cc(C)ccc1OC ZINC000091736071 345604282 /nfs/dbraw/zinc/60/42/82/345604282.db2.gz IDBZIQACYBYSJU-OCCSQVGLSA-N 0 3 233.355 3.619 20 30 BHEDHN C=C[C@@H](C)N[C@H](CC)c1cc(C)ccc1OC ZINC000091736073 345604163 /nfs/dbraw/zinc/60/41/63/345604163.db2.gz IDBZIQACYBYSJU-TZMCWYRMSA-N 0 3 233.355 3.619 20 30 BHEDHN CC(C)(C)C[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000092644208 371107999 /nfs/dbraw/zinc/10/79/99/371107999.db2.gz RJGBNZNMJNLATB-LBPRGKRZSA-N 0 3 246.354 3.552 20 30 BHEDHN CC(C)(C)C[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000092644209 371108453 /nfs/dbraw/zinc/10/84/53/371108453.db2.gz RJGBNZNMJNLATB-GFCCVEGCSA-N 0 3 246.354 3.552 20 30 BHEDHN CN(CCC1CCCCC1)Cc1ccc(C#N)o1 ZINC000092784464 259351123 /nfs/dbraw/zinc/35/11/23/259351123.db2.gz CGNXOHYITLGJSC-UHFFFAOYSA-N 0 3 246.354 3.553 20 30 BHEDHN CC(C)CCN(CCC#N)CC(C)(C)CCC#N ZINC000093100964 360218545 /nfs/dbraw/zinc/21/85/45/360218545.db2.gz NWNDNIRBAGIVDC-UHFFFAOYSA-N 0 3 249.402 3.578 20 30 BHEDHN CCC(CC)CN(CCC#N)C1CCCC1 ZINC000093101058 388826529 /nfs/dbraw/zinc/82/65/29/388826529.db2.gz VAWNHIRIYJHOPH-UHFFFAOYSA-N 0 3 222.376 3.581 20 30 BHEDHN CC(C)(C)CN(CCC#N)C[C@H]1CC=CCC1 ZINC000093101111 360218037 /nfs/dbraw/zinc/21/80/37/360218037.db2.gz WISHGTVJMGIHQV-AWEZNQCLSA-N 0 3 234.387 3.604 20 30 BHEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CC=CCC1 ZINC000093101112 360218718 /nfs/dbraw/zinc/21/87/18/360218718.db2.gz WISHGTVJMGIHQV-CQSZACIVSA-N 0 3 234.387 3.604 20 30 BHEDHN CC(C)(C)CN(CCC#N)CC(C)(C)CCC#N ZINC000093101311 360218700 /nfs/dbraw/zinc/21/87/00/360218700.db2.gz HMFPXRBXVUQAPC-UHFFFAOYSA-N 0 3 249.402 3.578 20 30 BHEDHN CC[C@@H](C)[C@@H](C)N(Cc1ccc(C#N)o1)C1CC1 ZINC000093132139 388740203 /nfs/dbraw/zinc/74/02/03/388740203.db2.gz FSMJQYKVYSXXBU-VXGBXAGGSA-N 0 3 246.354 3.550 20 30 BHEDHN CC[C@H](C)[C@@H](C)N(Cc1ccc(C#N)o1)C1CC1 ZINC000093132140 171361893 /nfs/dbraw/zinc/36/18/93/171361893.db2.gz FSMJQYKVYSXXBU-NWDGAFQWSA-N 0 3 246.354 3.550 20 30 BHEDHN CC[C@@H](C)[C@H](C)N(Cc1ccc(C#N)o1)C1CC1 ZINC000093132141 170788352 /nfs/dbraw/zinc/78/83/52/170788352.db2.gz FSMJQYKVYSXXBU-NEPJUHHUSA-N 0 3 246.354 3.550 20 30 BHEDHN CC[C@H](C)[C@H](C)N(Cc1ccc(C#N)o1)C1CC1 ZINC000093132142 171385830 /nfs/dbraw/zinc/38/58/30/171385830.db2.gz FSMJQYKVYSXXBU-RYUDHWBXSA-N 0 3 246.354 3.550 20 30 BHEDHN C=CCCCCCN(C)Cc1ncccc1C ZINC000093175502 388827477 /nfs/dbraw/zinc/82/74/77/388827477.db2.gz BRVUTIFVPXSRED-UHFFFAOYSA-N 0 3 232.371 3.568 20 30 BHEDHN CC[C@@H](C)CN(CC)Cc1cc(C#N)ccc1F ZINC000093250952 386935954 /nfs/dbraw/zinc/93/59/54/386935954.db2.gz OOCOPMWXDWUMFO-GFCCVEGCSA-N 0 3 248.345 3.565 20 30 BHEDHN CC[C@H](C)CN(CC)Cc1cc(C#N)ccc1F ZINC000093250953 386934486 /nfs/dbraw/zinc/93/44/86/386934486.db2.gz OOCOPMWXDWUMFO-LBPRGKRZSA-N 0 3 248.345 3.565 20 30 BHEDHN CC[C@@H](C)CN(CC)Cc1ccc(C#N)cc1F ZINC000093250990 323169461 /nfs/dbraw/zinc/16/94/61/323169461.db2.gz LPCBZQAHADJYSP-GFCCVEGCSA-N 0 3 248.345 3.565 20 30 BHEDHN CC[C@H](C)CN(CC)Cc1ccc(C#N)cc1F ZINC000093250991 323169452 /nfs/dbraw/zinc/16/94/52/323169452.db2.gz LPCBZQAHADJYSP-LBPRGKRZSA-N 0 3 248.345 3.565 20 30 BHEDHN CC(C)[C@@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000093444167 411242268 /nfs/dbraw/zinc/24/22/68/411242268.db2.gz BIJOIGHUZXCXNP-AWEZNQCLSA-N 0 3 248.395 3.630 20 30 BHEDHN CC(C)[C@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000093444168 371172655 /nfs/dbraw/zinc/17/26/55/371172655.db2.gz BIJOIGHUZXCXNP-CQSZACIVSA-N 0 3 248.395 3.630 20 30 BHEDHN CC[C@]1(C)CCCN(Cc2cc(C#N)cs2)C1 ZINC000093459059 371172531 /nfs/dbraw/zinc/17/25/31/371172531.db2.gz QPYKBXGVGPGQJQ-CQSZACIVSA-N 0 3 248.395 3.632 20 30 BHEDHN CC[C@@]1(C)CCCN(Cc2cc(C#N)cs2)C1 ZINC000093459060 371172936 /nfs/dbraw/zinc/17/29/36/371172936.db2.gz QPYKBXGVGPGQJQ-AWEZNQCLSA-N 0 3 248.395 3.632 20 30 BHEDHN C=CCCCCCN(C)Cc1cccc(O)c1 ZINC000093498045 388840161 /nfs/dbraw/zinc/84/01/61/388840161.db2.gz IBGMZUDQJVOQEM-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=CCCCCCN(C)Cc1cccnc1C ZINC000093498063 360250721 /nfs/dbraw/zinc/25/07/21/360250721.db2.gz OHFMOXTULJIMHF-UHFFFAOYSA-N 0 3 232.371 3.568 20 30 BHEDHN C=CCCCCCN(C)Cc1scnc1C ZINC000093498065 353488112 /nfs/dbraw/zinc/48/81/12/353488112.db2.gz UJVGYMMYQCOMQE-UHFFFAOYSA-N 0 3 238.400 3.630 20 30 BHEDHN C=CCCCCCN(C)Cc1cc(C#N)cs1 ZINC000093498068 388840753 /nfs/dbraw/zinc/84/07/53/388840753.db2.gz MILJSQZHDXQMFV-UHFFFAOYSA-N 0 3 248.395 3.798 20 30 BHEDHN CN(Cc1ccc(C#N)o1)C1CCC(C)(C)CC1 ZINC000093508345 371176462 /nfs/dbraw/zinc/17/64/62/371176462.db2.gz XRXYWMGVARODMV-UHFFFAOYSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC[C@]1(C)CCCN(Cc2ccc(C#N)o2)C1 ZINC000093509057 371176223 /nfs/dbraw/zinc/17/62/23/371176223.db2.gz JUTXJKMRRGRUOW-OAHLLOKOSA-N 0 3 246.354 3.553 20 30 BHEDHN CCC[C@@]1(C)CCCN(Cc2ccc(C#N)o2)C1 ZINC000093509058 371175312 /nfs/dbraw/zinc/17/53/12/371175312.db2.gz JUTXJKMRRGRUOW-HNNXBMFYSA-N 0 3 246.354 3.553 20 30 BHEDHN C=CCCCN(C)Cc1cnc(C(C)C)s1 ZINC000093533544 534709839 /nfs/dbraw/zinc/70/98/39/534709839.db2.gz PHMRLEWLOIMWMO-UHFFFAOYSA-N 0 3 238.400 3.665 20 30 BHEDHN CC(C)C[C@@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000093642848 388745945 /nfs/dbraw/zinc/74/59/45/388745945.db2.gz LTJNLIRZJRISEB-ZDUSSCGKSA-N 0 3 246.354 3.552 20 30 BHEDHN CC(C)C[C@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000093642849 388745708 /nfs/dbraw/zinc/74/57/08/388745708.db2.gz LTJNLIRZJRISEB-CYBMUJFWSA-N 0 3 246.354 3.552 20 30 BHEDHN CC1(C)CCCN(Cc2cc(C#N)cs2)CC1 ZINC000093660325 371183951 /nfs/dbraw/zinc/18/39/51/371183951.db2.gz MYCKRMKANODMOM-UHFFFAOYSA-N 0 3 248.395 3.632 20 30 BHEDHN CCC[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000093704808 388747290 /nfs/dbraw/zinc/74/72/90/388747290.db2.gz UVSOOILGCXFSOD-GFCCVEGCSA-N 0 3 248.395 3.632 20 30 BHEDHN CCC[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000093704809 385821979 /nfs/dbraw/zinc/82/19/79/385821979.db2.gz UVSOOILGCXFSOD-LBPRGKRZSA-N 0 3 248.395 3.632 20 30 BHEDHN CCC[C@@H]1[C@H](C)CCCN1Cc1ccc(C#N)o1 ZINC000093740801 388850166 /nfs/dbraw/zinc/85/01/66/388850166.db2.gz DJRLXYFVRGBYEP-IUODEOHRSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC[C@H]1[C@H](C)CCCN1Cc1ccc(C#N)o1 ZINC000093740802 388746515 /nfs/dbraw/zinc/74/65/15/388746515.db2.gz DJRLXYFVRGBYEP-DOMZBBRYSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ccc(C#N)o1 ZINC000093740803 388747230 /nfs/dbraw/zinc/74/72/30/388747230.db2.gz DJRLXYFVRGBYEP-SWLSCSKDSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC[C@H]1[C@@H](C)CCCN1Cc1ccc(C#N)o1 ZINC000093740804 388747275 /nfs/dbraw/zinc/74/72/75/388747275.db2.gz DJRLXYFVRGBYEP-WFASDCNBSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000093809438 371187660 /nfs/dbraw/zinc/18/76/60/371187660.db2.gz RLEMDDDCSHIKCC-AWEZNQCLSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000093809439 371187453 /nfs/dbraw/zinc/18/74/53/371187453.db2.gz RLEMDDDCSHIKCC-CQSZACIVSA-N 0 3 246.354 3.552 20 30 BHEDHN CC(C)CC[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000093845061 371187815 /nfs/dbraw/zinc/18/78/15/371187815.db2.gz YNHXKBGDFYZYII-ZDUSSCGKSA-N 0 3 246.354 3.552 20 30 BHEDHN CC(C)CC[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000093845062 371187865 /nfs/dbraw/zinc/18/78/65/371187865.db2.gz YNHXKBGDFYZYII-CYBMUJFWSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC[C@@H](C)[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000093845174 384278210 /nfs/dbraw/zinc/27/82/10/384278210.db2.gz VDQHURRDFAGUKW-DOMZBBRYSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC[C@H](C)[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000093845175 388746631 /nfs/dbraw/zinc/74/66/31/388746631.db2.gz VDQHURRDFAGUKW-WFASDCNBSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC[C@@H](C)[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000093845176 388746372 /nfs/dbraw/zinc/74/63/72/388746372.db2.gz VDQHURRDFAGUKW-IUODEOHRSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC[C@H](C)[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000093845177 388746479 /nfs/dbraw/zinc/74/64/79/388746479.db2.gz VDQHURRDFAGUKW-SWLSCSKDSA-N 0 3 246.354 3.552 20 30 BHEDHN CCC1(CC)CCN(Cc2ccccc2C#N)C1 ZINC000094802944 363042654 /nfs/dbraw/zinc/04/26/54/363042654.db2.gz JIDJCZVLHGZWOB-UHFFFAOYSA-N 0 3 242.366 3.570 20 30 BHEDHN Cc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1F ZINC000094954950 386971814 /nfs/dbraw/zinc/97/18/14/386971814.db2.gz DRYQFBORXKWABA-GFCCVEGCSA-N 0 3 248.345 3.725 20 30 BHEDHN C=C(C)CN[C@@H](CC)c1cccc(Cl)c1 ZINC000096034161 386581060 /nfs/dbraw/zinc/58/10/60/386581060.db2.gz RUJZGFLGGBNTON-ZDUSSCGKSA-N 0 3 223.747 3.957 20 30 BHEDHN C=C(C)CN[C@H](CC)c1cccc(Cl)c1 ZINC000096034162 386579994 /nfs/dbraw/zinc/57/99/94/386579994.db2.gz RUJZGFLGGBNTON-CYBMUJFWSA-N 0 3 223.747 3.957 20 30 BHEDHN C=CCC[C@H](C)NCc1ccccc1Cl ZINC000096034248 166299431 /nfs/dbraw/zinc/29/94/31/166299431.db2.gz YAOKHWZRKNOTIP-NSHDSACASA-N 0 3 223.747 3.784 20 30 BHEDHN C=CCC[C@@H](C)NCc1ccccc1Cl ZINC000096034249 166295957 /nfs/dbraw/zinc/29/59/57/166295957.db2.gz YAOKHWZRKNOTIP-LLVKDONJSA-N 0 3 223.747 3.784 20 30 BHEDHN C=CCN(C)Cc1c2ccccc2oc1CC ZINC000096982376 360358802 /nfs/dbraw/zinc/35/88/02/360358802.db2.gz FXPBXWZGBQQIRA-UHFFFAOYSA-N 0 3 229.323 3.613 20 30 BHEDHN CC(C)(C)[C@H](NCCCC#N)c1ccc(F)cc1 ZINC000097079436 384495559 /nfs/dbraw/zinc/49/55/59/384495559.db2.gz CBWDZYITAPWGNA-CQSZACIVSA-N 0 3 248.345 3.806 20 30 BHEDHN CC(C)(C)[C@@H](NCCCC#N)c1ccc(F)cc1 ZINC000097079437 384494667 /nfs/dbraw/zinc/49/46/67/384494667.db2.gz CBWDZYITAPWGNA-AWEZNQCLSA-N 0 3 248.345 3.806 20 30 BHEDHN CCN(Cc1ccc(F)cc1C#N)[C@@H](C)C(C)C ZINC000103227114 358010692 /nfs/dbraw/zinc/01/06/92/358010692.db2.gz XNPXPVCRWMXFMR-LBPRGKRZSA-N 0 3 248.345 3.564 20 30 BHEDHN CCN(Cc1ccc(F)cc1C#N)[C@H](C)C(C)C ZINC000103227120 358011438 /nfs/dbraw/zinc/01/14/38/358011438.db2.gz XNPXPVCRWMXFMR-GFCCVEGCSA-N 0 3 248.345 3.564 20 30 BHEDHN CCCCCCCCNCc1nc(C)cs1 ZINC000103325488 633150276 /nfs/dbraw/zinc/15/02/76/633150276.db2.gz JTAJWTWLIYOEIE-UHFFFAOYSA-N 0 3 240.416 3.902 20 30 BHEDHN CCCCCCCNCc1nc(C)cs1 ZINC000103405973 585101673 /nfs/dbraw/zinc/10/16/73/585101673.db2.gz IOAOSHBXXCIRQG-UHFFFAOYSA-N 0 3 226.389 3.512 20 30 BHEDHN CCCCCCCNCc1csc(C)n1 ZINC000103517153 585331885 /nfs/dbraw/zinc/33/18/85/585331885.db2.gz JBEOEBJCUOCPMC-UHFFFAOYSA-N 0 3 226.389 3.512 20 30 BHEDHN CCCCCCCCNCc1csc(C)n1 ZINC000103517156 585331772 /nfs/dbraw/zinc/33/17/72/585331772.db2.gz OUKVKQPWHNQPFG-UHFFFAOYSA-N 0 3 240.416 3.902 20 30 BHEDHN CCCCCCCCNCc1nccs1 ZINC000103546536 633934407 /nfs/dbraw/zinc/93/44/07/633934407.db2.gz HPFXTWLNSGCKOK-UHFFFAOYSA-N 0 3 226.389 3.593 20 30 BHEDHN CCCCCCC[C@@H](C)NCc1nccs1 ZINC000104242684 587950589 /nfs/dbraw/zinc/95/05/89/587950589.db2.gz IGZXHZKGDNFATK-GFCCVEGCSA-N 0 3 240.416 3.982 20 30 BHEDHN CCCCCCC[C@H](C)NCc1nccs1 ZINC000104242686 587950551 /nfs/dbraw/zinc/95/05/51/587950551.db2.gz IGZXHZKGDNFATK-LBPRGKRZSA-N 0 3 240.416 3.982 20 30 BHEDHN N#CCCCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104704844 384837922 /nfs/dbraw/zinc/83/79/22/384837922.db2.gz MKSRVOCJNTUWCE-OAHLLOKOSA-N 0 3 246.329 3.560 20 30 BHEDHN N#CCCCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000104704846 384837794 /nfs/dbraw/zinc/83/77/94/384837794.db2.gz MKSRVOCJNTUWCE-HNNXBMFYSA-N 0 3 246.329 3.560 20 30 BHEDHN N#CCCCNC1(c2ccc(Cl)cc2)CCC1 ZINC000104707585 384838423 /nfs/dbraw/zinc/83/84/23/384838423.db2.gz NMDKMMVVWIJZNU-UHFFFAOYSA-N 0 3 248.757 3.613 20 30 BHEDHN CCCCCCCCNCc1c(C)noc1C ZINC000105807710 588224310 /nfs/dbraw/zinc/22/43/10/588224310.db2.gz QYPNYSFHNJDRPY-UHFFFAOYSA-N 0 3 238.375 3.742 20 30 BHEDHN CCCCCCC[NH2+]Cc1cccc(C)c1[O-] ZINC000106217310 588260090 /nfs/dbraw/zinc/26/00/90/588260090.db2.gz QRJJQCPZHOTUOW-UHFFFAOYSA-N 0 3 235.371 3.761 20 30 BHEDHN CCCCCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000106217313 588259916 /nfs/dbraw/zinc/25/99/16/588259916.db2.gz ITSJSIRUHQIRJO-UHFFFAOYSA-N 0 3 235.371 3.761 20 30 BHEDHN CCCCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000106222946 588260344 /nfs/dbraw/zinc/26/03/44/588260344.db2.gz GCUSBQHREJWVQJ-UHFFFAOYSA-N 0 3 239.334 3.591 20 30 BHEDHN CCCCCCCNCc1cccnc1Cl ZINC000106224889 588260392 /nfs/dbraw/zinc/26/03/92/588260392.db2.gz UUNAZOOYGZDEJQ-UHFFFAOYSA-N 0 3 240.778 3.795 20 30 BHEDHN CCCCCCCNCc1ccncc1Cl ZINC000106224897 592703907 /nfs/dbraw/zinc/70/39/07/592703907.db2.gz MFMWQSWXAOKSCC-UHFFFAOYSA-N 0 3 240.778 3.795 20 30 BHEDHN CCCCCCCNCc1ccc(C#N)cc1F ZINC000106239452 588260841 /nfs/dbraw/zinc/26/08/41/588260841.db2.gz UPEPEXYVBRWTQH-UHFFFAOYSA-N 0 3 248.345 3.757 20 30 BHEDHN C=CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108386176 368574625 /nfs/dbraw/zinc/57/46/25/368574625.db2.gz IUECPPLQYDJJDN-MRXNPFEDSA-N 0 3 240.350 3.881 20 30 BHEDHN C=CCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108386178 368574155 /nfs/dbraw/zinc/57/41/55/368574155.db2.gz IUECPPLQYDJJDN-INIZCTEOSA-N 0 3 240.350 3.881 20 30 BHEDHN C=C(CNCc1ccccc1F)c1ccccc1 ZINC000110057558 323112661 /nfs/dbraw/zinc/11/26/61/323112661.db2.gz AOQOAQWBEUOGQO-UHFFFAOYSA-N 0 3 241.309 3.629 20 30 BHEDHN C=C(CNCc1sccc1C)c1ccccc1 ZINC000110057613 323112752 /nfs/dbraw/zinc/11/27/52/323112752.db2.gz IPQRWMXKYZZUQE-UHFFFAOYSA-N 0 3 243.375 3.860 20 30 BHEDHN C=C(CNCc1ccsc1)c1ccccc1 ZINC000110057618 347359891 /nfs/dbraw/zinc/35/98/91/347359891.db2.gz OPWGHWCBJKWUDS-UHFFFAOYSA-N 0 3 229.348 3.551 20 30 BHEDHN C=C(CNCc1ccc(C)s1)c1ccccc1 ZINC000110057623 323112808 /nfs/dbraw/zinc/11/28/08/323112808.db2.gz BKWUYKNKHGRCDS-UHFFFAOYSA-N 0 3 243.375 3.860 20 30 BHEDHN C=C(CNCc1ccc(F)cc1)c1ccccc1 ZINC000110057647 323112795 /nfs/dbraw/zinc/11/27/95/323112795.db2.gz LPGXUHOPAXJGAQ-UHFFFAOYSA-N 0 3 241.309 3.629 20 30 BHEDHN C=C(CNCc1cccc(F)c1)c1ccccc1 ZINC000110057689 323112747 /nfs/dbraw/zinc/11/27/47/323112747.db2.gz BCDVKDFONOMRNM-UHFFFAOYSA-N 0 3 241.309 3.629 20 30 BHEDHN C=C(CNCc1ccccc1C)c1ccccc1 ZINC000110057697 323112658 /nfs/dbraw/zinc/11/26/58/323112658.db2.gz QSSNKYLOIZCNKF-UHFFFAOYSA-N 0 3 237.346 3.798 20 30 BHEDHN C=C(CNCc1ccc(C)cc1)c1ccccc1 ZINC000110057701 323112798 /nfs/dbraw/zinc/11/27/98/323112798.db2.gz OJGOCLYNYSOXOY-UHFFFAOYSA-N 0 3 237.346 3.798 20 30 BHEDHN C=C(CNCc1cccc(C)c1)c1ccccc1 ZINC000110057704 323112779 /nfs/dbraw/zinc/11/27/79/323112779.db2.gz JUPURZOSGGBGJY-UHFFFAOYSA-N 0 3 237.346 3.798 20 30 BHEDHN C=CC1CCN(c2ccnc3ccccc32)CC1 ZINC000110595621 323154056 /nfs/dbraw/zinc/15/40/56/323154056.db2.gz UZJIQZINTHOTAB-UHFFFAOYSA-N 0 3 238.334 3.637 20 30 BHEDHN CCCCCCCCN[C@@H](CC)CC#N ZINC000111865385 588772307 /nfs/dbraw/zinc/77/23/07/588772307.db2.gz JMRPACXAYSTITB-ZDUSSCGKSA-N 0 3 210.365 3.629 20 30 BHEDHN CCCCCCCCN[C@H](CC)CC#N ZINC000111865389 588772350 /nfs/dbraw/zinc/77/23/50/588772350.db2.gz JMRPACXAYSTITB-CYBMUJFWSA-N 0 3 210.365 3.629 20 30 BHEDHN C=C(Cl)CN(CC1CC1)C1CCCCC1 ZINC000112515026 588800733 /nfs/dbraw/zinc/80/07/33/588800733.db2.gz NTOGRCPELCDAJU-UHFFFAOYSA-N 0 3 227.779 3.784 20 30 BHEDHN CCCCCCCN[C@@H](C)c1nccs1 ZINC000112576365 588804363 /nfs/dbraw/zinc/80/43/63/588804363.db2.gz IHDURDDLMOITLH-NSHDSACASA-N 0 3 226.389 3.764 20 30 BHEDHN CCCCCCCN[C@H](C)c1nccs1 ZINC000112576367 588804273 /nfs/dbraw/zinc/80/42/73/588804273.db2.gz IHDURDDLMOITLH-LLVKDONJSA-N 0 3 226.389 3.764 20 30 BHEDHN CN(CCC(C)(C)C)Cc1cc(C#N)ccc1F ZINC000112696986 323171563 /nfs/dbraw/zinc/17/15/63/323171563.db2.gz CJQGFIOZFRNWDW-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN CCCCCCCCCN1CCC(C#N)CC1 ZINC000113368180 588838207 /nfs/dbraw/zinc/83/82/07/588838207.db2.gz NKKRNDVBOGESCU-UHFFFAOYSA-N 0 3 236.403 3.973 20 30 BHEDHN CCCCCCCCN1CCC(C#N)CC1 ZINC000114582076 588876034 /nfs/dbraw/zinc/87/60/34/588876034.db2.gz CNLBQPQOJGRSHI-UHFFFAOYSA-N 0 3 222.376 3.582 20 30 BHEDHN C=CC[C@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000116907712 323890231 /nfs/dbraw/zinc/89/02/31/323890231.db2.gz TXTVMQYYOHSWAB-UWVGGRQHSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000116907714 383944555 /nfs/dbraw/zinc/94/45/55/383944555.db2.gz TXTVMQYYOHSWAB-ZJUUUORDSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000116907716 323889732 /nfs/dbraw/zinc/88/97/32/323889732.db2.gz TXTVMQYYOHSWAB-VHSXEESVSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000116907718 323890144 /nfs/dbraw/zinc/89/01/44/323890144.db2.gz TXTVMQYYOHSWAB-NXEZZACHSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000116907853 323889844 /nfs/dbraw/zinc/88/98/44/323889844.db2.gz SZWBEYKPGXMGLW-QWRGUYRKSA-N 0 3 223.747 3.955 20 30 BHEDHN C=CC[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000116907855 323889792 /nfs/dbraw/zinc/88/97/92/323889792.db2.gz SZWBEYKPGXMGLW-MNOVXSKESA-N 0 3 223.747 3.955 20 30 BHEDHN C=CC[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000116907856 388074161 /nfs/dbraw/zinc/07/41/61/388074161.db2.gz SZWBEYKPGXMGLW-WDEREUQCSA-N 0 3 223.747 3.955 20 30 BHEDHN C=CC[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000116907858 323889648 /nfs/dbraw/zinc/88/96/48/323889648.db2.gz SZWBEYKPGXMGLW-GHMZBOCLSA-N 0 3 223.747 3.955 20 30 BHEDHN C=CC[C@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000116907895 388073897 /nfs/dbraw/zinc/07/38/97/388073897.db2.gz JROZMJKIKOLVFH-UWVGGRQHSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000116907897 388073357 /nfs/dbraw/zinc/07/33/57/388073357.db2.gz JROZMJKIKOLVFH-ZJUUUORDSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000116907899 388073812 /nfs/dbraw/zinc/07/38/12/388073812.db2.gz JROZMJKIKOLVFH-VHSXEESVSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000116907900 388073867 /nfs/dbraw/zinc/07/38/67/388073867.db2.gz JROZMJKIKOLVFH-NXEZZACHSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@H](C)NCc1c(F)cccc1Cl ZINC000116927444 385803151 /nfs/dbraw/zinc/80/31/51/385803151.db2.gz ITEFCHDMIYPPTB-VIFPVBQESA-N 0 3 227.710 3.533 20 30 BHEDHN C=CC[C@@H](C)NCc1c(F)cccc1Cl ZINC000116927446 385803268 /nfs/dbraw/zinc/80/32/68/385803268.db2.gz ITEFCHDMIYPPTB-SECBINFHSA-N 0 3 227.710 3.533 20 30 BHEDHN C=CCCCN(CC=C)Cc1cccc(C#N)c1 ZINC000117875126 388091961 /nfs/dbraw/zinc/09/19/61/388091961.db2.gz RVEWUJPZRORIOJ-UHFFFAOYSA-N 0 3 240.350 3.512 20 30 BHEDHN C=CCCCN(C)[C@H](C)c1sc(C)nc1C ZINC000117881150 344759565 /nfs/dbraw/zinc/75/95/65/344759565.db2.gz NCMUTYVFFQBWPU-LLVKDONJSA-N 0 3 238.400 3.719 20 30 BHEDHN C=CCCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000117881152 384609790 /nfs/dbraw/zinc/60/97/90/384609790.db2.gz NCMUTYVFFQBWPU-NSHDSACASA-N 0 3 238.400 3.719 20 30 BHEDHN N#CCCCCN1CC=C(c2cccs2)CC1 ZINC000117896574 134221676 /nfs/dbraw/zinc/22/16/76/134221676.db2.gz XWABNDFGJFDERV-UHFFFAOYSA-N 0 3 246.379 3.531 20 30 BHEDHN CCCCCCCN[C@@H](C)c1c(C)noc1C ZINC000118474313 589174411 /nfs/dbraw/zinc/17/44/11/589174411.db2.gz HARJNPLDNQXSHN-NSHDSACASA-N 0 3 238.375 3.912 20 30 BHEDHN CCCCCCCN[C@H](C)c1c(C)noc1C ZINC000118474318 589174322 /nfs/dbraw/zinc/17/43/22/589174322.db2.gz HARJNPLDNQXSHN-LLVKDONJSA-N 0 3 238.375 3.912 20 30 BHEDHN C=CCCCN([C@@H](C)c1ccco1)C1CC1 ZINC000119131578 411261585 /nfs/dbraw/zinc/26/15/85/411261585.db2.gz YYJZGIYCBBEBJI-LBPRGKRZSA-N 0 3 219.328 3.771 20 30 BHEDHN C=CCCCN([C@H](C)c1ccco1)C1CC1 ZINC000119131684 411261509 /nfs/dbraw/zinc/26/15/09/411261509.db2.gz YYJZGIYCBBEBJI-GFCCVEGCSA-N 0 3 219.328 3.771 20 30 BHEDHN C=CC[C@H](C)NCc1cc(Cl)ccc1F ZINC000119260179 323916238 /nfs/dbraw/zinc/91/62/38/323916238.db2.gz PKCGHBCSRMGIEU-VIFPVBQESA-N 0 3 227.710 3.533 20 30 BHEDHN C=CC[C@@H](C)NCc1cc(Cl)ccc1F ZINC000119260286 384818704 /nfs/dbraw/zinc/81/87/04/384818704.db2.gz PKCGHBCSRMGIEU-SECBINFHSA-N 0 3 227.710 3.533 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000119316748 385070493 /nfs/dbraw/zinc/07/04/93/385070493.db2.gz XWFHCGDGSFUYFU-WCBMZHEXSA-N 0 3 209.358 3.590 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000119316859 385070123 /nfs/dbraw/zinc/07/01/23/385070123.db2.gz XWFHCGDGSFUYFU-WPRPVWTQSA-N 0 3 209.358 3.590 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000119316956 534512420 /nfs/dbraw/zinc/51/24/20/534512420.db2.gz XWFHCGDGSFUYFU-PSASIEDQSA-N 0 3 209.358 3.590 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000119317090 385070415 /nfs/dbraw/zinc/07/04/15/385070415.db2.gz XWFHCGDGSFUYFU-SCZZXKLOSA-N 0 3 209.358 3.590 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000119318156 323920363 /nfs/dbraw/zinc/92/03/63/323920363.db2.gz PRPBAZQXDKAJBC-UWVGGRQHSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000119318291 388113364 /nfs/dbraw/zinc/11/33/64/388113364.db2.gz PRPBAZQXDKAJBC-ZJUUUORDSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000119318369 323920264 /nfs/dbraw/zinc/92/02/64/323920264.db2.gz PRPBAZQXDKAJBC-VHSXEESVSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000119318465 388112930 /nfs/dbraw/zinc/11/29/30/388112930.db2.gz PRPBAZQXDKAJBC-NXEZZACHSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1sc(C(C)C)nc1C ZINC000119320824 134225927 /nfs/dbraw/zinc/22/59/27/134225927.db2.gz ITVUFYJRCBZETI-VHSXEESVSA-N 0 3 238.400 3.800 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1sc(C(C)C)nc1C ZINC000119320939 534668830 /nfs/dbraw/zinc/66/88/30/534668830.db2.gz ITVUFYJRCBZETI-UWVGGRQHSA-N 0 3 238.400 3.800 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1sc(C(C)C)nc1C ZINC000119321082 534512893 /nfs/dbraw/zinc/51/28/93/534512893.db2.gz ITVUFYJRCBZETI-NXEZZACHSA-N 0 3 238.400 3.800 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1sc(C(C)C)nc1C ZINC000119321213 534512575 /nfs/dbraw/zinc/51/25/75/534512575.db2.gz ITVUFYJRCBZETI-ZJUUUORDSA-N 0 3 238.400 3.800 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000119327184 487538928 /nfs/dbraw/zinc/53/89/28/487538928.db2.gz BEEAGIVCFZHYSC-UWVGGRQHSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000119327327 487538947 /nfs/dbraw/zinc/53/89/47/487538947.db2.gz BEEAGIVCFZHYSC-ZJUUUORDSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000119327439 487538875 /nfs/dbraw/zinc/53/88/75/487538875.db2.gz BEEAGIVCFZHYSC-VHSXEESVSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000119327550 487539679 /nfs/dbraw/zinc/53/96/79/487539679.db2.gz BEEAGIVCFZHYSC-NXEZZACHSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(SC)c(F)c1 ZINC000119329653 388112760 /nfs/dbraw/zinc/11/27/60/388112760.db2.gz IZMSWYUHKOLNGP-UWVGGRQHSA-N 0 3 239.359 3.773 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(SC)c(F)c1 ZINC000119329778 388112729 /nfs/dbraw/zinc/11/27/29/388112729.db2.gz IZMSWYUHKOLNGP-ZJUUUORDSA-N 0 3 239.359 3.773 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(SC)c(F)c1 ZINC000119329906 323921018 /nfs/dbraw/zinc/92/10/18/323921018.db2.gz IZMSWYUHKOLNGP-VHSXEESVSA-N 0 3 239.359 3.773 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(SC)c(F)c1 ZINC000119330006 388112802 /nfs/dbraw/zinc/11/28/02/388112802.db2.gz IZMSWYUHKOLNGP-NXEZZACHSA-N 0 3 239.359 3.773 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccccc1OC(F)F ZINC000119332267 388113428 /nfs/dbraw/zinc/11/34/28/388113428.db2.gz GEYRGLIKNKGGEB-UWVGGRQHSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccccc1OC(F)F ZINC000119332398 323087462 /nfs/dbraw/zinc/08/74/62/323087462.db2.gz GEYRGLIKNKGGEB-ZJUUUORDSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccccc1OC(F)F ZINC000119332512 388112945 /nfs/dbraw/zinc/11/29/45/388112945.db2.gz GEYRGLIKNKGGEB-VHSXEESVSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccccc1OC(F)F ZINC000119332636 388113258 /nfs/dbraw/zinc/11/32/58/388113258.db2.gz GEYRGLIKNKGGEB-NXEZZACHSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@H](C)N[C@@H](CC)c1ccc(F)cc1F ZINC000119343622 534669439 /nfs/dbraw/zinc/66/94/39/534669439.db2.gz MIMPDYIYVIGUMB-ZANVPECISA-N 0 3 225.282 3.580 20 30 BHEDHN C=C[C@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC000119343756 134226103 /nfs/dbraw/zinc/22/61/03/134226103.db2.gz MIMPDYIYVIGUMB-TVQRCGJNSA-N 0 3 225.282 3.580 20 30 BHEDHN C=C[C@@H](C)N[C@@H](CC)c1ccc(F)cc1F ZINC000119343859 534512686 /nfs/dbraw/zinc/51/26/86/534512686.db2.gz MIMPDYIYVIGUMB-RNCFNFMXSA-N 0 3 225.282 3.580 20 30 BHEDHN C=C[C@@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC000119344004 534512312 /nfs/dbraw/zinc/51/23/12/534512312.db2.gz MIMPDYIYVIGUMB-NOZJJQNGSA-N 0 3 225.282 3.580 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000119348090 323919243 /nfs/dbraw/zinc/91/92/43/323919243.db2.gz SPHMDPXNWIRKNR-UWVGGRQHSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000119348200 388113392 /nfs/dbraw/zinc/11/33/92/388113392.db2.gz SPHMDPXNWIRKNR-ZJUUUORDSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000119348312 388112987 /nfs/dbraw/zinc/11/29/87/388112987.db2.gz SPHMDPXNWIRKNR-VHSXEESVSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000119348401 323919878 /nfs/dbraw/zinc/91/98/78/323919878.db2.gz SPHMDPXNWIRKNR-NXEZZACHSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000119353371 388112794 /nfs/dbraw/zinc/11/27/94/388112794.db2.gz LOXIHRPFWXWGMY-UWVGGRQHSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000119353497 323919613 /nfs/dbraw/zinc/91/96/13/323919613.db2.gz LOXIHRPFWXWGMY-ZJUUUORDSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000119353642 323919692 /nfs/dbraw/zinc/91/96/92/323919692.db2.gz LOXIHRPFWXWGMY-VHSXEESVSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000119353738 388113017 /nfs/dbraw/zinc/11/30/17/388113017.db2.gz LOXIHRPFWXWGMY-NXEZZACHSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(CC)s1 ZINC000119366047 387131683 /nfs/dbraw/zinc/13/16/83/387131683.db2.gz KQAOSDPOOUEXQL-VHSXEESVSA-N 0 3 209.358 3.536 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(CC)s1 ZINC000119366173 323922880 /nfs/dbraw/zinc/92/28/80/323922880.db2.gz KQAOSDPOOUEXQL-UWVGGRQHSA-N 0 3 209.358 3.536 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(CC)s1 ZINC000119366320 323922974 /nfs/dbraw/zinc/92/29/74/323922974.db2.gz KQAOSDPOOUEXQL-NXEZZACHSA-N 0 3 209.358 3.536 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(CC)s1 ZINC000119366463 387130941 /nfs/dbraw/zinc/13/09/41/387130941.db2.gz KQAOSDPOOUEXQL-ZJUUUORDSA-N 0 3 209.358 3.536 20 30 BHEDHN C=C(C)CNCc1cc(Cl)cc2cccnc21 ZINC000119647970 344857512 /nfs/dbraw/zinc/85/75/12/344857512.db2.gz WPFDQHJJGNUUBV-UHFFFAOYSA-N 0 3 246.741 3.554 20 30 BHEDHN C=C(C)CNCc1ccc(-c2ccccc2)o1 ZINC000119655871 398194301 /nfs/dbraw/zinc/19/43/01/398194301.db2.gz JGJIBPRWDAVORR-UHFFFAOYSA-N 0 3 227.307 3.612 20 30 BHEDHN C=C(C)CNCc1ccc(SC(F)F)cc1 ZINC000119667014 589322637 /nfs/dbraw/zinc/32/26/37/589322637.db2.gz JRBLJHYPDCHCNS-UHFFFAOYSA-N 0 3 243.322 3.667 20 30 BHEDHN C[C@@H]1CN(CCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000119696189 344859987 /nfs/dbraw/zinc/85/99/87/344859987.db2.gz KVXNZQQVPAQLLY-HIFRSBDPSA-N 0 3 242.366 3.619 20 30 BHEDHN C[C@H]1CN(CCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000119696334 344859660 /nfs/dbraw/zinc/85/96/60/344859660.db2.gz KVXNZQQVPAQLLY-ZFWWWQNUSA-N 0 3 242.366 3.619 20 30 BHEDHN CC1CCC(N(C)Cc2cc(C#N)cs2)CC1 ZINC000119883796 168159050 /nfs/dbraw/zinc/15/90/50/168159050.db2.gz VCWZHRSVZLDROI-UHFFFAOYSA-N 0 3 248.395 3.630 20 30 BHEDHN CC(C)(C#N)CCN1CCC[C@@H]1c1ccsc1 ZINC000119895809 344869485 /nfs/dbraw/zinc/86/94/85/344869485.db2.gz VMWXNNURIUMSKW-CYBMUJFWSA-N 0 3 248.395 3.825 20 30 BHEDHN CC(C)(C#N)CCN1CCC[C@H]1c1ccsc1 ZINC000119895979 344869564 /nfs/dbraw/zinc/86/95/64/344869564.db2.gz VMWXNNURIUMSKW-ZDUSSCGKSA-N 0 3 248.395 3.825 20 30 BHEDHN CC[C@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000120261136 385274715 /nfs/dbraw/zinc/27/47/15/385274715.db2.gz XOSMQALXEKVUKC-ZDUSSCGKSA-N 0 3 236.746 3.684 20 30 BHEDHN CC[C@@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000120261266 385274848 /nfs/dbraw/zinc/27/48/48/385274848.db2.gz XOSMQALXEKVUKC-CYBMUJFWSA-N 0 3 236.746 3.684 20 30 BHEDHN Cc1ccc(CN(CCCC#N)C2CC2)cc1C ZINC000120461154 134229546 /nfs/dbraw/zinc/22/95/46/134229546.db2.gz XJCJEGDWAXUNIG-UHFFFAOYSA-N 0 3 242.366 3.572 20 30 BHEDHN CN(Cc1ccsc1)CC(C)(C)CCC#N ZINC000120495482 350882413 /nfs/dbraw/zinc/88/24/13/350882413.db2.gz WWDVMZLVJUCIRA-UHFFFAOYSA-N 0 3 236.384 3.510 20 30 BHEDHN C=CCCCN[C@H](C)c1csc(C(C)C)n1 ZINC000120720932 347406391 /nfs/dbraw/zinc/40/63/91/347406391.db2.gz VJURMIGIUQQXLZ-LLVKDONJSA-N 0 3 238.400 3.883 20 30 BHEDHN C=CCCCN[C@@H](C)c1csc(C(C)C)n1 ZINC000120721052 347406529 /nfs/dbraw/zinc/40/65/29/347406529.db2.gz VJURMIGIUQQXLZ-NSHDSACASA-N 0 3 238.400 3.883 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccc(SC)cc1 ZINC000120902415 398201311 /nfs/dbraw/zinc/20/13/11/398201311.db2.gz KPAVCMKMIARLKU-NSHDSACASA-N 0 3 221.369 3.635 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccc(SC)cc1 ZINC000120902563 398201304 /nfs/dbraw/zinc/20/13/04/398201304.db2.gz KPAVCMKMIARLKU-LLVKDONJSA-N 0 3 221.369 3.635 20 30 BHEDHN C=CCC[C@H](NCc1cc(C(C)C)no1)C1CC1 ZINC000121183881 490078824 /nfs/dbraw/zinc/07/88/24/490078824.db2.gz VZYYQOKTTVKTFL-AWEZNQCLSA-N 0 3 248.370 3.632 20 30 BHEDHN C=CCC[C@@H](NCc1cc(C(C)C)no1)C1CC1 ZINC000121184007 490078991 /nfs/dbraw/zinc/07/89/91/490078991.db2.gz VZYYQOKTTVKTFL-CQSZACIVSA-N 0 3 248.370 3.632 20 30 BHEDHN C=CCN(C)Cc1cc2ccccc2s1 ZINC000121227765 324006417 /nfs/dbraw/zinc/00/64/17/324006417.db2.gz VJIUSSSAZCPHMB-UHFFFAOYSA-N 0 3 217.337 3.519 20 30 BHEDHN C=CCN(C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000121311052 324010548 /nfs/dbraw/zinc/01/05/48/324010548.db2.gz XOXJNPVIUNXGEH-VIFPVBQESA-N 0 3 227.710 3.658 20 30 BHEDHN C=CCN(C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000121311199 324010338 /nfs/dbraw/zinc/01/03/38/324010338.db2.gz XOXJNPVIUNXGEH-SECBINFHSA-N 0 3 227.710 3.658 20 30 BHEDHN C=CCN(C)Cc1ccc(Cl)c2cccnc12 ZINC000121413552 324011236 /nfs/dbraw/zinc/01/12/36/324011236.db2.gz DJNBICOVDHKGEW-UHFFFAOYSA-N 0 3 246.741 3.506 20 30 BHEDHN C=CCN(C)Cc1cc(Cl)cc2cccnc21 ZINC000121486839 324014508 /nfs/dbraw/zinc/01/45/08/324014508.db2.gz YNCFMEMQGFGWJB-UHFFFAOYSA-N 0 3 246.741 3.506 20 30 BHEDHN N#CCCN(CCCC1CCCC1)CC1CC1 ZINC000121678753 134234921 /nfs/dbraw/zinc/23/49/21/134234921.db2.gz YYHFQOQLIIGPIM-UHFFFAOYSA-N 0 3 234.387 3.582 20 30 BHEDHN C=C(C)CN(C)[C@H](C)c1sc(CC)nc1C ZINC000122038500 384454068 /nfs/dbraw/zinc/45/40/68/384454068.db2.gz KUFPODMXBZXUPY-LLVKDONJSA-N 0 3 238.400 3.583 20 30 BHEDHN C=C(C)CN(C)[C@@H](C)c1sc(CC)nc1C ZINC000122038713 135226481 /nfs/dbraw/zinc/22/64/81/135226481.db2.gz KUFPODMXBZXUPY-NSHDSACASA-N 0 3 238.400 3.583 20 30 BHEDHN CN(Cc1ccc(C#N)s1)C1CCCCCC1 ZINC000122066926 324026438 /nfs/dbraw/zinc/02/64/38/324026438.db2.gz KACKVYBCLWKFPG-UHFFFAOYSA-N 0 3 248.395 3.774 20 30 BHEDHN C=CCCN(C)[C@H](C)c1sc(CC)nc1C ZINC000122074226 534770034 /nfs/dbraw/zinc/77/00/34/534770034.db2.gz SGMAAWPUDADZQU-LLVKDONJSA-N 0 3 238.400 3.583 20 30 BHEDHN C=CCCN(C)[C@@H](C)c1sc(CC)nc1C ZINC000122074453 534770606 /nfs/dbraw/zinc/77/06/06/534770606.db2.gz SGMAAWPUDADZQU-NSHDSACASA-N 0 3 238.400 3.583 20 30 BHEDHN C=CC[C@H](C)NCc1ccc(F)cc1Cl ZINC000122156739 324032108 /nfs/dbraw/zinc/03/21/08/324032108.db2.gz YENXHKDBBMCATQ-VIFPVBQESA-N 0 3 227.710 3.533 20 30 BHEDHN C=CC[C@@H](C)NCc1ccc(F)cc1Cl ZINC000122156955 324032374 /nfs/dbraw/zinc/03/23/74/324032374.db2.gz YENXHKDBBMCATQ-SECBINFHSA-N 0 3 227.710 3.533 20 30 BHEDHN C=C(Cl)CNC(C)(C)CCc1ccccc1 ZINC000122378680 589585170 /nfs/dbraw/zinc/58/51/70/589585170.db2.gz ODHPGDNOLXPOSV-UHFFFAOYSA-N 0 3 237.774 3.740 20 30 BHEDHN C=C(C)CNCc1ccc(Cl)c2cccnc12 ZINC000122516145 324047087 /nfs/dbraw/zinc/04/70/87/324047087.db2.gz GXKXFKXNAWCRAP-UHFFFAOYSA-N 0 3 246.741 3.554 20 30 BHEDHN C=C(C)CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000122518145 324047345 /nfs/dbraw/zinc/04/73/45/324047345.db2.gz YBGSPQAMJKQQOG-UHFFFAOYSA-N 0 3 247.235 3.510 20 30 BHEDHN C=C(C)CNCc1ccc(-c2ccc(F)cc2)o1 ZINC000122519689 324047322 /nfs/dbraw/zinc/04/73/22/324047322.db2.gz SUCAJWKNUXCHAX-UHFFFAOYSA-N 0 3 245.297 3.751 20 30 BHEDHN C=C(C)CNCc1c(CC)oc2ccccc21 ZINC000122522206 324046870 /nfs/dbraw/zinc/04/68/70/324046870.db2.gz VKCGDAWEOBLCJN-UHFFFAOYSA-N 0 3 229.323 3.661 20 30 BHEDHN C=C(C)CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000122536643 324046397 /nfs/dbraw/zinc/04/63/97/324046397.db2.gz LBPZPHSTVZRRHE-UHFFFAOYSA-N 0 3 247.235 3.510 20 30 BHEDHN C=C(C)CNCc1c(OC)ccc2ccccc21 ZINC000122559662 398093394 /nfs/dbraw/zinc/09/33/94/398093394.db2.gz MKLVQWRGTNPBCQ-UHFFFAOYSA-N 0 3 241.334 3.514 20 30 BHEDHN C=C(C)CNCc1ccc(OCCCC)cc1 ZINC000122571300 324049567 /nfs/dbraw/zinc/04/95/67/324049567.db2.gz XVYPXIGMBISFEQ-UHFFFAOYSA-N 0 3 233.355 3.531 20 30 BHEDHN C=C(C)CNCc1ccc(F)cc1C(F)(F)F ZINC000122579220 324049638 /nfs/dbraw/zinc/04/96/38/324049638.db2.gz JURVROSYUVOIGF-UHFFFAOYSA-N 0 3 247.235 3.510 20 30 BHEDHN C=C[C@H](C)N[C@@H]1CCSc2ccc(F)cc21 ZINC000122947286 534670026 /nfs/dbraw/zinc/67/00/26/534670026.db2.gz XWVUFXWZLMZFOW-JOYOIKCWSA-N 0 3 237.343 3.527 20 30 BHEDHN C=C[C@@H](C)N[C@@H]1CCSc2ccc(F)cc21 ZINC000122947494 534511345 /nfs/dbraw/zinc/51/13/45/534511345.db2.gz XWVUFXWZLMZFOW-BXKDBHETSA-N 0 3 237.343 3.527 20 30 BHEDHN C=C[C@H](C)N[C@H]1CCSc2ccc(F)cc21 ZINC000122947743 134241750 /nfs/dbraw/zinc/24/17/50/134241750.db2.gz XWVUFXWZLMZFOW-CABZTGNLSA-N 0 3 237.343 3.527 20 30 BHEDHN C=C[C@@H](C)N[C@H]1CCSc2ccc(F)cc21 ZINC000122947974 134241705 /nfs/dbraw/zinc/24/17/05/134241705.db2.gz XWVUFXWZLMZFOW-SKDRFNHKSA-N 0 3 237.343 3.527 20 30 BHEDHN CCCCCC(C)(C)CNCc1ccc(C#N)o1 ZINC000122955861 589645238 /nfs/dbraw/zinc/64/52/38/589645238.db2.gz LCPRTCIDMUVZLZ-UHFFFAOYSA-N 0 3 248.370 3.847 20 30 BHEDHN C=C[C@H](C)N[C@@H](CC)c1cc(F)ccc1F ZINC000122960374 534669984 /nfs/dbraw/zinc/66/99/84/534669984.db2.gz KEJSJTMWAHQSCX-ZANVPECISA-N 0 3 225.282 3.580 20 30 BHEDHN C=C[C@H](C)N[C@H](CC)c1cc(F)ccc1F ZINC000122960521 134241784 /nfs/dbraw/zinc/24/17/84/134241784.db2.gz KEJSJTMWAHQSCX-TVQRCGJNSA-N 0 3 225.282 3.580 20 30 BHEDHN C=C[C@@H](C)N[C@@H](CC)c1cc(F)ccc1F ZINC000122960686 534513065 /nfs/dbraw/zinc/51/30/65/534513065.db2.gz KEJSJTMWAHQSCX-RNCFNFMXSA-N 0 3 225.282 3.580 20 30 BHEDHN C=C[C@@H](C)N[C@H](CC)c1cc(F)ccc1F ZINC000122960823 534512696 /nfs/dbraw/zinc/51/26/96/534512696.db2.gz KEJSJTMWAHQSCX-NOZJJQNGSA-N 0 3 225.282 3.580 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000122985165 324071440 /nfs/dbraw/zinc/07/14/40/324071440.db2.gz VSHPSCVJEXHYRU-UWVGGRQHSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000122985335 324071452 /nfs/dbraw/zinc/07/14/52/324071452.db2.gz VSHPSCVJEXHYRU-ZJUUUORDSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cc(Cl)ccc1OC ZINC000122985561 324071605 /nfs/dbraw/zinc/07/16/05/324071605.db2.gz VSHPSCVJEXHYRU-VHSXEESVSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cc(Cl)ccc1OC ZINC000122985791 324071405 /nfs/dbraw/zinc/07/14/05/324071405.db2.gz VSHPSCVJEXHYRU-NXEZZACHSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000122994088 324073699 /nfs/dbraw/zinc/07/36/99/324073699.db2.gz SECWLSYAQHYZJT-NWDGAFQWSA-N 0 3 221.319 3.668 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000122994316 324073563 /nfs/dbraw/zinc/07/35/63/324073563.db2.gz SECWLSYAQHYZJT-RYUDHWBXSA-N 0 3 221.319 3.668 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000122994535 324073685 /nfs/dbraw/zinc/07/36/85/324073685.db2.gz SECWLSYAQHYZJT-VXGBXAGGSA-N 0 3 221.319 3.668 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000122994728 324073367 /nfs/dbraw/zinc/07/33/67/324073367.db2.gz SECWLSYAQHYZJT-NEPJUHHUSA-N 0 3 221.319 3.668 20 30 BHEDHN C#C[C@H](C)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000123008180 589651459 /nfs/dbraw/zinc/65/14/59/589651459.db2.gz QYBAQOGFBPATAX-YJBOKZPZSA-N 0 3 249.357 3.582 20 30 BHEDHN C#C[C@@H](C)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000123008409 589651476 /nfs/dbraw/zinc/65/14/76/589651476.db2.gz QYBAQOGFBPATAX-QAPCUYQASA-N 0 3 249.357 3.582 20 30 BHEDHN C#C[C@H](C)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000123008602 589651493 /nfs/dbraw/zinc/65/14/93/589651493.db2.gz QYBAQOGFBPATAX-MAUKXSAKSA-N 0 3 249.357 3.582 20 30 BHEDHN C#C[C@@H](C)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000123008875 589651527 /nfs/dbraw/zinc/65/15/27/589651527.db2.gz QYBAQOGFBPATAX-CRAIPNDOSA-N 0 3 249.357 3.582 20 30 BHEDHN C#C[C@H](C)NCc1cc(-c2ccccc2)cs1 ZINC000123066103 589658384 /nfs/dbraw/zinc/65/83/84/589658384.db2.gz IZHJGWCITYVWOF-LBPRGKRZSA-N 0 3 241.359 3.526 20 30 BHEDHN C#C[C@@H](C)NCc1cc(-c2ccccc2)cs1 ZINC000123066298 589658245 /nfs/dbraw/zinc/65/82/45/589658245.db2.gz IZHJGWCITYVWOF-GFCCVEGCSA-N 0 3 241.359 3.526 20 30 BHEDHN C=C[C@H](C)NCc1ccc2cc(OC)ccc2c1 ZINC000123180085 324093851 /nfs/dbraw/zinc/09/38/51/324093851.db2.gz FBSMXAIWVXNBHL-LBPRGKRZSA-N 0 3 241.334 3.513 20 30 BHEDHN C=C[C@@H](C)NCc1ccc2cc(OC)ccc2c1 ZINC000123180333 324093895 /nfs/dbraw/zinc/09/38/95/324093895.db2.gz FBSMXAIWVXNBHL-GFCCVEGCSA-N 0 3 241.334 3.513 20 30 BHEDHN C=C[C@H](C)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000123184713 324094531 /nfs/dbraw/zinc/09/45/31/324094531.db2.gz SQCJMUCWPFEKLF-NSHDSACASA-N 0 3 245.297 3.750 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000123184914 324094738 /nfs/dbraw/zinc/09/47/38/324094738.db2.gz SQCJMUCWPFEKLF-LLVKDONJSA-N 0 3 245.297 3.750 20 30 BHEDHN C=C[C@H](C)NCc1ccc(OCCCC)cc1 ZINC000123188841 324094823 /nfs/dbraw/zinc/09/48/23/324094823.db2.gz GQVUYSLUEZZQQD-ZDUSSCGKSA-N 0 3 233.355 3.530 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(OCCCC)cc1 ZINC000123189078 324094719 /nfs/dbraw/zinc/09/47/19/324094719.db2.gz GQVUYSLUEZZQQD-CYBMUJFWSA-N 0 3 233.355 3.530 20 30 BHEDHN C=C[C@H](C)NCc1ccc(OCCC(C)C)cc1 ZINC000123189333 324094805 /nfs/dbraw/zinc/09/48/05/324094805.db2.gz XCFRSAQHTVQKQO-AWEZNQCLSA-N 0 3 247.382 3.776 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(OCCC(C)C)cc1 ZINC000123189624 324094845 /nfs/dbraw/zinc/09/48/45/324094845.db2.gz XCFRSAQHTVQKQO-CQSZACIVSA-N 0 3 247.382 3.776 20 30 BHEDHN C=CC[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000124119112 589943455 /nfs/dbraw/zinc/94/34/55/589943455.db2.gz LHXIPWRLGNSIAV-UWVGGRQHSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000124119358 589943236 /nfs/dbraw/zinc/94/32/36/589943236.db2.gz LHXIPWRLGNSIAV-ZJUUUORDSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC000124119564 589943291 /nfs/dbraw/zinc/94/32/91/589943291.db2.gz LHXIPWRLGNSIAV-VHSXEESVSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@@H](C)N[C@H](C)c1c(F)cccc1F ZINC000124119798 589943670 /nfs/dbraw/zinc/94/36/70/589943670.db2.gz LHXIPWRLGNSIAV-NXEZZACHSA-N 0 3 225.282 3.580 20 30 BHEDHN CC[C@@H](CC#N)NCCc1ccc(C(C)C)cc1 ZINC000124259703 384365854 /nfs/dbraw/zinc/36/58/54/384365854.db2.gz MXMHDEQBAPCOFG-INIZCTEOSA-N 0 3 244.382 3.634 20 30 BHEDHN CC[C@H](CC#N)NCCc1ccc(C(C)C)cc1 ZINC000124259918 388661279 /nfs/dbraw/zinc/66/12/79/388661279.db2.gz MXMHDEQBAPCOFG-MRXNPFEDSA-N 0 3 244.382 3.634 20 30 BHEDHN Cc1ccc([C@@H]2CCCCN2CCCC#N)cc1 ZINC000124559051 358518542 /nfs/dbraw/zinc/51/85/42/358518542.db2.gz IHVIUFRECJVPMU-INIZCTEOSA-N 0 3 242.366 3.826 20 30 BHEDHN Cc1ccc([C@H]2CCCCN2CCCC#N)cc1 ZINC000124559265 358518458 /nfs/dbraw/zinc/51/84/58/358518458.db2.gz IHVIUFRECJVPMU-MRXNPFEDSA-N 0 3 242.366 3.826 20 30 BHEDHN CC[C@@H](CC#N)NC1CC(C)(C)CC(C)(C)C1 ZINC000124798633 358525980 /nfs/dbraw/zinc/52/59/80/358525980.db2.gz YDXIGABKKAIMAO-LBPRGKRZSA-N 0 3 236.403 3.873 20 30 BHEDHN CC[C@H](CC#N)NC1CC(C)(C)CC(C)(C)C1 ZINC000124798836 358525914 /nfs/dbraw/zinc/52/59/14/358525914.db2.gz YDXIGABKKAIMAO-GFCCVEGCSA-N 0 3 236.403 3.873 20 30 BHEDHN C=CCN(Cc1ccoc1)C1CCCCC1 ZINC000124934909 358530516 /nfs/dbraw/zinc/53/05/16/358530516.db2.gz HWTPQFVTYNYQSC-UHFFFAOYSA-N 0 3 219.328 3.600 20 30 BHEDHN N#CCCCN(Cc1ccoc1)C1CCCCC1 ZINC000124970028 345061070 /nfs/dbraw/zinc/06/10/70/345061070.db2.gz ZKVVKMUJYWGKTF-UHFFFAOYSA-N 0 3 246.354 3.718 20 30 BHEDHN C=C(Br)CN[C@@H](C)CCC=C(C)C ZINC000125051393 584028129 /nfs/dbraw/zinc/02/81/29/584028129.db2.gz PTJQYLDDHSFBSA-NSHDSACASA-N 0 3 246.192 3.620 20 30 BHEDHN C=C(Br)CN[C@H](C)CCC=C(C)C ZINC000125051633 590116579 /nfs/dbraw/zinc/11/65/79/590116579.db2.gz PTJQYLDDHSFBSA-LLVKDONJSA-N 0 3 246.192 3.620 20 30 BHEDHN CC(C)CCCCNCc1ccc(C#N)cc1F ZINC000125108295 590121020 /nfs/dbraw/zinc/12/10/20/590121020.db2.gz GDIQCLGVKHIMEW-UHFFFAOYSA-N 0 3 248.345 3.613 20 30 BHEDHN C=C(C)COCCN[C@H](C)c1cc(C)ccc1C ZINC000125629119 388673598 /nfs/dbraw/zinc/67/35/98/388673598.db2.gz KRLCDQHFMIRBMC-OAHLLOKOSA-N 0 3 247.382 3.547 20 30 BHEDHN C=C(C)COCCN[C@@H](C)c1cc(C)ccc1C ZINC000125629344 324645363 /nfs/dbraw/zinc/64/53/63/324645363.db2.gz KRLCDQHFMIRBMC-HNNXBMFYSA-N 0 3 247.382 3.547 20 30 BHEDHN CCN(CC=C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125763815 388806796 /nfs/dbraw/zinc/80/67/96/388806796.db2.gz SDTKBGVRAMNSQK-AWEZNQCLSA-N 0 3 242.366 3.907 20 30 BHEDHN CCCCCCC[C@@H](C)NCC(C)(C)C#N ZINC000126418410 590301923 /nfs/dbraw/zinc/30/19/23/590301923.db2.gz RHNOBADMIWVSBF-CYBMUJFWSA-N 0 3 224.392 3.875 20 30 BHEDHN CCCCCCC[C@H](C)NCC(C)(C)C#N ZINC000126418623 590301978 /nfs/dbraw/zinc/30/19/78/590301978.db2.gz RHNOBADMIWVSBF-ZDUSSCGKSA-N 0 3 224.392 3.875 20 30 BHEDHN C=CCC[C@H](C)N[C@@H](CC)c1nccs1 ZINC000126677454 344182878 /nfs/dbraw/zinc/18/28/78/344182878.db2.gz IUKYPZZDDNFKRB-QWRGUYRKSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCC[C@H](C)N[C@H](CC)c1nccs1 ZINC000126677672 344183022 /nfs/dbraw/zinc/18/30/22/344183022.db2.gz IUKYPZZDDNFKRB-WDEREUQCSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCC[C@@H](C)N[C@@H](CC)c1nccs1 ZINC000126677910 344182673 /nfs/dbraw/zinc/18/26/73/344182673.db2.gz IUKYPZZDDNFKRB-MNOVXSKESA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCC[C@@H](C)N[C@H](CC)c1nccs1 ZINC000126678189 344182762 /nfs/dbraw/zinc/18/27/62/344182762.db2.gz IUKYPZZDDNFKRB-GHMZBOCLSA-N 0 3 224.373 3.539 20 30 BHEDHN C=C(C)CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000126948930 323174061 /nfs/dbraw/zinc/17/40/61/323174061.db2.gz LQNVCMMAKMLKEA-JTQLQIEISA-N 0 3 243.272 3.932 20 30 BHEDHN C=C(C)CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000126949232 324734458 /nfs/dbraw/zinc/73/44/58/324734458.db2.gz LQNVCMMAKMLKEA-SNVBAGLBSA-N 0 3 243.272 3.932 20 30 BHEDHN C=CCN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126989102 388710530 /nfs/dbraw/zinc/71/05/30/388710530.db2.gz JJKDKCJOEPXKHB-OAHLLOKOSA-N 0 3 244.382 3.603 20 30 BHEDHN C=CCN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126989340 388710713 /nfs/dbraw/zinc/71/07/13/388710713.db2.gz JJKDKCJOEPXKHB-HNNXBMFYSA-N 0 3 244.382 3.603 20 30 BHEDHN CC(C)[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000126991800 384234421 /nfs/dbraw/zinc/23/44/21/384234421.db2.gz UOMGGTUQMKAMSA-AWEZNQCLSA-N 0 3 248.395 3.630 20 30 BHEDHN CC(C)[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000126992062 323074976 /nfs/dbraw/zinc/07/49/76/323074976.db2.gz UOMGGTUQMKAMSA-CQSZACIVSA-N 0 3 248.395 3.630 20 30 BHEDHN CC[C@]1(C)CCCN(Cc2ccc(C#N)s2)C1 ZINC000127235206 344062461 /nfs/dbraw/zinc/06/24/61/344062461.db2.gz BDLCCUISMMXZEO-CQSZACIVSA-N 0 3 248.395 3.632 20 30 BHEDHN CC[C@@]1(C)CCCN(Cc2ccc(C#N)s2)C1 ZINC000127235438 344062535 /nfs/dbraw/zinc/06/25/35/344062535.db2.gz BDLCCUISMMXZEO-AWEZNQCLSA-N 0 3 248.395 3.632 20 30 BHEDHN C=CCCCCCN(C)Cc1ccc(C#N)s1 ZINC000127770597 411252717 /nfs/dbraw/zinc/25/27/17/411252717.db2.gz GAMJYVJJGHQXIL-UHFFFAOYSA-N 0 3 248.395 3.798 20 30 BHEDHN C[C@@H]1CCC[C@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000128195997 384515900 /nfs/dbraw/zinc/51/59/00/384515900.db2.gz MIFVPRFMXQFTOC-NEPJUHHUSA-N 0 3 248.395 3.630 20 30 BHEDHN C[C@H]1CCC[C@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000128196217 388741434 /nfs/dbraw/zinc/74/14/34/388741434.db2.gz MIFVPRFMXQFTOC-RYUDHWBXSA-N 0 3 248.395 3.630 20 30 BHEDHN C[C@@H]1CCC[C@@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000128196453 384515977 /nfs/dbraw/zinc/51/59/77/384515977.db2.gz MIFVPRFMXQFTOC-VXGBXAGGSA-N 0 3 248.395 3.630 20 30 BHEDHN C[C@@H]1CCC[C@H](C)CN1Cc1ccc(C#N)s1 ZINC000128196639 323006441 /nfs/dbraw/zinc/00/64/41/323006441.db2.gz MIFVPRFMXQFTOC-NWDGAFQWSA-N 0 3 248.395 3.630 20 30 BHEDHN CC[C@@H]1CCCCCN1Cc1ccc(C#N)s1 ZINC000128345373 385155361 /nfs/dbraw/zinc/15/53/61/385155361.db2.gz WDCWXQMFZJMXND-GFCCVEGCSA-N 0 3 248.395 3.774 20 30 BHEDHN CC[C@H]1CCCCCN1Cc1ccc(C#N)s1 ZINC000128345616 385152747 /nfs/dbraw/zinc/15/27/47/385152747.db2.gz WDCWXQMFZJMXND-LBPRGKRZSA-N 0 3 248.395 3.774 20 30 BHEDHN C[C@H](NCCCC#N)c1ccc2ccccc2c1 ZINC000128373896 385030200 /nfs/dbraw/zinc/03/02/00/385030200.db2.gz BCIGKLLYDGJINW-ZDUSSCGKSA-N 0 3 238.334 3.794 20 30 BHEDHN C[C@@H](NCCCC#N)c1ccc2ccccc2c1 ZINC000128374103 133476562 /nfs/dbraw/zinc/47/65/62/133476562.db2.gz BCIGKLLYDGJINW-CYBMUJFWSA-N 0 3 238.334 3.794 20 30 BHEDHN CCN(Cc1cc(C#N)ccc1F)[C@H](C)C(C)C ZINC000128435489 385507513 /nfs/dbraw/zinc/50/75/13/385507513.db2.gz JEKLBCIICBUOBR-GFCCVEGCSA-N 0 3 248.345 3.564 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000128476868 384895432 /nfs/dbraw/zinc/89/54/32/384895432.db2.gz XFWGRLBVWCUFJE-JTQLQIEISA-N 0 3 243.272 3.932 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000128477059 324843748 /nfs/dbraw/zinc/84/37/48/324843748.db2.gz XFWGRLBVWCUFJE-SNVBAGLBSA-N 0 3 243.272 3.932 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000128478972 388763440 /nfs/dbraw/zinc/76/34/40/388763440.db2.gz CYTGTQHAQMTJAJ-CYBMUJFWSA-N 0 3 233.355 3.701 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000128479194 388763266 /nfs/dbraw/zinc/76/32/66/388763266.db2.gz CYTGTQHAQMTJAJ-ZDUSSCGKSA-N 0 3 233.355 3.701 20 30 BHEDHN C=C(C)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000128480821 353291250 /nfs/dbraw/zinc/29/12/50/353291250.db2.gz XZTIWICBKHFBQD-JTQLQIEISA-N 0 3 241.281 3.515 20 30 BHEDHN C=C(C)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000128481018 353291094 /nfs/dbraw/zinc/29/10/94/353291094.db2.gz XZTIWICBKHFBQD-SNVBAGLBSA-N 0 3 241.281 3.515 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000128481721 353288699 /nfs/dbraw/zinc/28/86/99/353288699.db2.gz YUGMOYWGFKCDCE-JTQLQIEISA-N 0 3 241.281 3.515 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000128481941 353288806 /nfs/dbraw/zinc/28/88/06/353288806.db2.gz YUGMOYWGFKCDCE-SNVBAGLBSA-N 0 3 241.281 3.515 20 30 BHEDHN C=C(C)CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000128484541 358576473 /nfs/dbraw/zinc/57/64/73/358576473.db2.gz HJTHRYXHTXPJBM-LBPRGKRZSA-N 0 3 243.272 3.846 20 30 BHEDHN C=C(C)CN[C@H](CC(F)(F)F)c1ccccc1 ZINC000128484791 353289892 /nfs/dbraw/zinc/28/98/92/353289892.db2.gz HJTHRYXHTXPJBM-GFCCVEGCSA-N 0 3 243.272 3.846 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000128503404 324846984 /nfs/dbraw/zinc/84/69/84/324846984.db2.gz QZDRCWFCCAYZFR-JTQLQIEISA-N 0 3 243.272 3.932 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccccc1C(F)(F)F ZINC000128503638 388765905 /nfs/dbraw/zinc/76/59/05/388765905.db2.gz QZDRCWFCCAYZFR-SNVBAGLBSA-N 0 3 243.272 3.932 20 30 BHEDHN C=CCN(Cc1cnoc1C)CC1CCCCC1 ZINC000128619390 384751101 /nfs/dbraw/zinc/75/11/01/384751101.db2.gz WIWUVGJDBTUAAR-UHFFFAOYSA-N 0 3 248.370 3.551 20 30 BHEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000128846048 386270442 /nfs/dbraw/zinc/27/04/42/386270442.db2.gz WUBGLVCPWUKRSY-GFCCVEGCSA-N 0 3 248.395 3.632 20 30 BHEDHN CC[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000128846298 386270698 /nfs/dbraw/zinc/27/06/98/386270698.db2.gz WUBGLVCPWUKRSY-LBPRGKRZSA-N 0 3 248.395 3.632 20 30 BHEDHN CC[C@@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000128851716 350736960 /nfs/dbraw/zinc/73/69/60/350736960.db2.gz OPFVHHAYYXQRRC-GFCCVEGCSA-N 0 3 248.395 3.632 20 30 BHEDHN CC[C@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000128851947 386269036 /nfs/dbraw/zinc/26/90/36/386269036.db2.gz OPFVHHAYYXQRRC-LBPRGKRZSA-N 0 3 248.395 3.632 20 30 BHEDHN C=CCCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000128884832 388801726 /nfs/dbraw/zinc/80/17/26/388801726.db2.gz KVXIVEJDWUWMNK-UHFFFAOYSA-N 0 3 243.272 3.502 20 30 BHEDHN CC[C@@H](CC#N)NC1CCC2(CCCC2)CC1 ZINC000129379407 358585467 /nfs/dbraw/zinc/58/54/67/358585467.db2.gz PWXVXPJDYIFEQG-ZDUSSCGKSA-N 0 3 234.387 3.771 20 30 BHEDHN CC[C@H](CC#N)NC1CCC2(CCCC2)CC1 ZINC000129379647 358585285 /nfs/dbraw/zinc/58/52/85/358585285.db2.gz PWXVXPJDYIFEQG-CYBMUJFWSA-N 0 3 234.387 3.771 20 30 BHEDHN CC(C)(C#N)CNC1CCC2(CCCC2)CC1 ZINC000129494609 353139559 /nfs/dbraw/zinc/13/95/59/353139559.db2.gz JOQZRPWLBVISQK-UHFFFAOYSA-N 0 3 234.387 3.629 20 30 BHEDHN C=C(Cl)CN[C@H]1CCC[C@H]1CCCC ZINC000129757823 591393437 /nfs/dbraw/zinc/39/34/37/591393437.db2.gz NJNROBZFAGZSPH-NEPJUHHUSA-N 0 3 215.768 3.687 20 30 BHEDHN C=C(Cl)CN[C@H]1CCC[C@@H]1CCCC ZINC000129758034 591393097 /nfs/dbraw/zinc/39/30/97/591393097.db2.gz NJNROBZFAGZSPH-RYUDHWBXSA-N 0 3 215.768 3.687 20 30 BHEDHN C=C(Cl)CN[C@@H]1CCC[C@H]1CCCC ZINC000129758212 591392950 /nfs/dbraw/zinc/39/29/50/591392950.db2.gz NJNROBZFAGZSPH-VXGBXAGGSA-N 0 3 215.768 3.687 20 30 BHEDHN C=C(Cl)CN[C@@H]1CCC[C@@H]1CCCC ZINC000129758402 591393316 /nfs/dbraw/zinc/39/33/16/591393316.db2.gz NJNROBZFAGZSPH-NWDGAFQWSA-N 0 3 215.768 3.687 20 30 BHEDHN C=C(Cl)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000129768456 591401602 /nfs/dbraw/zinc/40/16/02/591401602.db2.gz DEAREFMMIHEKGT-LBPRGKRZSA-N 0 3 237.774 3.695 20 30 BHEDHN C=C(Cl)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000129768663 591401279 /nfs/dbraw/zinc/40/12/79/591401279.db2.gz DEAREFMMIHEKGT-GFCCVEGCSA-N 0 3 237.774 3.695 20 30 BHEDHN C=C(Cl)CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000129799459 591404989 /nfs/dbraw/zinc/40/49/89/591404989.db2.gz KAVNALPUUKPDEO-VXGBXAGGSA-N 0 3 223.747 3.521 20 30 BHEDHN C=C(Cl)CN[C@H](C)[C@H](C)c1ccccc1 ZINC000129799686 591405973 /nfs/dbraw/zinc/40/59/73/591405973.db2.gz KAVNALPUUKPDEO-NWDGAFQWSA-N 0 3 223.747 3.521 20 30 BHEDHN C=C(Cl)CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000129799872 591405422 /nfs/dbraw/zinc/40/54/22/591405422.db2.gz KAVNALPUUKPDEO-NEPJUHHUSA-N 0 3 223.747 3.521 20 30 BHEDHN C=C(Cl)CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000129800091 591405787 /nfs/dbraw/zinc/40/57/87/591405787.db2.gz KAVNALPUUKPDEO-RYUDHWBXSA-N 0 3 223.747 3.521 20 30 BHEDHN CC(C)CCN(Cc1cc(C#N)cs1)C1CC1 ZINC000129831916 387020561 /nfs/dbraw/zinc/02/05/61/387020561.db2.gz BJDAPJLANUUVEI-UHFFFAOYSA-N 0 3 248.395 3.630 20 30 BHEDHN C[C@H](C#N)CNCC1CCC(C(C)(C)C)CC1 ZINC000129887303 323009626 /nfs/dbraw/zinc/00/96/26/323009626.db2.gz JJMZSQSHSMMELI-IYXRBSQSSA-N 0 3 236.403 3.588 20 30 BHEDHN C[C@@H](C#N)CNCC1CCC(C(C)(C)C)CC1 ZINC000129887553 388874777 /nfs/dbraw/zinc/87/47/77/388874777.db2.gz JJMZSQSHSMMELI-HSBZDZAISA-N 0 3 236.403 3.588 20 30 BHEDHN N#Cc1ccc(CN(C2CC2)C2CCCC2)s1 ZINC000130223461 325026145 /nfs/dbraw/zinc/02/61/45/325026145.db2.gz SLJQPBGVKMIANV-UHFFFAOYSA-N 0 3 246.379 3.527 20 30 BHEDHN N#Cc1csc(CN(C2CC2)C2CCCC2)c1 ZINC000130228177 325026280 /nfs/dbraw/zinc/02/62/80/325026280.db2.gz KWVMPIIGDKFQJX-UHFFFAOYSA-N 0 3 246.379 3.527 20 30 BHEDHN C=C[C@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC000130438292 325051984 /nfs/dbraw/zinc/05/19/84/325051984.db2.gz NFKZHSKTMXLYJA-QMMMGPOBSA-N 0 3 230.138 3.658 20 30 BHEDHN C=C[C@@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC000130438551 385039194 /nfs/dbraw/zinc/03/91/94/385039194.db2.gz NFKZHSKTMXLYJA-MRVPVSSYSA-N 0 3 230.138 3.658 20 30 BHEDHN C=C[C@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000130444085 325052623 /nfs/dbraw/zinc/05/26/23/325052623.db2.gz CYMMYNPTMVOBLZ-LBPRGKRZSA-N 0 3 217.356 3.648 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000130444305 325052681 /nfs/dbraw/zinc/05/26/81/325052681.db2.gz CYMMYNPTMVOBLZ-GFCCVEGCSA-N 0 3 217.356 3.648 20 30 BHEDHN C=CCN(Cc1ccncc1)CC1CCCCC1 ZINC000130446933 353351896 /nfs/dbraw/zinc/35/18/96/353351896.db2.gz YDYFFUSVSHVVJQ-UHFFFAOYSA-N 0 3 244.382 3.650 20 30 BHEDHN C=C[C@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000130457221 325052991 /nfs/dbraw/zinc/05/29/91/325052991.db2.gz WYSKDJXAXVCELF-QMMMGPOBSA-N 0 3 230.138 3.658 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000130457446 325053794 /nfs/dbraw/zinc/05/37/94/325053794.db2.gz WYSKDJXAXVCELF-MRVPVSSYSA-N 0 3 230.138 3.658 20 30 BHEDHN C=C[C@H](C)NCc1csc2ccccc12 ZINC000130477654 322962740 /nfs/dbraw/zinc/96/27/40/322962740.db2.gz GWNKPVFYDFULEC-JTQLQIEISA-N 0 3 217.337 3.565 20 30 BHEDHN C=C[C@@H](C)NCc1csc2ccccc12 ZINC000130477847 325056285 /nfs/dbraw/zinc/05/62/85/325056285.db2.gz GWNKPVFYDFULEC-SNVBAGLBSA-N 0 3 217.337 3.565 20 30 BHEDHN C=C[C@H](C)NCc1ccc2ccccc2c1 ZINC000130499442 325059114 /nfs/dbraw/zinc/05/91/14/325059114.db2.gz GJXMNZGVLILAGG-LBPRGKRZSA-N 0 3 211.308 3.504 20 30 BHEDHN C=C[C@@H](C)NCc1ccc2ccccc2c1 ZINC000130499680 325058831 /nfs/dbraw/zinc/05/88/31/325058831.db2.gz GJXMNZGVLILAGG-GFCCVEGCSA-N 0 3 211.308 3.504 20 30 BHEDHN C[C@@H]1CCC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000130661789 325077895 /nfs/dbraw/zinc/07/78/95/325077895.db2.gz JDBKZHLCFACJGQ-NEPJUHHUSA-N 0 3 248.395 3.630 20 30 BHEDHN C[C@H]1CCC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000130661994 325078012 /nfs/dbraw/zinc/07/80/12/325078012.db2.gz JDBKZHLCFACJGQ-RYUDHWBXSA-N 0 3 248.395 3.630 20 30 BHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000130662223 325077546 /nfs/dbraw/zinc/07/75/46/325077546.db2.gz JDBKZHLCFACJGQ-VXGBXAGGSA-N 0 3 248.395 3.630 20 30 BHEDHN C[C@H]1CCC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000130662454 325077991 /nfs/dbraw/zinc/07/79/91/325077991.db2.gz JDBKZHLCFACJGQ-NWDGAFQWSA-N 0 3 248.395 3.630 20 30 BHEDHN C=C(C)CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000130776800 591519178 /nfs/dbraw/zinc/51/91/78/591519178.db2.gz ZSJFURBREPXYRI-CQSZACIVSA-N 0 3 243.350 3.599 20 30 BHEDHN C=C(C)CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000130777033 591519800 /nfs/dbraw/zinc/51/98/00/591519800.db2.gz ZSJFURBREPXYRI-AWEZNQCLSA-N 0 3 243.350 3.599 20 30 BHEDHN CC1(C)CCCN(Cc2ccc(C#N)s2)CC1 ZINC000130899098 370064902 /nfs/dbraw/zinc/06/49/02/370064902.db2.gz HHKOVKLNJBJADB-UHFFFAOYSA-N 0 3 248.395 3.632 20 30 BHEDHN C=CCCCN1CCC[C@H]1c1ccc(COC)o1 ZINC000131106651 353362761 /nfs/dbraw/zinc/36/27/61/353362761.db2.gz XVJJBKHVRKSEBN-AWEZNQCLSA-N 0 3 249.354 3.529 20 30 BHEDHN C=CCCCN1CCC[C@@H]1c1ccc(COC)o1 ZINC000131106846 353362464 /nfs/dbraw/zinc/36/24/64/353362464.db2.gz XVJJBKHVRKSEBN-CQSZACIVSA-N 0 3 249.354 3.529 20 30 BHEDHN C=CC[C@H](C)NCc1cccc(Cl)c1F ZINC000131134704 385071812 /nfs/dbraw/zinc/07/18/12/385071812.db2.gz MCGPOHKDYSOOTE-VIFPVBQESA-N 0 3 227.710 3.533 20 30 BHEDHN C=CC[C@@H](C)NCc1cccc(Cl)c1F ZINC000131134894 325120568 /nfs/dbraw/zinc/12/05/68/325120568.db2.gz MCGPOHKDYSOOTE-SECBINFHSA-N 0 3 227.710 3.533 20 30 BHEDHN C[C@@H](c1ccco1)N(C)CC(C)(C)CCC#N ZINC000131152926 385312818 /nfs/dbraw/zinc/31/28/18/385312818.db2.gz WEVXKOMHQNOSRE-LBPRGKRZSA-N 0 3 234.343 3.602 20 30 BHEDHN C[C@H](c1ccco1)N(C)CC(C)(C)CCC#N ZINC000131153140 385312406 /nfs/dbraw/zinc/31/24/06/385312406.db2.gz WEVXKOMHQNOSRE-GFCCVEGCSA-N 0 3 234.343 3.602 20 30 BHEDHN CCC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000131457716 325153384 /nfs/dbraw/zinc/15/33/84/325153384.db2.gz TWTNXJXTABAZHE-GFCCVEGCSA-N 0 3 248.395 3.632 20 30 BHEDHN CCC[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000131457919 325153478 /nfs/dbraw/zinc/15/34/78/325153478.db2.gz TWTNXJXTABAZHE-LBPRGKRZSA-N 0 3 248.395 3.632 20 30 BHEDHN C=C(Cl)CNC1CCC(C(C)C)CC1 ZINC000131666828 591637346 /nfs/dbraw/zinc/63/73/46/591637346.db2.gz TWDYWYFFIFAVDT-UHFFFAOYSA-N 0 3 215.768 3.543 20 30 BHEDHN C=C(C)CN[C@H](C)c1oc2ccccc2c1C ZINC000131681656 191016047 /nfs/dbraw/zinc/01/60/47/191016047.db2.gz BNUHZEMOWICSJY-GFCCVEGCSA-N 0 3 229.323 3.968 20 30 BHEDHN C=C(C)CN[C@@H](C)c1oc2ccccc2c1C ZINC000131681849 191016561 /nfs/dbraw/zinc/01/65/61/191016561.db2.gz BNUHZEMOWICSJY-LBPRGKRZSA-N 0 3 229.323 3.968 20 30 BHEDHN C=CCCCC[C@H](C)NCc1ccco1 ZINC000131926111 191018493 /nfs/dbraw/zinc/01/84/93/191018493.db2.gz PHKFRIFSRTYWOH-LBPRGKRZSA-N 0 3 207.317 3.504 20 30 BHEDHN C=CCCCC[C@@H](C)NCc1ccco1 ZINC000131926281 191018516 /nfs/dbraw/zinc/01/85/16/191018516.db2.gz PHKFRIFSRTYWOH-GFCCVEGCSA-N 0 3 207.317 3.504 20 30 BHEDHN C=CCCCC[C@H](C)NCc1ccoc1 ZINC000131929451 344239655 /nfs/dbraw/zinc/23/96/55/344239655.db2.gz QRPUJYRCRQKUNY-LBPRGKRZSA-N 0 3 207.317 3.504 20 30 BHEDHN C=CCCCC[C@@H](C)NCc1ccoc1 ZINC000131929638 344239967 /nfs/dbraw/zinc/23/99/67/344239967.db2.gz QRPUJYRCRQKUNY-GFCCVEGCSA-N 0 3 207.317 3.504 20 30 BHEDHN C=CCCCC[C@H](C)NCc1occc1C ZINC000131929853 191018548 /nfs/dbraw/zinc/01/85/48/191018548.db2.gz VWERLSIQFIIRDN-ZDUSSCGKSA-N 0 3 221.344 3.813 20 30 BHEDHN C=CCCCC[C@@H](C)NCc1occc1C ZINC000131930071 191018299 /nfs/dbraw/zinc/01/82/99/191018299.db2.gz VWERLSIQFIIRDN-CYBMUJFWSA-N 0 3 221.344 3.813 20 30 BHEDHN C=CCCCC[C@H](C)NCc1csc(C)n1 ZINC000131930295 491127055 /nfs/dbraw/zinc/12/70/55/491127055.db2.gz GHWGCVUPWNNXCM-NSHDSACASA-N 0 3 238.400 3.676 20 30 BHEDHN C=CCCCC[C@@H](C)NCc1csc(C)n1 ZINC000131930511 491134195 /nfs/dbraw/zinc/13/41/95/491134195.db2.gz GHWGCVUPWNNXCM-LLVKDONJSA-N 0 3 238.400 3.676 20 30 BHEDHN C=CCCCC[C@H](C)NCc1nc(C)cs1 ZINC000131932464 344240119 /nfs/dbraw/zinc/24/01/19/344240119.db2.gz ABIYPPOENOHYTC-NSHDSACASA-N 0 3 238.400 3.676 20 30 BHEDHN C=CCCCC[C@@H](C)NCc1nc(C)cs1 ZINC000131932667 353375841 /nfs/dbraw/zinc/37/58/41/353375841.db2.gz ABIYPPOENOHYTC-LLVKDONJSA-N 0 3 238.400 3.676 20 30 BHEDHN C=CCCCC[C@H](C)NCc1ccc(C)o1 ZINC000131933330 491134175 /nfs/dbraw/zinc/13/41/75/491134175.db2.gz CSVBJPBWYQWYKB-LBPRGKRZSA-N 0 3 221.344 3.813 20 30 BHEDHN C=CCCCC[C@@H](C)NCc1ccc(C)o1 ZINC000131933541 491134193 /nfs/dbraw/zinc/13/41/93/491134193.db2.gz CSVBJPBWYQWYKB-GFCCVEGCSA-N 0 3 221.344 3.813 20 30 BHEDHN C=C(Cl)CN[C@@H](C)Cc1ccc(Cl)cc1 ZINC000131968833 591680653 /nfs/dbraw/zinc/68/06/53/591680653.db2.gz BGIXRDQAOLPERQ-JTQLQIEISA-N 0 3 244.165 3.613 20 30 BHEDHN C=C(Cl)CN[C@H](C)Cc1ccc(Cl)cc1 ZINC000131969014 583835628 /nfs/dbraw/zinc/83/56/28/583835628.db2.gz BGIXRDQAOLPERQ-SNVBAGLBSA-N 0 3 244.165 3.613 20 30 BHEDHN C=CCCCC[C@H](C)N[C@@H](C)c1nccs1 ZINC000132007391 325194646 /nfs/dbraw/zinc/19/46/46/325194646.db2.gz BGIHAVNVNFKZLK-RYUDHWBXSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000132007597 325194711 /nfs/dbraw/zinc/19/47/11/325194711.db2.gz BGIHAVNVNFKZLK-NEPJUHHUSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCCC[C@H](C)N[C@@H](C)c1cscn1 ZINC000132010323 343187186 /nfs/dbraw/zinc/18/71/86/343187186.db2.gz SQECRMORNDKZHD-RYUDHWBXSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1cscn1 ZINC000132010554 343187146 /nfs/dbraw/zinc/18/71/46/343187146.db2.gz SQECRMORNDKZHD-NEPJUHHUSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCCC[C@H](C)N[C@H](C)c1cscn1 ZINC000132010778 343187526 /nfs/dbraw/zinc/18/75/26/343187526.db2.gz SQECRMORNDKZHD-NWDGAFQWSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@H](C)c1cscn1 ZINC000132010988 343187157 /nfs/dbraw/zinc/18/71/57/343187157.db2.gz SQECRMORNDKZHD-VXGBXAGGSA-N 0 3 238.400 3.929 20 30 BHEDHN CC[C@H](NCCCC#N)c1cccc(Cl)c1 ZINC000132056445 345314677 /nfs/dbraw/zinc/31/46/77/345314677.db2.gz JXEMDJQRPCQMIP-ZDUSSCGKSA-N 0 3 236.746 3.684 20 30 BHEDHN CC[C@@H](NCCCC#N)c1cccc(Cl)c1 ZINC000132056633 345314778 /nfs/dbraw/zinc/31/47/78/345314778.db2.gz JXEMDJQRPCQMIP-CYBMUJFWSA-N 0 3 236.746 3.684 20 30 BHEDHN C=CCCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000132445746 358723207 /nfs/dbraw/zinc/72/32/07/358723207.db2.gz OUWUCNKAEWCRHA-JTQLQIEISA-N 0 3 225.282 3.534 20 30 BHEDHN C=CCCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000132445937 358722971 /nfs/dbraw/zinc/72/29/71/358722971.db2.gz OUWUCNKAEWCRHA-SNVBAGLBSA-N 0 3 225.282 3.534 20 30 BHEDHN C=CCCN(C)Cc1ccccc1C(F)(F)F ZINC000132452471 325217546 /nfs/dbraw/zinc/21/75/46/325217546.db2.gz XZXISSYHMIXNCT-UHFFFAOYSA-N 0 3 243.272 3.713 20 30 BHEDHN C=CCCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000132566543 353383091 /nfs/dbraw/zinc/38/30/91/353383091.db2.gz SVZJRAVKBYPKQM-JTQLQIEISA-N 0 3 225.282 3.534 20 30 BHEDHN C=CCCN(C)[C@H](C)c1cc(F)ccc1F ZINC000132566724 358728153 /nfs/dbraw/zinc/72/81/53/358728153.db2.gz SVZJRAVKBYPKQM-SNVBAGLBSA-N 0 3 225.282 3.534 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1oc2ccccc2c1C ZINC000132669700 384200315 /nfs/dbraw/zinc/20/03/15/384200315.db2.gz VFIQKXBYMVBHSZ-CMPLNLGQSA-N 0 3 229.323 3.966 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1oc2ccccc2c1C ZINC000132669909 384200948 /nfs/dbraw/zinc/20/09/48/384200948.db2.gz VFIQKXBYMVBHSZ-JQWIXIFHSA-N 0 3 229.323 3.966 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1oc2ccccc2c1C ZINC000132670080 384200711 /nfs/dbraw/zinc/20/07/11/384200711.db2.gz VFIQKXBYMVBHSZ-ZYHUDNBSSA-N 0 3 229.323 3.966 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1oc2ccccc2c1C ZINC000132670310 386238771 /nfs/dbraw/zinc/23/87/71/386238771.db2.gz VFIQKXBYMVBHSZ-PWSUYJOCSA-N 0 3 229.323 3.966 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000132676182 384200290 /nfs/dbraw/zinc/20/02/90/384200290.db2.gz VNRUGJHIGVUVOU-UWVGGRQHSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000132676369 384199172 /nfs/dbraw/zinc/19/91/72/384199172.db2.gz VNRUGJHIGVUVOU-ZJUUUORDSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000132676546 384200325 /nfs/dbraw/zinc/20/03/25/384200325.db2.gz VNRUGJHIGVUVOU-VHSXEESVSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000132676763 384200360 /nfs/dbraw/zinc/20/03/60/384200360.db2.gz VNRUGJHIGVUVOU-NXEZZACHSA-N 0 3 241.281 3.513 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000132677889 384199362 /nfs/dbraw/zinc/19/93/62/384199362.db2.gz JNAIIAHNRXBPCA-UWVGGRQHSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000132678102 527416282 /nfs/dbraw/zinc/41/62/82/527416282.db2.gz JNAIIAHNRXBPCA-ZJUUUORDSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccccc1C(F)(F)F ZINC000132678294 384201168 /nfs/dbraw/zinc/20/11/68/384201168.db2.gz JNAIIAHNRXBPCA-VHSXEESVSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccccc1C(F)(F)F ZINC000132678482 384200207 /nfs/dbraw/zinc/20/02/07/384200207.db2.gz JNAIIAHNRXBPCA-NXEZZACHSA-N 0 3 243.272 3.931 20 30 BHEDHN C=C[C@H](C)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000132679674 358732743 /nfs/dbraw/zinc/73/27/43/358732743.db2.gz DYPGQRKGEDSDIA-FZMZJTMJSA-N 0 3 248.326 3.600 20 30 BHEDHN C=C[C@H](C)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000132679875 353383491 /nfs/dbraw/zinc/38/34/91/353383491.db2.gz DYPGQRKGEDSDIA-SMDDNHRTSA-N 0 3 248.326 3.600 20 30 BHEDHN C=C[C@@H](C)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000132680084 358732464 /nfs/dbraw/zinc/73/24/64/358732464.db2.gz DYPGQRKGEDSDIA-RISCZKNCSA-N 0 3 248.326 3.600 20 30 BHEDHN C=C[C@@H](C)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000132680292 358732504 /nfs/dbraw/zinc/73/25/04/358732504.db2.gz DYPGQRKGEDSDIA-BXUZGUMPSA-N 0 3 248.326 3.600 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000132680493 384200467 /nfs/dbraw/zinc/20/04/67/384200467.db2.gz GHOZUNIVBOXWTF-UONOGXRCSA-N 0 3 247.382 3.947 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000132680723 384200701 /nfs/dbraw/zinc/20/07/01/384200701.db2.gz GHOZUNIVBOXWTF-KBPBESRZSA-N 0 3 247.382 3.947 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000132680942 398228532 /nfs/dbraw/zinc/22/85/32/398228532.db2.gz GHOZUNIVBOXWTF-ZIAGYGMSSA-N 0 3 247.382 3.947 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000132681138 384200453 /nfs/dbraw/zinc/20/04/53/384200453.db2.gz GHOZUNIVBOXWTF-KGLIPLIRSA-N 0 3 247.382 3.947 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000132683205 527570845 /nfs/dbraw/zinc/57/08/45/527570845.db2.gz AIXMDOZTUZMCMG-QWHCGFSZSA-N 0 3 233.355 3.699 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000132683400 384200177 /nfs/dbraw/zinc/20/01/77/384200177.db2.gz AIXMDOZTUZMCMG-STQMWFEESA-N 0 3 233.355 3.699 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000132683595 384200827 /nfs/dbraw/zinc/20/08/27/384200827.db2.gz AIXMDOZTUZMCMG-CHWSQXEVSA-N 0 3 233.355 3.699 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000132683801 384199718 /nfs/dbraw/zinc/19/97/18/384199718.db2.gz AIXMDOZTUZMCMG-OLZOCXBDSA-N 0 3 233.355 3.699 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(OCCC)cc1 ZINC000132689758 384200335 /nfs/dbraw/zinc/20/03/35/384200335.db2.gz XVEASNILKYORTJ-QWHCGFSZSA-N 0 3 233.355 3.701 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OCCC)cc1 ZINC000132689958 527571022 /nfs/dbraw/zinc/57/10/22/527571022.db2.gz XVEASNILKYORTJ-STQMWFEESA-N 0 3 233.355 3.701 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OCCC)cc1 ZINC000132690172 384199282 /nfs/dbraw/zinc/19/92/82/384199282.db2.gz XVEASNILKYORTJ-CHWSQXEVSA-N 0 3 233.355 3.701 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OCCC)cc1 ZINC000132690380 384200020 /nfs/dbraw/zinc/20/00/20/384200020.db2.gz XVEASNILKYORTJ-OLZOCXBDSA-N 0 3 233.355 3.701 20 30 BHEDHN CC(C)(C)N(CCCC#N)Cc1ccc(F)cc1 ZINC000132736573 345341440 /nfs/dbraw/zinc/34/14/40/345341440.db2.gz AIVDTSUGYYVPFS-UHFFFAOYSA-N 0 3 248.345 3.730 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](C)c1ccco1 ZINC000133084588 191036958 /nfs/dbraw/zinc/03/69/58/191036958.db2.gz SPOJOKMRLJHALY-RYUDHWBXSA-N 0 3 207.317 3.675 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1ccco1 ZINC000133084783 191036474 /nfs/dbraw/zinc/03/64/74/191036474.db2.gz SPOJOKMRLJHALY-NEPJUHHUSA-N 0 3 207.317 3.675 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](C)c1ccco1 ZINC000133084945 191036642 /nfs/dbraw/zinc/03/66/42/191036642.db2.gz SPOJOKMRLJHALY-NWDGAFQWSA-N 0 3 207.317 3.675 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](C)c1ccco1 ZINC000133085150 191036724 /nfs/dbraw/zinc/03/67/24/191036724.db2.gz SPOJOKMRLJHALY-VXGBXAGGSA-N 0 3 207.317 3.675 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](C)c1nccs1 ZINC000133094091 191037618 /nfs/dbraw/zinc/03/76/18/191037618.db2.gz CWFULXSSIRIUFT-QWRGUYRKSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000133094300 191038335 /nfs/dbraw/zinc/03/83/35/191038335.db2.gz CWFULXSSIRIUFT-MNOVXSKESA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](C)c1nccs1 ZINC000133094494 191038272 /nfs/dbraw/zinc/03/82/72/191038272.db2.gz CWFULXSSIRIUFT-WDEREUQCSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](C)c1nccs1 ZINC000133094696 191038168 /nfs/dbraw/zinc/03/81/68/191038168.db2.gz CWFULXSSIRIUFT-GHMZBOCLSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](C)c1cscn1 ZINC000133100627 325268442 /nfs/dbraw/zinc/26/84/42/325268442.db2.gz KOOIHHFKHPQDNL-QWRGUYRKSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cscn1 ZINC000133100842 325268566 /nfs/dbraw/zinc/26/85/66/325268566.db2.gz KOOIHHFKHPQDNL-MNOVXSKESA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](C)c1cscn1 ZINC000133101032 325268263 /nfs/dbraw/zinc/26/82/63/325268263.db2.gz KOOIHHFKHPQDNL-WDEREUQCSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](C)c1cscn1 ZINC000133101247 325268676 /nfs/dbraw/zinc/26/86/76/325268676.db2.gz KOOIHHFKHPQDNL-GHMZBOCLSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000133105113 191036088 /nfs/dbraw/zinc/03/60/88/191036088.db2.gz IFYYQYIAWGVRGL-WCQYABFASA-N 0 3 221.344 3.983 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000133105344 191036330 /nfs/dbraw/zinc/03/63/30/191036330.db2.gz IFYYQYIAWGVRGL-AAEUAGOBSA-N 0 3 221.344 3.983 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000133105540 191036577 /nfs/dbraw/zinc/03/65/77/191036577.db2.gz IFYYQYIAWGVRGL-DGCLKSJQSA-N 0 3 221.344 3.983 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000133105769 191035969 /nfs/dbraw/zinc/03/59/69/191035969.db2.gz IFYYQYIAWGVRGL-YPMHNXCESA-N 0 3 221.344 3.983 20 30 BHEDHN CCC[C@@H](Cc1ccccc1)N[C@@H](CC)CC#N ZINC000133193846 325276977 /nfs/dbraw/zinc/27/69/77/325276977.db2.gz WPURANGRAWKFLG-HOTGVXAUSA-N 0 3 244.382 3.680 20 30 BHEDHN CCC[C@H](Cc1ccccc1)N[C@@H](CC)CC#N ZINC000133194035 325277111 /nfs/dbraw/zinc/27/71/11/325277111.db2.gz WPURANGRAWKFLG-JKSUJKDBSA-N 0 3 244.382 3.680 20 30 BHEDHN CCC[C@@H](Cc1ccccc1)N[C@H](CC)CC#N ZINC000133194229 325277017 /nfs/dbraw/zinc/27/70/17/325277017.db2.gz WPURANGRAWKFLG-CVEARBPZSA-N 0 3 244.382 3.680 20 30 BHEDHN CCC[C@H](Cc1ccccc1)N[C@H](CC)CC#N ZINC000133194435 325277000 /nfs/dbraw/zinc/27/70/00/325277000.db2.gz WPURANGRAWKFLG-HZPDHXFCSA-N 0 3 244.382 3.680 20 30 BHEDHN CC[C@@H](CC#N)N[C@@H](CC)Cc1ccc(C)cc1 ZINC000133197306 323017687 /nfs/dbraw/zinc/01/76/87/323017687.db2.gz FWVVODGIBGMZHP-HOTGVXAUSA-N 0 3 244.382 3.598 20 30 BHEDHN CC[C@H](CC#N)N[C@@H](CC)Cc1ccc(C)cc1 ZINC000133197519 325276789 /nfs/dbraw/zinc/27/67/89/325276789.db2.gz FWVVODGIBGMZHP-CVEARBPZSA-N 0 3 244.382 3.598 20 30 BHEDHN CC[C@H](Cc1ccc(C)cc1)N[C@@H](CC)CC#N ZINC000133197715 325277008 /nfs/dbraw/zinc/27/70/08/325277008.db2.gz FWVVODGIBGMZHP-JKSUJKDBSA-N 0 3 244.382 3.598 20 30 BHEDHN CC[C@H](CC#N)N[C@H](CC)Cc1ccc(C)cc1 ZINC000133197915 325276936 /nfs/dbraw/zinc/27/69/36/325276936.db2.gz FWVVODGIBGMZHP-HZPDHXFCSA-N 0 3 244.382 3.598 20 30 BHEDHN C=C(Br)CN[C@H](CC)C[C@H](C)CC ZINC000133320579 591785452 /nfs/dbraw/zinc/78/54/52/591785452.db2.gz SOZDQROJJOYZTB-MWLCHTKSSA-N 0 3 248.208 3.699 20 30 BHEDHN C=C(Br)CN[C@H](CC)C[C@@H](C)CC ZINC000133320808 591784859 /nfs/dbraw/zinc/78/48/59/591784859.db2.gz SOZDQROJJOYZTB-GXSJLCMTSA-N 0 3 248.208 3.699 20 30 BHEDHN C=C(Br)CN[C@@H](CC)C[C@H](C)CC ZINC000133320990 591787489 /nfs/dbraw/zinc/78/74/89/591787489.db2.gz SOZDQROJJOYZTB-KOLCDFICSA-N 0 3 248.208 3.699 20 30 BHEDHN C=C(Br)CN[C@@H](CC)C[C@@H](C)CC ZINC000133321185 582742696 /nfs/dbraw/zinc/74/26/96/582742696.db2.gz SOZDQROJJOYZTB-ONGXEEELSA-N 0 3 248.208 3.699 20 30 BHEDHN C=CCN(C)Cc1cc(Cl)nc2ccccc12 ZINC000133374063 591788828 /nfs/dbraw/zinc/78/88/28/591788828.db2.gz SMZAZFOIYDSRGD-UHFFFAOYSA-N 0 3 246.741 3.506 20 30 BHEDHN C=CCCC[C@H](C)NCc1ccc(Cl)o1 ZINC000133572535 191042093 /nfs/dbraw/zinc/04/20/93/191042093.db2.gz AKSFGXVPAPXMLD-JTQLQIEISA-N 0 3 227.735 3.767 20 30 BHEDHN C=CCCC[C@@H](C)NCc1ccc(Cl)o1 ZINC000133572717 191041036 /nfs/dbraw/zinc/04/10/36/191041036.db2.gz AKSFGXVPAPXMLD-SNVBAGLBSA-N 0 3 227.735 3.767 20 30 BHEDHN C=CCCC[C@H](C)NCc1ccc(CC)o1 ZINC000133582586 191041279 /nfs/dbraw/zinc/04/12/79/191041279.db2.gz SWTXDBGFJPVVQD-LBPRGKRZSA-N 0 3 221.344 3.676 20 30 BHEDHN C=CCCC[C@@H](C)NCc1ccc(CC)o1 ZINC000133582778 191041096 /nfs/dbraw/zinc/04/10/96/191041096.db2.gz SWTXDBGFJPVVQD-GFCCVEGCSA-N 0 3 221.344 3.676 20 30 BHEDHN C=CC[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000133645811 386353817 /nfs/dbraw/zinc/35/38/17/386353817.db2.gz OJOMUYZTPPENJG-UWVGGRQHSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000133646047 353420004 /nfs/dbraw/zinc/42/00/04/353420004.db2.gz OJOMUYZTPPENJG-ZJUUUORDSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@H](C)N[C@H](C)c1cccc(F)c1F ZINC000133646269 353424158 /nfs/dbraw/zinc/42/41/58/353424158.db2.gz OJOMUYZTPPENJG-VHSXEESVSA-N 0 3 225.282 3.580 20 30 BHEDHN C=CC[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000133646452 353424065 /nfs/dbraw/zinc/42/40/65/353424065.db2.gz OJOMUYZTPPENJG-NXEZZACHSA-N 0 3 225.282 3.580 20 30 BHEDHN C=C(CN[C@@H](C)c1ccco1)c1ccccc1 ZINC000134370258 358788601 /nfs/dbraw/zinc/78/86/01/358788601.db2.gz XWZOWLIALFYGIX-ZDUSSCGKSA-N 0 3 227.307 3.644 20 30 BHEDHN C=C(CN[C@H](C)c1ccco1)c1ccccc1 ZINC000134370280 358788589 /nfs/dbraw/zinc/78/85/89/358788589.db2.gz XWZOWLIALFYGIX-CYBMUJFWSA-N 0 3 227.307 3.644 20 30 BHEDHN CC[C@@H]1CCCCCN1Cc1ccccc1C#N ZINC000134725628 325373371 /nfs/dbraw/zinc/37/33/71/325373371.db2.gz KYQIYBYQDOECMK-MRXNPFEDSA-N 0 3 242.366 3.713 20 30 BHEDHN CC[C@H]1CCCCCN1Cc1ccccc1C#N ZINC000134725651 325373235 /nfs/dbraw/zinc/37/32/35/325373235.db2.gz KYQIYBYQDOECMK-INIZCTEOSA-N 0 3 242.366 3.713 20 30 BHEDHN C=C[C@H](C)N[C@@H]1CCCc2c(Cl)cccc21 ZINC000134928448 358810880 /nfs/dbraw/zinc/81/08/80/358810880.db2.gz IKRHWOPBNNURGM-IINYFYTJSA-N 0 3 235.758 3.882 20 30 BHEDHN C=C[C@@H](C)N[C@@H]1CCCc2c(Cl)cccc21 ZINC000134928462 358811280 /nfs/dbraw/zinc/81/12/80/358811280.db2.gz IKRHWOPBNNURGM-QMTHXVAHSA-N 0 3 235.758 3.882 20 30 BHEDHN C=C[C@H](C)N[C@H]1CCCc2c(Cl)cccc21 ZINC000134928483 358810764 /nfs/dbraw/zinc/81/07/64/358810764.db2.gz IKRHWOPBNNURGM-HZMBPMFUSA-N 0 3 235.758 3.882 20 30 BHEDHN C=C[C@@H](C)N[C@H]1CCCc2c(Cl)cccc21 ZINC000134928503 358811231 /nfs/dbraw/zinc/81/12/31/358811231.db2.gz IKRHWOPBNNURGM-YGRLFVJLSA-N 0 3 235.758 3.882 20 30 BHEDHN CC(C)N(CC#Cc1ccccc1Cl)C1CC1 ZINC000134989114 325386715 /nfs/dbraw/zinc/38/67/15/325386715.db2.gz XZKXOVKSCHFYLH-UHFFFAOYSA-N 0 3 247.769 3.564 20 30 BHEDHN CC#CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000135019662 325388865 /nfs/dbraw/zinc/38/88/65/325388865.db2.gz PRMSVPSTWNXAQE-SFHVURJKSA-N 0 3 249.357 3.583 20 30 BHEDHN CC#CCN[C@H](Cc1ccccc1)c1ccccc1 ZINC000135019684 325388908 /nfs/dbraw/zinc/38/89/08/325388908.db2.gz PRMSVPSTWNXAQE-GOSISDBHSA-N 0 3 249.357 3.583 20 30 BHEDHN CCCC1CCC(NCc2ccc(C#N)o2)CC1 ZINC000135162111 325398208 /nfs/dbraw/zinc/39/82/08/325398208.db2.gz FRZKFQIMKVLHTL-UHFFFAOYSA-N 0 3 246.354 3.600 20 30 BHEDHN C[C@H](NCc1ccc(C#N)s1)c1cccs1 ZINC000135495193 384972813 /nfs/dbraw/zinc/97/28/13/384972813.db2.gz LSFPGKYLUKFHHA-VIFPVBQESA-N 0 3 248.376 3.532 20 30 BHEDHN C[C@@H](NCc1ccc(C#N)s1)c1cccs1 ZINC000135495214 384974445 /nfs/dbraw/zinc/97/44/45/384974445.db2.gz LSFPGKYLUKFHHA-SECBINFHSA-N 0 3 248.376 3.532 20 30 BHEDHN C=CCC[C@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000135708751 388505998 /nfs/dbraw/zinc/50/59/98/388505998.db2.gz WCVKZTCJOCLLJZ-QWRGUYRKSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CCC[C@@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000135708785 325423464 /nfs/dbraw/zinc/42/34/64/325423464.db2.gz WCVKZTCJOCLLJZ-MNOVXSKESA-N 0 3 239.309 3.970 20 30 BHEDHN C=CCC[C@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000135708821 325423587 /nfs/dbraw/zinc/42/35/87/325423587.db2.gz WCVKZTCJOCLLJZ-WDEREUQCSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CCC[C@@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000135708844 325423393 /nfs/dbraw/zinc/42/33/93/325423393.db2.gz WCVKZTCJOCLLJZ-GHMZBOCLSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CCC[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000135713567 388506739 /nfs/dbraw/zinc/50/67/39/388506739.db2.gz KPXFXIWJNYMBIO-QWRGUYRKSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CCC[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000135713599 325424300 /nfs/dbraw/zinc/42/43/00/325424300.db2.gz KPXFXIWJNYMBIO-MNOVXSKESA-N 0 3 239.309 3.970 20 30 BHEDHN C=CCC[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC000135713636 325424322 /nfs/dbraw/zinc/42/43/22/325424322.db2.gz KPXFXIWJNYMBIO-WDEREUQCSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CCC[C@@H](C)N[C@H](C)c1c(F)cccc1F ZINC000135713670 388506722 /nfs/dbraw/zinc/50/67/22/388506722.db2.gz KPXFXIWJNYMBIO-GHMZBOCLSA-N 0 3 239.309 3.970 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000136203207 325445784 /nfs/dbraw/zinc/44/57/84/325445784.db2.gz WWRIRBHENZTRFH-UWVGGRQHSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000136203243 388526759 /nfs/dbraw/zinc/52/67/59/388526759.db2.gz WWRIRBHENZTRFH-ZJUUUORDSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000136203276 388527078 /nfs/dbraw/zinc/52/70/78/388527078.db2.gz WWRIRBHENZTRFH-VHSXEESVSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000136203306 388526813 /nfs/dbraw/zinc/52/68/13/388526813.db2.gz WWRIRBHENZTRFH-NXEZZACHSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000136203346 325445598 /nfs/dbraw/zinc/44/55/98/325445598.db2.gz YADPAERBUIEPSA-UWVGGRQHSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000136203382 325445652 /nfs/dbraw/zinc/44/56/52/325445652.db2.gz YADPAERBUIEPSA-ZJUUUORDSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000136203417 323181034 /nfs/dbraw/zinc/18/10/34/323181034.db2.gz YADPAERBUIEPSA-VHSXEESVSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000136203451 388526765 /nfs/dbraw/zinc/52/67/65/388526765.db2.gz YADPAERBUIEPSA-NXEZZACHSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@H](C)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000136204526 364465393 /nfs/dbraw/zinc/46/53/93/364465393.db2.gz GTDLZRPOCAZNSL-GWCFXTLKSA-N 0 3 223.747 3.955 20 30 BHEDHN C=C[C@H](C)N[C@H](CC)c1ccc(Cl)cc1 ZINC000136204567 364464858 /nfs/dbraw/zinc/46/48/58/364464858.db2.gz GTDLZRPOCAZNSL-GXFFZTMASA-N 0 3 223.747 3.955 20 30 BHEDHN C=C[C@@H](C)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000136204603 364465897 /nfs/dbraw/zinc/46/58/97/364465897.db2.gz GTDLZRPOCAZNSL-MFKMUULPSA-N 0 3 223.747 3.955 20 30 BHEDHN C=C[C@@H](C)N[C@H](CC)c1ccc(Cl)cc1 ZINC000136204640 364465619 /nfs/dbraw/zinc/46/56/19/364465619.db2.gz GTDLZRPOCAZNSL-ZWNOBZJWSA-N 0 3 223.747 3.955 20 30 BHEDHN C=CCN(Cc1ccccc1)[C@H]1C=CCCC1 ZINC000136723974 346290462 /nfs/dbraw/zinc/29/04/62/346290462.db2.gz CVCWVQZPRKTVNR-INIZCTEOSA-N 0 3 227.351 3.783 20 30 BHEDHN C=CCN(Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000136724024 346290713 /nfs/dbraw/zinc/29/07/13/346290713.db2.gz CVCWVQZPRKTVNR-MRXNPFEDSA-N 0 3 227.351 3.783 20 30 BHEDHN CC[C@@H](CC#N)N[C@@H](C)CCC1CCCC1 ZINC000136958426 323032582 /nfs/dbraw/zinc/03/25/82/323032582.db2.gz KVPWFSXZFZUTIP-JSGCOSHPSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@H](CC#N)N[C@@H](C)CCC1CCCC1 ZINC000136958470 325472974 /nfs/dbraw/zinc/47/29/74/325472974.db2.gz KVPWFSXZFZUTIP-GXTWGEPZSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@@H](CC#N)N[C@H](C)CCC1CCCC1 ZINC000136958510 388553179 /nfs/dbraw/zinc/55/31/79/388553179.db2.gz KVPWFSXZFZUTIP-OCCSQVGLSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@H](CC#N)N[C@H](C)CCC1CCCC1 ZINC000136958549 388552781 /nfs/dbraw/zinc/55/27/81/388552781.db2.gz KVPWFSXZFZUTIP-TZMCWYRMSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccc(C)cc1 ZINC000136960204 345565635 /nfs/dbraw/zinc/56/56/35/345565635.db2.gz UKOPBXCMVFHZOR-HOCLYGCPSA-N 0 3 244.382 3.598 20 30 BHEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccc(C)cc1 ZINC000136960240 345565188 /nfs/dbraw/zinc/56/51/88/345565188.db2.gz UKOPBXCMVFHZOR-GOEBONIOSA-N 0 3 244.382 3.598 20 30 BHEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccc(C)cc1 ZINC000136960282 345565528 /nfs/dbraw/zinc/56/55/28/345565528.db2.gz UKOPBXCMVFHZOR-ZBFHGGJFSA-N 0 3 244.382 3.598 20 30 BHEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccc(C)cc1 ZINC000136960318 345565138 /nfs/dbraw/zinc/56/51/38/345565138.db2.gz UKOPBXCMVFHZOR-GDBMZVCRSA-N 0 3 244.382 3.598 20 30 BHEDHN CCCC[C@@H]1CCC[C@@H]1N[C@@H](CC)CC#N ZINC000136960928 388552647 /nfs/dbraw/zinc/55/26/47/388552647.db2.gz KCTWQNZHEMMOLN-RDBSUJKOSA-N 0 3 222.376 3.627 20 30 BHEDHN CCCC[C@@H]1CCC[C@H]1N[C@@H](CC)CC#N ZINC000136961002 388552899 /nfs/dbraw/zinc/55/28/99/388552899.db2.gz KCTWQNZHEMMOLN-HZSPNIEDSA-N 0 3 222.376 3.627 20 30 BHEDHN CC#CCN[C@@H](C)c1cccc2ccccc21 ZINC000139658882 386094677 /nfs/dbraw/zinc/09/46/77/386094677.db2.gz VPKVYBUPKWFUPD-ZDUSSCGKSA-N 0 3 223.319 3.514 20 30 BHEDHN C=C(C)CNC(C)(C)c1cccc(Cl)c1 ZINC000148311057 343119851 /nfs/dbraw/zinc/11/98/51/343119851.db2.gz OCDGQCUPLUZKCE-UHFFFAOYSA-N 0 3 223.747 3.741 20 30 BHEDHN C=CCCCCCN(C)Cc1cnc(C)s1 ZINC000150896636 323002007 /nfs/dbraw/zinc/00/20/07/323002007.db2.gz HIJRJYHPHIKDCR-UHFFFAOYSA-N 0 3 238.400 3.630 20 30 BHEDHN C=CCCCCCN(C)Cc1ccc(C)cn1 ZINC000151229373 384546124 /nfs/dbraw/zinc/54/61/24/384546124.db2.gz IAHVQABVZQJFAE-UHFFFAOYSA-N 0 3 232.371 3.568 20 30 BHEDHN C=C(C)CNCc1csc2ccccc12 ZINC000153379559 201234264 /nfs/dbraw/zinc/23/42/64/201234264.db2.gz KPOJAKKCIRGWIL-UHFFFAOYSA-N 0 3 217.337 3.567 20 30 BHEDHN C=CCC[C@H](CC)N[C@@H](C)c1nccs1 ZINC000153391913 201237087 /nfs/dbraw/zinc/23/70/87/201237087.db2.gz YYELRLILEIVUQO-QWRGUYRKSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCC[C@@H](CC)N[C@@H](C)c1nccs1 ZINC000153392028 201235395 /nfs/dbraw/zinc/23/53/95/201235395.db2.gz YYELRLILEIVUQO-WDEREUQCSA-N 0 3 224.373 3.539 20 30 BHEDHN C=C(C)CNCc1ccc(Cl)c(Cl)c1 ZINC000153395540 201235995 /nfs/dbraw/zinc/23/59/95/201235995.db2.gz SSHVWRYHDXXNCY-UHFFFAOYSA-N 0 3 230.138 3.659 20 30 BHEDHN C=CC1CCN(CCCCC(F)(F)F)CC1 ZINC000153415724 388971620 /nfs/dbraw/zinc/97/16/20/388971620.db2.gz LTXXEMAKAUTKSV-UHFFFAOYSA-N 0 3 235.293 3.617 20 30 BHEDHN C=CCC[C@H](CCC)N[C@@H](C)c1nccs1 ZINC000153431027 344873678 /nfs/dbraw/zinc/87/36/78/344873678.db2.gz SFPSLCIXTWBOOI-RYUDHWBXSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1nccs1 ZINC000153431111 201237009 /nfs/dbraw/zinc/23/70/09/201237009.db2.gz SFPSLCIXTWBOOI-NWDGAFQWSA-N 0 3 238.400 3.929 20 30 BHEDHN CC(C)C[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000153456168 388975557 /nfs/dbraw/zinc/97/55/57/388975557.db2.gz ZMIHLJOLPBBCFY-LBPRGKRZSA-N 0 3 248.395 3.630 20 30 BHEDHN CC(C)C[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000153456280 388975942 /nfs/dbraw/zinc/97/59/42/388975942.db2.gz ZMIHLJOLPBBCFY-GFCCVEGCSA-N 0 3 248.395 3.630 20 30 BHEDHN C=C[C@H](C)NCc1ccc(-c2ccccc2)o1 ZINC000153635296 537840693 /nfs/dbraw/zinc/84/06/93/537840693.db2.gz UFYMNLAQNAYSLB-LBPRGKRZSA-N 0 3 227.307 3.611 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(-c2ccccc2)o1 ZINC000153635424 537840139 /nfs/dbraw/zinc/84/01/39/537840139.db2.gz UFYMNLAQNAYSLB-GFCCVEGCSA-N 0 3 227.307 3.611 20 30 BHEDHN C=CCCCCCN(C)Cc1ccc(C)nc1 ZINC000153920696 345002308 /nfs/dbraw/zinc/00/23/08/345002308.db2.gz LVYHVUXMRADFTC-UHFFFAOYSA-N 0 3 232.371 3.568 20 30 BHEDHN CCCCCN(Cc1ccc(C#N)o1)C(C)C ZINC000154353132 326140941 /nfs/dbraw/zinc/14/09/41/326140941.db2.gz ALJNRHZXWAMZLU-UHFFFAOYSA-N 0 3 234.343 3.552 20 30 BHEDHN C[C@H](NCCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000154408554 326143031 /nfs/dbraw/zinc/14/30/31/326143031.db2.gz MOCBAZIWCVEHHI-ZDUSSCGKSA-N 0 3 244.382 3.938 20 30 BHEDHN C[C@@H](NCCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000154408666 326143276 /nfs/dbraw/zinc/14/32/76/326143276.db2.gz MOCBAZIWCVEHHI-CYBMUJFWSA-N 0 3 244.382 3.938 20 30 BHEDHN CC#CCCN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000155015024 326179773 /nfs/dbraw/zinc/17/97/73/326179773.db2.gz CGRNWDBHKGOBEU-ZDUSSCGKSA-N 0 3 241.334 3.839 20 30 BHEDHN CC#CCCN(C)[C@H](C)c1cc2ccccc2o1 ZINC000155015137 326179353 /nfs/dbraw/zinc/17/93/53/326179353.db2.gz CGRNWDBHKGOBEU-CYBMUJFWSA-N 0 3 241.334 3.839 20 30 BHEDHN C=CCCOCCN[C@H](C)c1cc(C)ccc1C ZINC000155647637 201343253 /nfs/dbraw/zinc/34/32/53/201343253.db2.gz XSZGZFABRNLPAD-OAHLLOKOSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCCOCCN[C@@H](C)c1cc(C)ccc1C ZINC000155647741 201344636 /nfs/dbraw/zinc/34/46/36/201344636.db2.gz XSZGZFABRNLPAD-HNNXBMFYSA-N 0 3 247.382 3.547 20 30 BHEDHN CC#CCCN1CCCCC[C@@H]1c1ccco1 ZINC000155741032 326209954 /nfs/dbraw/zinc/20/99/54/326209954.db2.gz UJVPRFHFOBTJGE-CQSZACIVSA-N 0 3 231.339 3.610 20 30 BHEDHN CC#CCCN1CCCCC[C@H]1c1ccco1 ZINC000155741146 326209972 /nfs/dbraw/zinc/20/99/72/326209972.db2.gz UJVPRFHFOBTJGE-AWEZNQCLSA-N 0 3 231.339 3.610 20 30 BHEDHN CC(C)N(CC#Cc1cccc(Cl)c1)C1CC1 ZINC000156144404 326220548 /nfs/dbraw/zinc/22/05/48/326220548.db2.gz JUJUOTQBGFXCFM-UHFFFAOYSA-N 0 3 247.769 3.564 20 30 BHEDHN C=C[C@H](C)N[C@@H](CC)c1cccc(Cl)c1 ZINC000157215460 387768917 /nfs/dbraw/zinc/76/89/17/387768917.db2.gz FRKYIQBKMZKHQB-GWCFXTLKSA-N 0 3 223.747 3.955 20 30 BHEDHN C=C[C@H](C)N[C@H](CC)c1cccc(Cl)c1 ZINC000157215619 387771294 /nfs/dbraw/zinc/77/12/94/387771294.db2.gz FRKYIQBKMZKHQB-GXFFZTMASA-N 0 3 223.747 3.955 20 30 BHEDHN C=C[C@@H](C)N[C@@H](CC)c1cccc(Cl)c1 ZINC000157215776 387771132 /nfs/dbraw/zinc/77/11/32/387771132.db2.gz FRKYIQBKMZKHQB-MFKMUULPSA-N 0 3 223.747 3.955 20 30 BHEDHN C=C[C@@H](C)N[C@H](CC)c1cccc(Cl)c1 ZINC000157215922 385113210 /nfs/dbraw/zinc/11/32/10/385113210.db2.gz FRKYIQBKMZKHQB-ZWNOBZJWSA-N 0 3 223.747 3.955 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000157231367 387774385 /nfs/dbraw/zinc/77/43/85/387774385.db2.gz YYAZLJWXMUIFMV-YUMQZZPRSA-N 0 3 215.749 3.627 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000157231517 397933424 /nfs/dbraw/zinc/93/34/24/397933424.db2.gz YYAZLJWXMUIFMV-SFYZADRCSA-N 0 3 215.749 3.627 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000157231681 397933414 /nfs/dbraw/zinc/93/34/14/397933414.db2.gz YYAZLJWXMUIFMV-JGVFFNPUSA-N 0 3 215.749 3.627 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000157231823 397933321 /nfs/dbraw/zinc/93/33/21/397933321.db2.gz YYAZLJWXMUIFMV-HTQZYQBOSA-N 0 3 215.749 3.627 20 30 BHEDHN C=C[C@H](C)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000157239028 385097085 /nfs/dbraw/zinc/09/70/85/385097085.db2.gz MEMDXQGCIQAXPL-QXEWZRGKSA-N 0 3 239.409 3.838 20 30 BHEDHN C=C[C@H](C)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000157239178 387117434 /nfs/dbraw/zinc/11/74/34/387117434.db2.gz MEMDXQGCIQAXPL-ATZCPNFKSA-N 0 3 239.409 3.838 20 30 BHEDHN C=C[C@@H](C)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000157239323 191091005 /nfs/dbraw/zinc/09/10/05/191091005.db2.gz MEMDXQGCIQAXPL-YWVKMMECSA-N 0 3 239.409 3.838 20 30 BHEDHN C=C[C@@H](C)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000157239460 387117196 /nfs/dbraw/zinc/11/71/96/387117196.db2.gz MEMDXQGCIQAXPL-WCABBAIRSA-N 0 3 239.409 3.838 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000157255349 387775236 /nfs/dbraw/zinc/77/52/36/387775236.db2.gz DJRWIBLGJQINKU-UWVGGRQHSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000157255477 256633050 /nfs/dbraw/zinc/63/30/50/256633050.db2.gz DJRWIBLGJQINKU-ZJUUUORDSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000157255615 387775910 /nfs/dbraw/zinc/77/59/10/387775910.db2.gz DJRWIBLGJQINKU-VHSXEESVSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000157255742 191091211 /nfs/dbraw/zinc/09/12/11/191091211.db2.gz DJRWIBLGJQINKU-NXEZZACHSA-N 0 3 209.720 3.565 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000157258960 206082500 /nfs/dbraw/zinc/08/25/00/206082500.db2.gz ZVQXFZQASYXFNM-IUCAKERBSA-N 0 3 227.710 3.704 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000157259116 387776423 /nfs/dbraw/zinc/77/64/23/387776423.db2.gz ZVQXFZQASYXFNM-BDAKNGLRSA-N 0 3 227.710 3.704 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000157259245 387775836 /nfs/dbraw/zinc/77/58/36/387775836.db2.gz ZVQXFZQASYXFNM-DTWKUNHWSA-N 0 3 227.710 3.704 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000157259392 206082295 /nfs/dbraw/zinc/08/22/95/206082295.db2.gz ZVQXFZQASYXFNM-RKDXNWHRSA-N 0 3 227.710 3.704 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000157267740 387778310 /nfs/dbraw/zinc/77/83/10/387778310.db2.gz QAMAUWTWRUQWDA-QWRGUYRKSA-N 0 3 221.369 3.634 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000157267891 385122884 /nfs/dbraw/zinc/12/28/84/385122884.db2.gz QAMAUWTWRUQWDA-MNOVXSKESA-N 0 3 221.369 3.634 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000157268048 534668899 /nfs/dbraw/zinc/66/88/99/534668899.db2.gz QAMAUWTWRUQWDA-WDEREUQCSA-N 0 3 221.369 3.634 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000157268170 387777547 /nfs/dbraw/zinc/77/75/47/387777547.db2.gz QAMAUWTWRUQWDA-GHMZBOCLSA-N 0 3 221.369 3.634 20 30 BHEDHN C=C[C@H](C)N[C@@H]1CCSc2c(F)cccc21 ZINC000157268907 641616192 /nfs/dbraw/zinc/61/61/92/641616192.db2.gz IEBVORQFNJZKOF-JOYOIKCWSA-N 0 3 237.343 3.527 20 30 BHEDHN C=C[C@@H](C)N[C@@H]1CCSc2c(F)cccc21 ZINC000157269052 641616271 /nfs/dbraw/zinc/61/62/71/641616271.db2.gz IEBVORQFNJZKOF-BXKDBHETSA-N 0 3 237.343 3.527 20 30 BHEDHN C=C[C@H](C)N[C@H]1CCSc2c(F)cccc21 ZINC000157269189 133483142 /nfs/dbraw/zinc/48/31/42/133483142.db2.gz IEBVORQFNJZKOF-CABZTGNLSA-N 0 3 237.343 3.527 20 30 BHEDHN C=C[C@@H](C)N[C@H]1CCSc2c(F)cccc21 ZINC000157269333 641616793 /nfs/dbraw/zinc/61/67/93/641616793.db2.gz IEBVORQFNJZKOF-SKDRFNHKSA-N 0 3 237.343 3.527 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cnc2ccsc2c1 ZINC000157275681 385125794 /nfs/dbraw/zinc/12/57/94/385125794.db2.gz NRLDGVBYPVNNQH-UWVGGRQHSA-N 0 3 232.352 3.521 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cnc2ccsc2c1 ZINC000157275817 385126742 /nfs/dbraw/zinc/12/67/42/385126742.db2.gz NRLDGVBYPVNNQH-ZJUUUORDSA-N 0 3 232.352 3.521 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cnc2ccsc2c1 ZINC000157275959 385128134 /nfs/dbraw/zinc/12/81/34/385128134.db2.gz NRLDGVBYPVNNQH-VHSXEESVSA-N 0 3 232.352 3.521 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cnc2ccsc2c1 ZINC000157276114 385108293 /nfs/dbraw/zinc/10/82/93/385108293.db2.gz NRLDGVBYPVNNQH-NXEZZACHSA-N 0 3 232.352 3.521 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000157295350 387782119 /nfs/dbraw/zinc/78/21/19/387782119.db2.gz CUBDUVVRNDYURB-QWRGUYRKSA-N 0 3 215.296 3.658 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000157295467 387781169 /nfs/dbraw/zinc/78/11/69/387781169.db2.gz CUBDUVVRNDYURB-MNOVXSKESA-N 0 3 215.296 3.658 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000157295612 387781135 /nfs/dbraw/zinc/78/11/35/387781135.db2.gz CUBDUVVRNDYURB-WDEREUQCSA-N 0 3 215.296 3.658 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000157295763 387780608 /nfs/dbraw/zinc/78/06/08/387780608.db2.gz CUBDUVVRNDYURB-GHMZBOCLSA-N 0 3 215.296 3.658 20 30 BHEDHN CCCN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000157362783 326270696 /nfs/dbraw/zinc/27/06/96/326270696.db2.gz GXBIEJPODTUKQW-UHFFFAOYSA-N 0 3 244.382 3.838 20 30 BHEDHN C[C@@H](c1ccccc1)N(C)CCC(C)(C)C#N ZINC000157420343 176019907 /nfs/dbraw/zinc/01/99/07/176019907.db2.gz RJVOOVWVAKWJSQ-ZDUSSCGKSA-N 0 3 230.355 3.619 20 30 BHEDHN C[C@H](c1ccccc1)N(C)CCC(C)(C)C#N ZINC000157420495 177037849 /nfs/dbraw/zinc/03/78/49/177037849.db2.gz RJVOOVWVAKWJSQ-CYBMUJFWSA-N 0 3 230.355 3.619 20 30 BHEDHN CCN(CCC(C)(C)C#N)Cc1cccc(F)c1 ZINC000157434926 326274986 /nfs/dbraw/zinc/27/49/86/326274986.db2.gz DGEDRFAPXIBKTH-UHFFFAOYSA-N 0 3 248.345 3.587 20 30 BHEDHN CC(C)(C#N)CCN(Cc1ccccc1)C1CC1 ZINC000157558746 387838765 /nfs/dbraw/zinc/83/87/65/387838765.db2.gz HOJCZPHLTBXGHY-UHFFFAOYSA-N 0 3 242.366 3.591 20 30 BHEDHN CCCCCCCN(C)Cc1c(C)noc1C ZINC000157560907 641620734 /nfs/dbraw/zinc/62/07/34/641620734.db2.gz CLVQCCYUKVCRMM-UHFFFAOYSA-N 0 3 238.375 3.694 20 30 BHEDHN C=CCN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000157620181 326287182 /nfs/dbraw/zinc/28/71/82/326287182.db2.gz NVTNGKISYNDRMQ-UHFFFAOYSA-N 0 3 242.366 3.614 20 30 BHEDHN CCN(CCC(C)(C)C#N)Cc1ccccc1C ZINC000157652747 326288762 /nfs/dbraw/zinc/28/87/62/326288762.db2.gz FUHCUCUUBXBFCQ-UHFFFAOYSA-N 0 3 244.382 3.757 20 30 BHEDHN Cc1ccc([C@@H](C)N(C)CCC(C)(C)C#N)cc1 ZINC000157693696 326291002 /nfs/dbraw/zinc/29/10/02/326291002.db2.gz QJPNVVSYWZRWKF-CQSZACIVSA-N 0 3 244.382 3.928 20 30 BHEDHN Cc1ccc([C@H](C)N(C)CCC(C)(C)C#N)cc1 ZINC000157693845 326290859 /nfs/dbraw/zinc/29/08/59/326290859.db2.gz QJPNVVSYWZRWKF-AWEZNQCLSA-N 0 3 244.382 3.928 20 30 BHEDHN CCCCN(CCCC)Cc1ccc(C#N)o1 ZINC000158062659 326306867 /nfs/dbraw/zinc/30/68/67/326306867.db2.gz FJMNTAJCJUHOFW-UHFFFAOYSA-N 0 3 234.343 3.553 20 30 BHEDHN C=C[C@H](C)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000158117532 387911319 /nfs/dbraw/zinc/91/13/19/387911319.db2.gz FXWKLPUVBSAHJU-QMMMGPOBSA-N 0 3 247.235 3.509 20 30 BHEDHN C=C[C@@H](C)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000158117650 385220550 /nfs/dbraw/zinc/22/05/50/385220550.db2.gz FXWKLPUVBSAHJU-MRVPVSSYSA-N 0 3 247.235 3.509 20 30 BHEDHN C=C[C@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000158607751 387959830 /nfs/dbraw/zinc/95/98/30/387959830.db2.gz KCCBAEPXCFBKAS-JTQLQIEISA-N 0 3 223.385 3.710 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000158607888 387959341 /nfs/dbraw/zinc/95/93/41/387959341.db2.gz KCCBAEPXCFBKAS-SNVBAGLBSA-N 0 3 223.385 3.710 20 30 BHEDHN Cc1ccc([C@@H]2CCCCCN2CCCC#N)o1 ZINC000158630549 384266312 /nfs/dbraw/zinc/26/63/12/384266312.db2.gz XTKKMDSZNBYUNO-AWEZNQCLSA-N 0 3 246.354 3.809 20 30 BHEDHN Cc1ccc([C@H]2CCCCCN2CCCC#N)o1 ZINC000158630687 384263843 /nfs/dbraw/zinc/26/38/43/384263843.db2.gz XTKKMDSZNBYUNO-CQSZACIVSA-N 0 3 246.354 3.809 20 30 BHEDHN CC(C)Cc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000159201412 345416568 /nfs/dbraw/zinc/41/65/68/345416568.db2.gz FWJZSNDXCFMREW-CQSZACIVSA-N 0 3 244.382 3.839 20 30 BHEDHN CC(C)Cc1ccc([C@H](C)NCCCC#N)cc1 ZINC000159201547 345416479 /nfs/dbraw/zinc/41/64/79/345416479.db2.gz FWJZSNDXCFMREW-AWEZNQCLSA-N 0 3 244.382 3.839 20 30 BHEDHN C=CCN[C@@H](CC(C)C)c1cccs1 ZINC000159650752 388025156 /nfs/dbraw/zinc/02/51/56/388025156.db2.gz YTBXFLXMEGYMJN-NSHDSACASA-N 0 3 209.358 3.611 20 30 BHEDHN C=CCN[C@H](CC(C)C)c1cccs1 ZINC000159650893 388025073 /nfs/dbraw/zinc/02/50/73/388025073.db2.gz YTBXFLXMEGYMJN-LLVKDONJSA-N 0 3 209.358 3.611 20 30 BHEDHN C=CCN[C@@H](CC)c1ccc(Cl)s1 ZINC000159665898 384467058 /nfs/dbraw/zinc/46/70/58/384467058.db2.gz KKVVCHPMFPOJKD-QMMMGPOBSA-N 0 3 215.749 3.628 20 30 BHEDHN C=CCN[C@H](CC)c1ccc(Cl)s1 ZINC000159666028 388026099 /nfs/dbraw/zinc/02/60/99/388026099.db2.gz KKVVCHPMFPOJKD-MRVPVSSYSA-N 0 3 215.749 3.628 20 30 BHEDHN C=C[C@H](C)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000160158254 388049576 /nfs/dbraw/zinc/04/95/76/388049576.db2.gz SZTUUSDIWNFKRG-QMMMGPOBSA-N 0 3 247.235 3.509 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000160158384 388049467 /nfs/dbraw/zinc/04/94/67/388049467.db2.gz SZTUUSDIWNFKRG-MRVPVSSYSA-N 0 3 247.235 3.509 20 30 BHEDHN Cc1cccc([C@H](C)NCCC(C)(C)C#N)c1 ZINC000160257981 323064508 /nfs/dbraw/zinc/06/45/08/323064508.db2.gz ZSXPAHSJMIYJKN-ZDUSSCGKSA-N 0 3 230.355 3.586 20 30 BHEDHN C=C(C)CNCc1cc(Cl)cc(Cl)c1 ZINC000160299914 386290893 /nfs/dbraw/zinc/29/08/93/386290893.db2.gz LNLXDGDVPYDBIS-UHFFFAOYSA-N 0 3 230.138 3.659 20 30 BHEDHN CCN(Cc1cc(F)ccc1C#N)[C@@H](C)C(C)C ZINC000160435470 323066416 /nfs/dbraw/zinc/06/64/16/323066416.db2.gz GKPBYPDMKNYVMY-LBPRGKRZSA-N 0 3 248.345 3.564 20 30 BHEDHN CCN(Cc1cc(F)ccc1C#N)[C@H](C)C(C)C ZINC000160435634 323066452 /nfs/dbraw/zinc/06/64/52/323066452.db2.gz GKPBYPDMKNYVMY-GFCCVEGCSA-N 0 3 248.345 3.564 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccc(F)cc1Cl ZINC000160643617 388080996 /nfs/dbraw/zinc/08/09/96/388080996.db2.gz ZRRCJZFFXLPKDL-VIFPVBQESA-N 0 3 227.710 3.706 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccc(F)cc1Cl ZINC000160643744 219811537 /nfs/dbraw/zinc/81/15/37/219811537.db2.gz ZRRCJZFFXLPKDL-SECBINFHSA-N 0 3 227.710 3.706 20 30 BHEDHN CN(Cc1ccccc1F)CC(C)(C)CCC#N ZINC000160732916 384429468 /nfs/dbraw/zinc/42/94/68/384429468.db2.gz RTJZDXDQYAIXMD-UHFFFAOYSA-N 0 3 248.345 3.587 20 30 BHEDHN C=C(C)CN[C@@H](C)c1cc2ccccc2o1 ZINC000160761553 388087843 /nfs/dbraw/zinc/08/78/43/388087843.db2.gz WPYLVLYDVQJAMQ-NSHDSACASA-N 0 3 215.296 3.660 20 30 BHEDHN C=C(C)CN[C@H](C)c1cc2ccccc2o1 ZINC000160761662 388087905 /nfs/dbraw/zinc/08/79/05/388087905.db2.gz WPYLVLYDVQJAMQ-LLVKDONJSA-N 0 3 215.296 3.660 20 30 BHEDHN N#CCCCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000160961845 349343659 /nfs/dbraw/zinc/34/36/59/349343659.db2.gz MXWVNDSTROMJPI-HNNXBMFYSA-N 0 3 246.329 3.656 20 30 BHEDHN N#CCCCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000160962000 349344283 /nfs/dbraw/zinc/34/42/83/349344283.db2.gz MXWVNDSTROMJPI-OAHLLOKOSA-N 0 3 246.329 3.656 20 30 BHEDHN C#CCCCN(C)[C@@H](C)c1ccccc1Cl ZINC000161101185 711810709 /nfs/dbraw/zinc/81/07/09/711810709.db2.gz RSURJADVUKLIEK-LBPRGKRZSA-N 0 3 235.758 3.746 20 30 BHEDHN C#CCCCN(C)[C@H](C)c1ccccc1Cl ZINC000161101299 711810632 /nfs/dbraw/zinc/81/06/32/711810632.db2.gz RSURJADVUKLIEK-GFCCVEGCSA-N 0 3 235.758 3.746 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000161223424 538915004 /nfs/dbraw/zinc/91/50/04/538915004.db2.gz RJYJWYTWZWSGNT-IUCAKERBSA-N 0 3 227.710 3.704 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000161223539 538914935 /nfs/dbraw/zinc/91/49/35/538914935.db2.gz RJYJWYTWZWSGNT-BDAKNGLRSA-N 0 3 227.710 3.704 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000161223653 538915064 /nfs/dbraw/zinc/91/50/64/538915064.db2.gz RJYJWYTWZWSGNT-DTWKUNHWSA-N 0 3 227.710 3.704 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000161223776 538915042 /nfs/dbraw/zinc/91/50/42/538915042.db2.gz RJYJWYTWZWSGNT-RKDXNWHRSA-N 0 3 227.710 3.704 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccccc1OC(F)F ZINC000161574753 385366845 /nfs/dbraw/zinc/36/68/45/385366845.db2.gz FGAOMYIMWYUEQP-JTQLQIEISA-N 0 3 241.281 3.515 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccccc1OC(F)F ZINC000161574879 385367527 /nfs/dbraw/zinc/36/75/27/385367527.db2.gz FGAOMYIMWYUEQP-SNVBAGLBSA-N 0 3 241.281 3.515 20 30 BHEDHN C=C(Cl)CN[C@H](C)CCc1cccc(C)c1 ZINC000161743865 632399791 /nfs/dbraw/zinc/39/97/91/632399791.db2.gz KFMWWVVOEMNACP-CYBMUJFWSA-N 0 3 237.774 3.658 20 30 BHEDHN C=C(Cl)CN[C@@H](C)CCc1cccc(C)c1 ZINC000161744007 632398927 /nfs/dbraw/zinc/39/89/27/632398927.db2.gz KFMWWVVOEMNACP-ZDUSSCGKSA-N 0 3 237.774 3.658 20 30 BHEDHN C[C@H](NCCCC#N)c1ccc2c(c1)CCCC2 ZINC000162042734 384561705 /nfs/dbraw/zinc/56/17/05/384561705.db2.gz PASPGAMUQPZQET-ZDUSSCGKSA-N 0 3 242.366 3.520 20 30 BHEDHN C[C@@H](NCCCC#N)c1ccc2c(c1)CCCC2 ZINC000162042842 384562891 /nfs/dbraw/zinc/56/28/91/384562891.db2.gz PASPGAMUQPZQET-CYBMUJFWSA-N 0 3 242.366 3.520 20 30 BHEDHN C=CCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000162397440 388162279 /nfs/dbraw/zinc/16/22/79/388162279.db2.gz XMRRJDDZPQCNFK-VIFPVBQESA-N 0 3 227.710 3.706 20 30 BHEDHN C=CCCN[C@H](C)c1ccc(F)cc1Cl ZINC000162397578 388162696 /nfs/dbraw/zinc/16/26/96/388162696.db2.gz XMRRJDDZPQCNFK-SECBINFHSA-N 0 3 227.710 3.706 20 30 BHEDHN CN(Cc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000162863830 202084020 /nfs/dbraw/zinc/08/40/20/202084020.db2.gz CKTBUMURQBLHCJ-UHFFFAOYSA-N 0 3 248.757 3.586 20 30 BHEDHN CC[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000162872433 371873545 /nfs/dbraw/zinc/87/35/45/371873545.db2.gz BIXQALVKCVOOMQ-CYBMUJFWSA-N 0 3 248.757 3.586 20 30 BHEDHN CC[C@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000162872531 371873265 /nfs/dbraw/zinc/87/32/65/371873265.db2.gz BIXQALVKCVOOMQ-ZDUSSCGKSA-N 0 3 248.757 3.586 20 30 BHEDHN CC1(C)CCCN1Cc1ccc(C#N)cc1Cl ZINC000162905367 371880854 /nfs/dbraw/zinc/88/08/54/371880854.db2.gz AREPOKATMQRWGV-UHFFFAOYSA-N 0 3 248.757 3.586 20 30 BHEDHN C=CC[C@H](C)NCc1ccc(Cl)cc1F ZINC000162977524 202125419 /nfs/dbraw/zinc/12/54/19/202125419.db2.gz NYCKSAUCICAQEJ-VIFPVBQESA-N 0 3 227.710 3.533 20 30 BHEDHN C=CC[C@@H](C)NCc1ccc(Cl)cc1F ZINC000162977620 202126357 /nfs/dbraw/zinc/12/63/57/202126357.db2.gz NYCKSAUCICAQEJ-SECBINFHSA-N 0 3 227.710 3.533 20 30 BHEDHN C=C(C)COCCN[C@H](C)c1cc(C)cc(C)c1 ZINC000163508426 387686239 /nfs/dbraw/zinc/68/62/39/387686239.db2.gz IUIFFTNVGFWOSG-OAHLLOKOSA-N 0 3 247.382 3.547 20 30 BHEDHN C=C(C)COCCN[C@@H](C)c1cc(C)cc(C)c1 ZINC000163508535 387686036 /nfs/dbraw/zinc/68/60/36/387686036.db2.gz IUIFFTNVGFWOSG-HNNXBMFYSA-N 0 3 247.382 3.547 20 30 BHEDHN C=CCN[C@@H](C)c1cc2ccccc2s1 ZINC000163661101 386017283 /nfs/dbraw/zinc/01/72/83/386017283.db2.gz MUBUVNJOSXYBMS-JTQLQIEISA-N 0 3 217.337 3.738 20 30 BHEDHN C=CCN[C@H](C)c1cc2ccccc2s1 ZINC000163661183 387843319 /nfs/dbraw/zinc/84/33/19/387843319.db2.gz MUBUVNJOSXYBMS-SNVBAGLBSA-N 0 3 217.337 3.738 20 30 BHEDHN CC#CCN[C@@H](C)c1cc2ccccc2s1 ZINC000163662285 387852338 /nfs/dbraw/zinc/85/23/38/387852338.db2.gz DBMUAMLOYGFGPZ-NSHDSACASA-N 0 3 229.348 3.575 20 30 BHEDHN CC#CCN[C@H](C)c1cc2ccccc2s1 ZINC000163662413 387851617 /nfs/dbraw/zinc/85/16/17/387851617.db2.gz DBMUAMLOYGFGPZ-LLVKDONJSA-N 0 3 229.348 3.575 20 30 BHEDHN C=CCCN[C@@H](C)c1ccccc1OC(F)F ZINC000163900331 166267426 /nfs/dbraw/zinc/26/74/26/166267426.db2.gz ONWLMAIGUQXYTQ-JTQLQIEISA-N 0 3 241.281 3.515 20 30 BHEDHN C=CCCN[C@H](C)c1ccccc1OC(F)F ZINC000163900437 166267605 /nfs/dbraw/zinc/26/76/05/166267605.db2.gz ONWLMAIGUQXYTQ-SNVBAGLBSA-N 0 3 241.281 3.515 20 30 BHEDHN C=CCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000163923834 135210639 /nfs/dbraw/zinc/21/06/39/135210639.db2.gz ZDXSTGUYRCPXPE-LBPRGKRZSA-N 0 3 243.272 3.846 20 30 BHEDHN C=CCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000163923940 135210428 /nfs/dbraw/zinc/21/04/28/135210428.db2.gz ZDXSTGUYRCPXPE-GFCCVEGCSA-N 0 3 243.272 3.846 20 30 BHEDHN C=C(Cl)CNC1CC(c2ccc(C)cc2)C1 ZINC000164038243 635895855 /nfs/dbraw/zinc/89/58/55/635895855.db2.gz ADLATBNPUBISTD-UHFFFAOYSA-N 0 3 235.758 3.583 20 30 BHEDHN C=C(Cl)CNC1CC(c2ccccc2C)C1 ZINC000164038514 635895824 /nfs/dbraw/zinc/89/58/24/635895824.db2.gz UQNIVRWGCQBBNC-UHFFFAOYSA-N 0 3 235.758 3.583 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000164612383 203217871 /nfs/dbraw/zinc/21/78/71/203217871.db2.gz DMMLFKHAANBNKT-QWRGUYRKSA-N 0 3 245.322 3.667 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000164612508 203217961 /nfs/dbraw/zinc/21/79/61/203217961.db2.gz DMMLFKHAANBNKT-MNOVXSKESA-N 0 3 245.322 3.667 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cc2cccc(OC)c2o1 ZINC000164612635 203216613 /nfs/dbraw/zinc/21/66/13/203216613.db2.gz DMMLFKHAANBNKT-WDEREUQCSA-N 0 3 245.322 3.667 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cc2cccc(OC)c2o1 ZINC000164612744 203217508 /nfs/dbraw/zinc/21/75/08/203217508.db2.gz DMMLFKHAANBNKT-GHMZBOCLSA-N 0 3 245.322 3.667 20 30 BHEDHN C=C[C@H](C)NCc1ccc(F)cc1C(F)(F)F ZINC000164755352 386287583 /nfs/dbraw/zinc/28/75/83/386287583.db2.gz XDXIMBKHDVRPOV-QMMMGPOBSA-N 0 3 247.235 3.509 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(F)cc1C(F)(F)F ZINC000164755470 386286784 /nfs/dbraw/zinc/28/67/84/386286784.db2.gz XDXIMBKHDVRPOV-MRVPVSSYSA-N 0 3 247.235 3.509 20 30 BHEDHN CC(C)CC(CC(C)C)NCC(C)(C)C#N ZINC000164957025 384340286 /nfs/dbraw/zinc/34/02/86/384340286.db2.gz PSLFZDAKXJGZCZ-UHFFFAOYSA-N 0 3 224.392 3.587 20 30 BHEDHN CC#CCCNCc1c(Cl)oc2ccccc21 ZINC000166295352 203387884 /nfs/dbraw/zinc/38/78/84/203387884.db2.gz JPEQJYNZSGOJMR-UHFFFAOYSA-N 0 3 247.725 3.589 20 30 BHEDHN C=C(C)CNCc1ccc(C(C)(C)C)s1 ZINC000167456410 206145494 /nfs/dbraw/zinc/14/54/94/206145494.db2.gz KHIRXYQORCANAX-UHFFFAOYSA-N 0 3 223.385 3.711 20 30 BHEDHN C=C(C)CCN[C@@H](C)c1ccccc1Cl ZINC000168045417 206147694 /nfs/dbraw/zinc/14/76/94/206147694.db2.gz NXYZYJMXTQMKHZ-NSHDSACASA-N 0 3 223.747 3.957 20 30 BHEDHN C=C(C)CCN[C@H](C)c1ccccc1Cl ZINC000168045514 206148577 /nfs/dbraw/zinc/14/85/77/206148577.db2.gz NXYZYJMXTQMKHZ-LLVKDONJSA-N 0 3 223.747 3.957 20 30 BHEDHN C=CCCNCc1cccc(Cl)c1Cl ZINC000168549502 487519304 /nfs/dbraw/zinc/51/93/04/487519304.db2.gz PRLJXSVAWGXVER-UHFFFAOYSA-N 0 3 230.138 3.659 20 30 BHEDHN CC(C)(C)C1CCC(NCC(C)(C)C#N)CC1 ZINC000168938895 384359648 /nfs/dbraw/zinc/35/96/48/384359648.db2.gz JQKIFSUQAMZYHE-UHFFFAOYSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)(C#N)CNC1CC(C)(C)CC(C)(C)C1 ZINC000168942262 387370513 /nfs/dbraw/zinc/37/05/13/387370513.db2.gz GCORABBUYLYMOE-UHFFFAOYSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)CN(Cc1ccc(F)cc1C#N)C(C)C ZINC000171376866 372561769 /nfs/dbraw/zinc/56/17/69/372561769.db2.gz RXJUIOSPJRIFDG-UHFFFAOYSA-N 0 3 248.345 3.564 20 30 BHEDHN C=CCCCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172174144 365298907 /nfs/dbraw/zinc/29/89/07/365298907.db2.gz ACTLQWMPGTWXEY-LBPRGKRZSA-N 0 3 248.326 3.554 20 30 BHEDHN C=CCCCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172174146 365298892 /nfs/dbraw/zinc/29/88/92/365298892.db2.gz ACTLQWMPGTWXEY-GFCCVEGCSA-N 0 3 248.326 3.554 20 30 BHEDHN C=CCCN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000172619690 166259496 /nfs/dbraw/zinc/25/94/96/166259496.db2.gz KSMFJKUEJPMIDI-NSHDSACASA-N 0 3 246.379 3.865 20 30 BHEDHN C=CCCN(C)[C@H](C)c1nc2ccccc2s1 ZINC000172619692 166261835 /nfs/dbraw/zinc/26/18/35/166261835.db2.gz KSMFJKUEJPMIDI-LLVKDONJSA-N 0 3 246.379 3.865 20 30 BHEDHN CCCCCCCN(C)Cc1cnc(C)s1 ZINC000172651314 641092006 /nfs/dbraw/zinc/09/20/06/641092006.db2.gz IWVSTQFIHJYBRZ-UHFFFAOYSA-N 0 3 240.416 3.854 20 30 BHEDHN C=CCCCCCN(C)[C@@H](C)c1cccnc1 ZINC000172654287 188251693 /nfs/dbraw/zinc/25/16/93/188251693.db2.gz JYMPCNCLSIONLB-AWEZNQCLSA-N 0 3 232.371 3.821 20 30 BHEDHN C=CCCCCCN(C)[C@H](C)c1cccnc1 ZINC000172654292 188079771 /nfs/dbraw/zinc/07/97/71/188079771.db2.gz JYMPCNCLSIONLB-CQSZACIVSA-N 0 3 232.371 3.821 20 30 BHEDHN C=CCCCCCN(C)[C@@H](C)c1ccncc1 ZINC000172654840 192025352 /nfs/dbraw/zinc/02/53/52/192025352.db2.gz SQQZQBLNNLLYMN-AWEZNQCLSA-N 0 3 232.371 3.821 20 30 BHEDHN C=CCCCCCN(C)[C@H](C)c1ccncc1 ZINC000172654845 188251932 /nfs/dbraw/zinc/25/19/32/188251932.db2.gz SQQZQBLNNLLYMN-CQSZACIVSA-N 0 3 232.371 3.821 20 30 BHEDHN CCCCCCCN(C)Cc1scnc1C ZINC000172656823 641095480 /nfs/dbraw/zinc/09/54/80/641095480.db2.gz KTETXIYGPQSFEU-UHFFFAOYSA-N 0 3 240.416 3.854 20 30 BHEDHN CCC(CC)(CC)NCc1ccccc1C#N ZINC000172671391 388410723 /nfs/dbraw/zinc/41/07/23/388410723.db2.gz WYVHCWBWUHESKJ-UHFFFAOYSA-N 0 3 230.355 3.617 20 30 BHEDHN CCCCCCCNC(C)(C)c1nccs1 ZINC000173416480 641175691 /nfs/dbraw/zinc/17/56/91/641175691.db2.gz KYFWFLIOGVTLJD-UHFFFAOYSA-N 0 3 240.416 3.938 20 30 BHEDHN C=CCN(Cc1cccs1)CC1CCC1 ZINC000173460465 384221384 /nfs/dbraw/zinc/22/13/84/384221384.db2.gz SOUDXPFCNQJQGO-UHFFFAOYSA-N 0 3 221.369 3.536 20 30 BHEDHN C=CCCCN[C@@](C)(CC)c1nc(C)cs1 ZINC000173947680 166243070 /nfs/dbraw/zinc/24/30/70/166243070.db2.gz QZPAZSMPUVVKRG-ZDUSSCGKSA-N 0 3 238.400 3.633 20 30 BHEDHN C=CCCCN[C@](C)(CC)c1nc(C)cs1 ZINC000173947695 166243145 /nfs/dbraw/zinc/24/31/45/166243145.db2.gz QZPAZSMPUVVKRG-CYBMUJFWSA-N 0 3 238.400 3.633 20 30 BHEDHN C=CCCCNC(C)(C)c1nc(C)c(C)s1 ZINC000173959962 384291449 /nfs/dbraw/zinc/29/14/49/384291449.db2.gz HYUJUXHDUHPZSY-UHFFFAOYSA-N 0 3 238.400 3.551 20 30 BHEDHN N#Cc1ccc(CNCCCC2CCCCC2)o1 ZINC000174266581 374167820 /nfs/dbraw/zinc/16/78/20/374167820.db2.gz TUJDEYSDSBPDQO-UHFFFAOYSA-N 0 3 246.354 3.601 20 30 BHEDHN CCCC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000174343575 374184627 /nfs/dbraw/zinc/18/46/27/374184627.db2.gz BIKRBIGMNPXXFN-DOMZBBRYSA-N 0 3 246.354 3.600 20 30 BHEDHN CCCC[C@H]1CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000174343590 374183782 /nfs/dbraw/zinc/18/37/82/374183782.db2.gz BIKRBIGMNPXXFN-WFASDCNBSA-N 0 3 246.354 3.600 20 30 BHEDHN CCCC[C@@H]1CCC[C@H]1NCc1ccc(C#N)o1 ZINC000174343603 374184354 /nfs/dbraw/zinc/18/43/54/374184354.db2.gz BIKRBIGMNPXXFN-IUODEOHRSA-N 0 3 246.354 3.600 20 30 BHEDHN CCCC[C@H]1CCC[C@H]1NCc1ccc(C#N)o1 ZINC000174343613 374183444 /nfs/dbraw/zinc/18/34/44/374183444.db2.gz BIKRBIGMNPXXFN-SWLSCSKDSA-N 0 3 246.354 3.600 20 30 BHEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2CCCC#N)o1 ZINC000174435522 384790813 /nfs/dbraw/zinc/79/08/13/384790813.db2.gz MONDSDATBVGZMG-OCCSQVGLSA-N 0 3 246.354 3.665 20 30 BHEDHN Cc1ccc([C@H]2C[C@H](C)CCN2CCCC#N)o1 ZINC000174435537 384789818 /nfs/dbraw/zinc/78/98/18/384789818.db2.gz MONDSDATBVGZMG-TZMCWYRMSA-N 0 3 246.354 3.665 20 30 BHEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2CCCC#N)o1 ZINC000174435551 384790674 /nfs/dbraw/zinc/79/06/74/384790674.db2.gz MONDSDATBVGZMG-JSGCOSHPSA-N 0 3 246.354 3.665 20 30 BHEDHN Cc1ccc([C@H]2C[C@@H](C)CCN2CCCC#N)o1 ZINC000174435563 384790654 /nfs/dbraw/zinc/79/06/54/384790654.db2.gz MONDSDATBVGZMG-GXTWGEPZSA-N 0 3 246.354 3.665 20 30 BHEDHN N#Cc1ccc(CNCCCCC2CCCC2)o1 ZINC000174644824 374250162 /nfs/dbraw/zinc/25/01/62/374250162.db2.gz OQOSCNMFQQJCHO-UHFFFAOYSA-N 0 3 246.354 3.601 20 30 BHEDHN C[C@@H](c1ccco1)N(C)CCCC(C)(C)C#N ZINC000174835435 384841420 /nfs/dbraw/zinc/84/14/20/384841420.db2.gz OJIPNCFJQDGMCQ-LBPRGKRZSA-N 0 3 234.343 3.602 20 30 BHEDHN C[C@H](c1ccco1)N(C)CCCC(C)(C)C#N ZINC000174835442 384843499 /nfs/dbraw/zinc/84/34/99/384843499.db2.gz OJIPNCFJQDGMCQ-GFCCVEGCSA-N 0 3 234.343 3.602 20 30 BHEDHN CC(C)(C)CN(CCC#N)CCCC(C)(C)C#N ZINC000174856645 384371762 /nfs/dbraw/zinc/37/17/62/384371762.db2.gz KTWMONVJDQFAAW-UHFFFAOYSA-N 0 3 249.402 3.578 20 30 BHEDHN CC(C)CCN(CCC#N)CCCC(C)(C)C#N ZINC000174876121 527715873 /nfs/dbraw/zinc/71/58/73/527715873.db2.gz OUCYBXLSEWFSAX-UHFFFAOYSA-N 0 3 249.402 3.578 20 30 BHEDHN C[C@@H]1CCN(CCCC#N)[C@@H]1c1cccc(F)c1 ZINC000175152523 384871280 /nfs/dbraw/zinc/87/12/80/384871280.db2.gz ZVDYTLNCOAKRIB-DOMZBBRYSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@H]1CCN(CCCC#N)[C@@H]1c1cccc(F)c1 ZINC000175152542 384871707 /nfs/dbraw/zinc/87/17/07/384871707.db2.gz ZVDYTLNCOAKRIB-WFASDCNBSA-N 0 3 246.329 3.512 20 30 BHEDHN CCCC[C@@H](CCC)NCc1ccc(C#N)o1 ZINC000176991016 384837070 /nfs/dbraw/zinc/83/70/70/384837070.db2.gz FYLPCLJPNRHRCF-GFCCVEGCSA-N 0 3 234.343 3.600 20 30 BHEDHN CCCC[C@H](CCC)NCc1ccc(C#N)o1 ZINC000176991027 384835738 /nfs/dbraw/zinc/83/57/38/384835738.db2.gz FYLPCLJPNRHRCF-LBPRGKRZSA-N 0 3 234.343 3.600 20 30 BHEDHN CN(CC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000176995312 384837631 /nfs/dbraw/zinc/83/76/31/384837631.db2.gz QYGGMICFHKDWSW-UHFFFAOYSA-N 0 3 247.769 3.566 20 30 BHEDHN CC(C)N(CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000177016968 384845710 /nfs/dbraw/zinc/84/57/10/384845710.db2.gz HBTGZPJXYXRLSW-UHFFFAOYSA-N 0 3 247.769 3.564 20 30 BHEDHN CC(C)CN(Cc1cc(F)ccc1C#N)C(C)C ZINC000177264124 346595694 /nfs/dbraw/zinc/59/56/94/346595694.db2.gz HHXWQNTYJMNVKT-UHFFFAOYSA-N 0 3 248.345 3.564 20 30 BHEDHN C=CCCCCCN(C)[C@@H](C)c1ccccn1 ZINC000177267250 187227817 /nfs/dbraw/zinc/22/78/17/187227817.db2.gz JTXNVJRQBLQZHS-AWEZNQCLSA-N 0 3 232.371 3.821 20 30 BHEDHN C=CCCCCCN(C)[C@H](C)c1ccccn1 ZINC000177267269 187228115 /nfs/dbraw/zinc/22/81/15/187228115.db2.gz JTXNVJRQBLQZHS-CQSZACIVSA-N 0 3 232.371 3.821 20 30 BHEDHN C=CCC[C@H](CC)NCc1ccc(C#N)cc1F ZINC000177860092 385168386 /nfs/dbraw/zinc/16/83/86/385168386.db2.gz YIBGIBJFOOIOMA-AWEZNQCLSA-N 0 3 246.329 3.532 20 30 BHEDHN C=CCC[C@@H](CC)NCc1ccc(C#N)cc1F ZINC000177860104 385167435 /nfs/dbraw/zinc/16/74/35/385167435.db2.gz YIBGIBJFOOIOMA-CQSZACIVSA-N 0 3 246.329 3.532 20 30 BHEDHN C=CCCC[N@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000178373411 388499968 /nfs/dbraw/zinc/49/99/68/388499968.db2.gz OTXQXPZSCAFDBS-ZDUSSCGKSA-N 0 3 233.355 3.741 20 30 BHEDHN C=CCCC[N@@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000178373411 388499965 /nfs/dbraw/zinc/49/99/65/388499965.db2.gz OTXQXPZSCAFDBS-ZDUSSCGKSA-N 0 3 233.355 3.741 20 30 BHEDHN C=CCCC[N@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000178373424 388499857 /nfs/dbraw/zinc/49/98/57/388499857.db2.gz OTXQXPZSCAFDBS-CYBMUJFWSA-N 0 3 233.355 3.741 20 30 BHEDHN C=CCCC[N@@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000178373424 388499854 /nfs/dbraw/zinc/49/98/54/388499854.db2.gz OTXQXPZSCAFDBS-CYBMUJFWSA-N 0 3 233.355 3.741 20 30 BHEDHN CN(CC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000178674083 366154396 /nfs/dbraw/zinc/15/43/96/366154396.db2.gz QQMFJRVXHUGXJO-UHFFFAOYSA-N 0 3 247.769 3.566 20 30 BHEDHN C=CCC[C@H](NCc1cc[nH]c1)c1ccccc1 ZINC000178956778 166301646 /nfs/dbraw/zinc/30/16/46/166301646.db2.gz JPKHMPBRCSJPRH-INIZCTEOSA-N 0 3 240.350 3.812 20 30 BHEDHN C=CCC[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000178956790 166295563 /nfs/dbraw/zinc/29/55/63/166295563.db2.gz JPKHMPBRCSJPRH-MRXNPFEDSA-N 0 3 240.350 3.812 20 30 BHEDHN CC(C)[C@@H](C)N(Cc1ccc(C#N)s1)C1CC1 ZINC000179496408 384895619 /nfs/dbraw/zinc/89/56/19/384895619.db2.gz FGBRACRZIZNIEJ-LLVKDONJSA-N 0 3 248.395 3.629 20 30 BHEDHN CC(C)[C@H](C)N(Cc1ccc(C#N)s1)C1CC1 ZINC000179496418 384895546 /nfs/dbraw/zinc/89/55/46/384895546.db2.gz FGBRACRZIZNIEJ-NSHDSACASA-N 0 3 248.395 3.629 20 30 BHEDHN CCCCCCCCCN(C)Cc1cncnc1 ZINC000179542903 642723728 /nfs/dbraw/zinc/72/37/28/642723728.db2.gz WGFUCHMIKAFXLT-UHFFFAOYSA-N 0 3 249.402 3.659 20 30 BHEDHN C=CCCCCC[N@H+](C)Cc1ccccc1[O-] ZINC000179577002 642728370 /nfs/dbraw/zinc/72/83/70/642728370.db2.gz OWIZJPJVOJNWJQ-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=CCCCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000179577002 642728367 /nfs/dbraw/zinc/72/83/67/642728367.db2.gz OWIZJPJVOJNWJQ-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=CCCN[C@@H](CC)c1ccc(F)cc1F ZINC000179623311 205654212 /nfs/dbraw/zinc/65/42/12/205654212.db2.gz JRWREGGYEFIUQT-ZDUSSCGKSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCN[C@H](CC)c1ccc(F)cc1F ZINC000179623327 205652724 /nfs/dbraw/zinc/65/27/24/205652724.db2.gz JRWREGGYEFIUQT-CYBMUJFWSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(C)CN[C@@H](CC)c1ccc(F)cc1F ZINC000179638510 385382803 /nfs/dbraw/zinc/38/28/03/385382803.db2.gz USSGSOWNEJYUCS-ZDUSSCGKSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(C)CN[C@H](CC)c1ccc(F)cc1F ZINC000179638519 385383078 /nfs/dbraw/zinc/38/30/78/385383078.db2.gz USSGSOWNEJYUCS-CYBMUJFWSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(C)CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000179683045 366284679 /nfs/dbraw/zinc/28/46/79/366284679.db2.gz VZSJCNWOZBBPHH-CYBMUJFWSA-N 0 3 233.355 3.701 20 30 BHEDHN C=C(C)CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000179683060 366284255 /nfs/dbraw/zinc/28/42/55/366284255.db2.gz VZSJCNWOZBBPHH-ZDUSSCGKSA-N 0 3 233.355 3.701 20 30 BHEDHN C=CCN[C@@H](CC)c1ccccc1OC(F)F ZINC000179717625 387928674 /nfs/dbraw/zinc/92/86/74/387928674.db2.gz JDRSKMDHSBGXSA-NSHDSACASA-N 0 3 241.281 3.515 20 30 BHEDHN C=CCN[C@H](CC)c1ccccc1OC(F)F ZINC000179717636 385486710 /nfs/dbraw/zinc/48/67/10/385486710.db2.gz JDRSKMDHSBGXSA-LLVKDONJSA-N 0 3 241.281 3.515 20 30 BHEDHN CC1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC000179718560 385035497 /nfs/dbraw/zinc/03/54/97/385035497.db2.gz QOOUUVDAUSZKOW-UHFFFAOYSA-N 0 3 248.395 3.630 20 30 BHEDHN C=C(C)CN[C@@H](CC)c1ccccc1OCC ZINC000179754819 366300178 /nfs/dbraw/zinc/30/01/78/366300178.db2.gz WOMCAKVHKVEEAO-AWEZNQCLSA-N 0 3 233.355 3.702 20 30 BHEDHN C=C(C)CN[C@H](CC)c1ccccc1OCC ZINC000179754831 366300462 /nfs/dbraw/zinc/30/04/62/366300462.db2.gz WOMCAKVHKVEEAO-CQSZACIVSA-N 0 3 233.355 3.702 20 30 BHEDHN C=CCCCCCN(C)Cc1cnn(C(C)C)c1 ZINC000179760851 134323437 /nfs/dbraw/zinc/32/34/37/134323437.db2.gz NKWGQLWSKUARPD-UHFFFAOYSA-N 0 3 249.402 3.642 20 30 BHEDHN C=CCCN[C@@H](CC)c1cc(F)ccc1F ZINC000179782074 385380539 /nfs/dbraw/zinc/38/05/39/385380539.db2.gz KUBLNFWDSZZIPA-ZDUSSCGKSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCN[C@H](CC)c1cc(F)ccc1F ZINC000179782089 385380912 /nfs/dbraw/zinc/38/09/12/385380912.db2.gz KUBLNFWDSZZIPA-CYBMUJFWSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(C)CN[C@@H](CC)c1cc(F)ccc1F ZINC000179803338 385381981 /nfs/dbraw/zinc/38/19/81/385381981.db2.gz KDAZFPGCSIVIBR-ZDUSSCGKSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(C)CN[C@H](CC)c1cc(F)ccc1F ZINC000179803348 385381035 /nfs/dbraw/zinc/38/10/35/385381035.db2.gz KDAZFPGCSIVIBR-CYBMUJFWSA-N 0 3 225.282 3.582 20 30 BHEDHN CN(Cc1ccc(C#N)s1)CC1CCCCC1 ZINC000179936924 259305599 /nfs/dbraw/zinc/30/55/99/259305599.db2.gz DRXVFBWAFRAVEO-UHFFFAOYSA-N 0 3 248.395 3.632 20 30 BHEDHN CN(Cc1cc(C#N)cs1)CC1CCCCC1 ZINC000179937107 259305673 /nfs/dbraw/zinc/30/56/73/259305673.db2.gz XJSLUDLPJRELHK-UHFFFAOYSA-N 0 3 248.395 3.632 20 30 BHEDHN C=C(C)CNC1(c2ccc(F)cc2F)CCC1 ZINC000179994319 366348639 /nfs/dbraw/zinc/34/86/39/366348639.db2.gz UBTNTHPLSFOWAI-UHFFFAOYSA-N 0 3 237.293 3.510 20 30 BHEDHN CC(C)CCN(Cc1ccc(C#N)s1)C1CC1 ZINC000180023249 385346025 /nfs/dbraw/zinc/34/60/25/385346025.db2.gz XAJZBMNNVLLBCT-UHFFFAOYSA-N 0 3 248.395 3.630 20 30 BHEDHN C=CCC[C@H](NCCCC#N)c1ccccc1 ZINC000180049865 347010237 /nfs/dbraw/zinc/01/02/37/347010237.db2.gz KQDBZEOMOOLFCH-HNNXBMFYSA-N 0 3 228.339 3.587 20 30 BHEDHN C=CCC[C@@H](NCCCC#N)c1ccccc1 ZINC000180049878 347010254 /nfs/dbraw/zinc/01/02/54/347010254.db2.gz KQDBZEOMOOLFCH-OAHLLOKOSA-N 0 3 228.339 3.587 20 30 BHEDHN C=CCN[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000180354037 344730976 /nfs/dbraw/zinc/73/09/76/344730976.db2.gz SGRAIIVUFHJHAE-LLVKDONJSA-N 0 3 245.322 3.668 20 30 BHEDHN C=CCN[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000180354057 366434543 /nfs/dbraw/zinc/43/45/43/366434543.db2.gz SGRAIIVUFHJHAE-NSHDSACASA-N 0 3 245.322 3.668 20 30 BHEDHN CC(C)C[C@H](NCCCC#N)c1ccccc1 ZINC000180760406 347039368 /nfs/dbraw/zinc/03/93/68/347039368.db2.gz LOEJLIQKOGDAJX-HNNXBMFYSA-N 0 3 230.355 3.667 20 30 BHEDHN CC(C)C[C@@H](NCCCC#N)c1ccccc1 ZINC000180760423 347039617 /nfs/dbraw/zinc/03/96/17/347039617.db2.gz LOEJLIQKOGDAJX-OAHLLOKOSA-N 0 3 230.355 3.667 20 30 BHEDHN CC(C)c1ccc([C@@H](C)NCCCC#N)cc1 ZINC000180938978 136218191 /nfs/dbraw/zinc/21/81/91/136218191.db2.gz LFLSZGOCZVEHOP-CYBMUJFWSA-N 0 3 230.355 3.764 20 30 BHEDHN CC(C)c1ccc([C@H](C)NCCCC#N)cc1 ZINC000180938999 136218436 /nfs/dbraw/zinc/21/84/36/136218436.db2.gz LFLSZGOCZVEHOP-ZDUSSCGKSA-N 0 3 230.355 3.764 20 30 BHEDHN CC1(CNCc2ccc(C#N)o2)CCCCCC1 ZINC000181022163 366780713 /nfs/dbraw/zinc/78/07/13/366780713.db2.gz ULJURNDWWHOQLP-UHFFFAOYSA-N 0 3 246.354 3.601 20 30 BHEDHN C=C(C)CN(C)C/C(C)=C/c1ccccc1 ZINC000181053490 384433492 /nfs/dbraw/zinc/43/34/92/384433492.db2.gz BGIOIPHSCWFKDX-GXDHUFHOSA-N 0 3 215.340 3.598 20 30 BHEDHN CC(C)(C)[C@H](NCCCC#N)c1cccc(F)c1 ZINC000181072866 397791205 /nfs/dbraw/zinc/79/12/05/397791205.db2.gz NRZALEXZYAJIFP-CQSZACIVSA-N 0 3 248.345 3.806 20 30 BHEDHN CC(C)(C)[C@@H](NCCCC#N)c1cccc(F)c1 ZINC000181072881 397791342 /nfs/dbraw/zinc/79/13/42/397791342.db2.gz NRZALEXZYAJIFP-AWEZNQCLSA-N 0 3 248.345 3.806 20 30 BHEDHN C=CCCCN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000181116882 353420760 /nfs/dbraw/zinc/42/07/60/353420760.db2.gz DJGHYAFMVKDRJG-LBPRGKRZSA-N 0 3 244.338 3.787 20 30 BHEDHN C=CCCCN(C)[C@H](C)c1nc2ccccc2o1 ZINC000181116898 534714353 /nfs/dbraw/zinc/71/43/53/534714353.db2.gz DJGHYAFMVKDRJG-GFCCVEGCSA-N 0 3 244.338 3.787 20 30 BHEDHN C=C(C)CN(C)Cc1cc(C)nc2ccccc12 ZINC000181266559 384474678 /nfs/dbraw/zinc/47/46/78/384474678.db2.gz YLUUVQRVTJFETK-UHFFFAOYSA-N 0 3 240.350 3.551 20 30 BHEDHN C=CCN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181290549 134335236 /nfs/dbraw/zinc/33/52/36/134335236.db2.gz VLFLPTSDRCFMPJ-ZDUSSCGKSA-N 0 3 238.334 3.585 20 30 BHEDHN C=CCN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181290562 134335340 /nfs/dbraw/zinc/33/53/40/134335340.db2.gz VLFLPTSDRCFMPJ-CYBMUJFWSA-N 0 3 238.334 3.585 20 30 BHEDHN N#CCCCN[C@H](CC1CCC1)c1ccccc1 ZINC000181353885 134335585 /nfs/dbraw/zinc/33/55/85/134335585.db2.gz UPPWSXSHSHOSHJ-MRXNPFEDSA-N 0 3 242.366 3.811 20 30 BHEDHN N#CCCCN[C@@H](CC1CCC1)c1ccccc1 ZINC000181353898 134335513 /nfs/dbraw/zinc/33/55/13/134335513.db2.gz UPPWSXSHSHOSHJ-INIZCTEOSA-N 0 3 242.366 3.811 20 30 BHEDHN C=CCCCN[C@@H](C)c1ccc(F)cc1F ZINC000181584377 385409836 /nfs/dbraw/zinc/40/98/36/385409836.db2.gz WCRUQMYRGSIZIN-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCCN[C@H](C)c1ccc(F)cc1F ZINC000181584397 385410042 /nfs/dbraw/zinc/41/00/42/385410042.db2.gz WCRUQMYRGSIZIN-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCN[C@@H](CCC)c1ccc(F)cc1F ZINC000181666415 259364773 /nfs/dbraw/zinc/36/47/73/259364773.db2.gz PQMQNKJRUCGLKR-ZDUSSCGKSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCN[C@H](CCC)c1ccc(F)cc1F ZINC000181666435 259364731 /nfs/dbraw/zinc/36/47/31/259364731.db2.gz PQMQNKJRUCGLKR-CYBMUJFWSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCN[C@@H](CC(C)C)c1ccccc1OC ZINC000181705253 366841225 /nfs/dbraw/zinc/84/12/25/366841225.db2.gz GXLJLEXZWDPUJF-AWEZNQCLSA-N 0 3 233.355 3.558 20 30 BHEDHN C=CCN[C@H](CC(C)C)c1ccccc1OC ZINC000181705268 366841620 /nfs/dbraw/zinc/84/16/20/366841620.db2.gz GXLJLEXZWDPUJF-CQSZACIVSA-N 0 3 233.355 3.558 20 30 BHEDHN C=CCCN[C@@H](C)c1c(F)cccc1Cl ZINC000181740287 323079098 /nfs/dbraw/zinc/07/90/98/323079098.db2.gz UVUCAKLGHYMLPO-VIFPVBQESA-N 0 3 227.710 3.706 20 30 BHEDHN C=CCCN[C@H](C)c1c(F)cccc1Cl ZINC000181740308 323079115 /nfs/dbraw/zinc/07/91/15/323079115.db2.gz UVUCAKLGHYMLPO-SECBINFHSA-N 0 3 227.710 3.706 20 30 BHEDHN C=CCN[C@H](C)c1ccc(SCC)cc1 ZINC000182121208 385430264 /nfs/dbraw/zinc/43/02/64/385430264.db2.gz QKNQRJBJADAHPE-LLVKDONJSA-N 0 3 221.369 3.635 20 30 BHEDHN C=CCN[C@@H](C)c1ccc(SCC)cc1 ZINC000182121221 385430897 /nfs/dbraw/zinc/43/08/97/385430897.db2.gz QKNQRJBJADAHPE-NSHDSACASA-N 0 3 221.369 3.635 20 30 BHEDHN CCSc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000182135967 366870236 /nfs/dbraw/zinc/87/02/36/366870236.db2.gz HLXSBOPWKADXMQ-GFCCVEGCSA-N 0 3 248.395 3.753 20 30 BHEDHN CCSc1ccc([C@H](C)NCCCC#N)cc1 ZINC000182135991 366870368 /nfs/dbraw/zinc/87/03/68/366870368.db2.gz HLXSBOPWKADXMQ-LBPRGKRZSA-N 0 3 248.395 3.753 20 30 BHEDHN C=C(C)C[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000182629235 643047034 /nfs/dbraw/zinc/04/70/34/643047034.db2.gz VMYSCQORCRKSIO-UHFFFAOYSA-N 0 3 241.334 3.553 20 30 BHEDHN C=C(C)C[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000182629235 643047025 /nfs/dbraw/zinc/04/70/25/643047025.db2.gz VMYSCQORCRKSIO-UHFFFAOYSA-N 0 3 241.334 3.553 20 30 BHEDHN N#CCCCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000183726873 347134610 /nfs/dbraw/zinc/13/46/10/347134610.db2.gz HMFQBUKGKASOHP-CQSZACIVSA-N 0 3 248.757 3.684 20 30 BHEDHN N#CCCCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000183726888 347134649 /nfs/dbraw/zinc/13/46/49/347134649.db2.gz HMFQBUKGKASOHP-AWEZNQCLSA-N 0 3 248.757 3.684 20 30 BHEDHN C=CCN(CC=C)Cc1ccc(C(F)F)cc1 ZINC000183925322 388572267 /nfs/dbraw/zinc/57/22/67/388572267.db2.gz KYIKWIDPIDVKOC-UHFFFAOYSA-N 0 3 237.293 3.798 20 30 BHEDHN C=C(C)CN(C)Cc1ccc(C(F)F)cc1 ZINC000183994638 134355776 /nfs/dbraw/zinc/35/57/76/134355776.db2.gz HHGQPIWWFAQAFM-UHFFFAOYSA-N 0 3 225.282 3.632 20 30 BHEDHN Cc1c2ccccc2oc1[C@@H](C)NCCCC#N ZINC000184088120 347149365 /nfs/dbraw/zinc/14/93/65/347149365.db2.gz OOEPOQWIDVCZLD-GFCCVEGCSA-N 0 3 242.322 3.696 20 30 BHEDHN CCC[C@@H](CN[C@@H](CC)CC#N)c1ccccc1 ZINC000184092524 367064756 /nfs/dbraw/zinc/06/47/56/367064756.db2.gz YBZVENAIZRCQQQ-HOTGVXAUSA-N 0 3 244.382 3.852 20 30 BHEDHN CCC[C@H](CN[C@@H](CC)CC#N)c1ccccc1 ZINC000184092537 367064137 /nfs/dbraw/zinc/06/41/37/367064137.db2.gz YBZVENAIZRCQQQ-CVEARBPZSA-N 0 3 244.382 3.852 20 30 BHEDHN CCC[C@@H](CN[C@H](CC)CC#N)c1ccccc1 ZINC000184092559 367064243 /nfs/dbraw/zinc/06/42/43/367064243.db2.gz YBZVENAIZRCQQQ-JKSUJKDBSA-N 0 3 244.382 3.852 20 30 BHEDHN CCC[C@H](CN[C@H](CC)CC#N)c1ccccc1 ZINC000184092577 367064892 /nfs/dbraw/zinc/06/48/92/367064892.db2.gz YBZVENAIZRCQQQ-HZPDHXFCSA-N 0 3 244.382 3.852 20 30 BHEDHN CCC[C@@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000184232052 367070237 /nfs/dbraw/zinc/07/02/37/367070237.db2.gz AGSMYBAUJKPJOY-CYBMUJFWSA-N 0 3 248.395 3.774 20 30 BHEDHN CCC[C@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000184232068 367070529 /nfs/dbraw/zinc/07/05/29/367070529.db2.gz AGSMYBAUJKPJOY-ZDUSSCGKSA-N 0 3 248.395 3.774 20 30 BHEDHN CCC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000184234050 367070761 /nfs/dbraw/zinc/07/07/61/367070761.db2.gz BFPGVNKXPUZQJD-GFCCVEGCSA-N 0 3 248.395 3.774 20 30 BHEDHN CCC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000184234071 367070314 /nfs/dbraw/zinc/07/03/14/367070314.db2.gz BFPGVNKXPUZQJD-LBPRGKRZSA-N 0 3 248.395 3.774 20 30 BHEDHN C=CCN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000184331996 367073888 /nfs/dbraw/zinc/07/38/88/367073888.db2.gz DCRFGIPCEPLSKF-LLVKDONJSA-N 0 3 245.322 3.586 20 30 BHEDHN C=CCN[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000184332014 367073517 /nfs/dbraw/zinc/07/35/17/367073517.db2.gz DCRFGIPCEPLSKF-NSHDSACASA-N 0 3 245.322 3.586 20 30 BHEDHN C[C@H](NCCCC#N)c1cc2ccccc2s1 ZINC000184366776 347160276 /nfs/dbraw/zinc/16/02/76/347160276.db2.gz ANMOYOZYJAVBFE-NSHDSACASA-N 0 3 244.363 3.856 20 30 BHEDHN C[C@@H](NCCCC#N)c1cc2ccccc2s1 ZINC000184366795 134927228 /nfs/dbraw/zinc/92/72/28/134927228.db2.gz ANMOYOZYJAVBFE-LLVKDONJSA-N 0 3 244.363 3.856 20 30 BHEDHN C=CCCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184484722 386602860 /nfs/dbraw/zinc/60/28/60/386602860.db2.gz HHLZWWOJTIPFEH-JTQLQIEISA-N 0 3 238.400 3.667 20 30 BHEDHN C=CCCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184484739 398042035 /nfs/dbraw/zinc/04/20/35/398042035.db2.gz HHLZWWOJTIPFEH-SNVBAGLBSA-N 0 3 238.400 3.667 20 30 BHEDHN CCCCCCCN[C@@H](COC)c1ccco1 ZINC000184517261 634009710 /nfs/dbraw/zinc/00/97/10/634009710.db2.gz WJAUJKWPGKSQIK-ZDUSSCGKSA-N 0 3 239.359 3.527 20 30 BHEDHN CC/C=C/CCN(CCC#N)CC(C)(C)C ZINC000184568677 388579980 /nfs/dbraw/zinc/57/99/80/388579980.db2.gz BNMRGYQXENHUBV-VOTSOKGWSA-N 0 3 222.376 3.604 20 30 BHEDHN C=CCN[C@@H](Cc1ccccc1)c1cccs1 ZINC000184985325 490229885 /nfs/dbraw/zinc/22/98/85/490229885.db2.gz LMINWTSNSORFKA-AWEZNQCLSA-N 0 3 243.375 3.808 20 30 BHEDHN C=CCN[C@H](Cc1ccccc1)c1cccs1 ZINC000184985343 347187288 /nfs/dbraw/zinc/18/72/88/347187288.db2.gz LMINWTSNSORFKA-CQSZACIVSA-N 0 3 243.375 3.808 20 30 BHEDHN N#Cc1ccc(CNCCC2=CCCCCC2)o1 ZINC000185406756 181108195 /nfs/dbraw/zinc/10/81/95/181108195.db2.gz VHGJFUYWRLUXPY-UHFFFAOYSA-N 0 3 244.338 3.521 20 30 BHEDHN Cc1ccc2nccc(NCCCCC#N)c2c1 ZINC000185632384 134386493 /nfs/dbraw/zinc/38/64/93/134386493.db2.gz DFAXEQZSCGSOAE-UHFFFAOYSA-N 0 3 239.322 3.649 20 30 BHEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC000185759082 347213085 /nfs/dbraw/zinc/21/30/85/347213085.db2.gz GVLMBKLIICLNCW-WCQYABFASA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2Cl)C1 ZINC000185759100 347213715 /nfs/dbraw/zinc/21/37/15/347213715.db2.gz GVLMBKLIICLNCW-AAEUAGOBSA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC000185759121 347213392 /nfs/dbraw/zinc/21/33/92/347213392.db2.gz GVLMBKLIICLNCW-DGCLKSJQSA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2Cl)C1 ZINC000185759136 347213601 /nfs/dbraw/zinc/21/36/01/347213601.db2.gz GVLMBKLIICLNCW-YPMHNXCESA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(Cl)c2)C1 ZINC000185759163 347213108 /nfs/dbraw/zinc/21/31/08/347213108.db2.gz SONUTDRIZHXVRA-SMDDNHRTSA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@H]1CCC[C@H](NCc2cccc(Cl)c2)C1 ZINC000185759183 347213186 /nfs/dbraw/zinc/21/31/86/347213186.db2.gz SONUTDRIZHXVRA-FZMZJTMJSA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(Cl)c2)C1 ZINC000185759202 347213292 /nfs/dbraw/zinc/21/32/92/347213292.db2.gz SONUTDRIZHXVRA-BXUZGUMPSA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(Cl)c2)C1 ZINC000185759224 347213611 /nfs/dbraw/zinc/21/36/11/347213611.db2.gz SONUTDRIZHXVRA-RISCZKNCSA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Cl)cc2)C1 ZINC000185763908 347213742 /nfs/dbraw/zinc/21/37/42/347213742.db2.gz GQSSGPOCFJJBKH-GXTWGEPZSA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Cl)cc2)C1 ZINC000185763929 347213262 /nfs/dbraw/zinc/21/32/62/347213262.db2.gz GQSSGPOCFJJBKH-JSGCOSHPSA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2)C1 ZINC000185763949 134932432 /nfs/dbraw/zinc/93/24/32/134932432.db2.gz GQSSGPOCFJJBKH-TZMCWYRMSA-N 0 3 248.757 3.512 20 30 BHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Cl)cc2)C1 ZINC000185763965 136275248 /nfs/dbraw/zinc/27/52/48/136275248.db2.gz GQSSGPOCFJJBKH-OCCSQVGLSA-N 0 3 248.757 3.512 20 30 BHEDHN C[C@@H](c1cccc(C#N)c1)N1CCCC(C)(C)C1 ZINC000186113709 387512105 /nfs/dbraw/zinc/51/21/05/387512105.db2.gz XVTIMABSJOEAKG-ZDUSSCGKSA-N 0 3 242.366 3.741 20 30 BHEDHN C[C@H](c1cccc(C#N)c1)N1CCCC(C)(C)C1 ZINC000186113730 387513250 /nfs/dbraw/zinc/51/32/50/387513250.db2.gz XVTIMABSJOEAKG-CYBMUJFWSA-N 0 3 242.366 3.741 20 30 BHEDHN C=CCC[C@H](C)NC1(c2ccccc2F)CC1 ZINC000186322787 346503221 /nfs/dbraw/zinc/50/32/21/346503221.db2.gz ILFHGHSFRLDXBC-LBPRGKRZSA-N 0 3 233.330 3.759 20 30 BHEDHN C=CCC[C@@H](C)NC1(c2ccccc2F)CC1 ZINC000186322802 346503249 /nfs/dbraw/zinc/50/32/49/346503249.db2.gz ILFHGHSFRLDXBC-GFCCVEGCSA-N 0 3 233.330 3.759 20 30 BHEDHN C=CC[C@H](C)N[C@H](C)c1csc(C(C)C)n1 ZINC000186408416 349428526 /nfs/dbraw/zinc/42/85/26/349428526.db2.gz JVCOFZBIIQUMSO-WDEREUQCSA-N 0 3 238.400 3.882 20 30 BHEDHN C=CC[C@H](C)N[C@@H](C)c1csc(C(C)C)n1 ZINC000186408431 349428430 /nfs/dbraw/zinc/42/84/30/349428430.db2.gz JVCOFZBIIQUMSO-QWRGUYRKSA-N 0 3 238.400 3.882 20 30 BHEDHN C=CC[C@@H](C)N[C@H](C)c1csc(C(C)C)n1 ZINC000186408445 349428118 /nfs/dbraw/zinc/42/81/18/349428118.db2.gz JVCOFZBIIQUMSO-GHMZBOCLSA-N 0 3 238.400 3.882 20 30 BHEDHN C=CC[C@@H](C)N[C@@H](C)c1csc(C(C)C)n1 ZINC000186408465 349428105 /nfs/dbraw/zinc/42/81/05/349428105.db2.gz JVCOFZBIIQUMSO-MNOVXSKESA-N 0 3 238.400 3.882 20 30 BHEDHN C=C(C)[C@@H](NC(C)C)c1ccc(F)c(F)c1 ZINC000186446905 385761173 /nfs/dbraw/zinc/76/11/73/385761173.db2.gz OAOANKSRNVASTQ-CYBMUJFWSA-N 0 3 225.282 3.580 20 30 BHEDHN C=C(C)[C@H](NC(C)C)c1ccc(F)c(F)c1 ZINC000186446923 385761242 /nfs/dbraw/zinc/76/12/42/385761242.db2.gz OAOANKSRNVASTQ-ZDUSSCGKSA-N 0 3 225.282 3.580 20 30 BHEDHN CN(Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000186515564 386992590 /nfs/dbraw/zinc/99/25/90/386992590.db2.gz VAYLHQGBRLDMLA-UHFFFAOYSA-N 0 3 248.757 3.586 20 30 BHEDHN C=C(C)CN1CCC(c2ccsc2)CC1 ZINC000186908077 387145777 /nfs/dbraw/zinc/14/57/77/387145777.db2.gz LCWUGRFJPQTMJS-UHFFFAOYSA-N 0 3 221.369 3.504 20 30 BHEDHN C=C(C)[C@H](NCC1CC1)c1ccc(F)c(F)c1 ZINC000187375645 388608395 /nfs/dbraw/zinc/60/83/95/388608395.db2.gz LFTFAOUEWVVYEF-AWEZNQCLSA-N 0 3 237.293 3.582 20 30 BHEDHN C=C(C)[C@@H](NCC1CC1)c1ccc(F)c(F)c1 ZINC000187375664 388608316 /nfs/dbraw/zinc/60/83/16/388608316.db2.gz LFTFAOUEWVVYEF-CQSZACIVSA-N 0 3 237.293 3.582 20 30 BHEDHN C=CC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187689715 386576476 /nfs/dbraw/zinc/57/64/76/386576476.db2.gz GMTQOYQPIYLNBX-ZDUSSCGKSA-N 0 3 240.350 3.517 20 30 BHEDHN C=CC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187689737 386578052 /nfs/dbraw/zinc/57/80/52/386578052.db2.gz GMTQOYQPIYLNBX-CYBMUJFWSA-N 0 3 240.350 3.517 20 30 BHEDHN C=C(C)[C@H](NCCCF)c1ccc(F)c(F)c1 ZINC000187788854 384311026 /nfs/dbraw/zinc/31/10/26/384311026.db2.gz XWBHNSRWMQCWIJ-ZDUSSCGKSA-N 0 3 243.272 3.531 20 30 BHEDHN C=C(C)[C@@H](NCCCF)c1ccc(F)c(F)c1 ZINC000187788876 384311281 /nfs/dbraw/zinc/31/12/81/384311281.db2.gz XWBHNSRWMQCWIJ-CYBMUJFWSA-N 0 3 243.272 3.531 20 30 BHEDHN C=C(C)CN[C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187793949 346445097 /nfs/dbraw/zinc/44/50/97/346445097.db2.gz SQNVIERRPQAOCI-CQSZACIVSA-N 0 3 237.293 3.748 20 30 BHEDHN C=C(C)CN[C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187793965 346444989 /nfs/dbraw/zinc/44/49/89/346444989.db2.gz SQNVIERRPQAOCI-AWEZNQCLSA-N 0 3 237.293 3.748 20 30 BHEDHN C=C(C)CN(C)Cc1ccc2nc(C)ccc2c1 ZINC000188302152 386356701 /nfs/dbraw/zinc/35/67/01/386356701.db2.gz IARQFTNVPCNYKC-UHFFFAOYSA-N 0 3 240.350 3.551 20 30 BHEDHN CCC1(CC)CCN(Cc2ccc(C#N)o2)CC1 ZINC000188660110 357571531 /nfs/dbraw/zinc/57/15/31/357571531.db2.gz HKUKPCZRBDDBSF-UHFFFAOYSA-N 0 3 246.354 3.553 20 30 BHEDHN C=C(C)CN(CC)[C@@H](C)c1cccc(C#N)c1 ZINC000189768922 188080744 /nfs/dbraw/zinc/08/07/44/188080744.db2.gz AFXSXRKAQGRZHJ-ZDUSSCGKSA-N 0 3 228.339 3.517 20 30 BHEDHN C=C(C)CN(CC)[C@H](C)c1cccc(C#N)c1 ZINC000189768938 188254138 /nfs/dbraw/zinc/25/41/38/188254138.db2.gz AFXSXRKAQGRZHJ-CYBMUJFWSA-N 0 3 228.339 3.517 20 30 BHEDHN C=CCCCN1CCC[C@H]1c1csc(C)n1 ZINC000189852672 166235089 /nfs/dbraw/zinc/23/50/89/166235089.db2.gz QLUZGXQQURVXMD-ZDUSSCGKSA-N 0 3 236.384 3.555 20 30 BHEDHN C=CCCCN1CCC[C@@H]1c1csc(C)n1 ZINC000189852692 166234232 /nfs/dbraw/zinc/23/42/32/166234232.db2.gz QLUZGXQQURVXMD-CYBMUJFWSA-N 0 3 236.384 3.555 20 30 BHEDHN C=CCCCCCN(C)Cc1cncc(C)c1 ZINC000189897778 527129035 /nfs/dbraw/zinc/12/90/35/527129035.db2.gz NXXBWUDUBXSIJO-UHFFFAOYSA-N 0 3 232.371 3.568 20 30 BHEDHN C[C@@H](CCNCc1ccc(C#N)o1)CC(C)(C)C ZINC000191116823 205931105 /nfs/dbraw/zinc/93/11/05/205931105.db2.gz CLLFOWCQSJIHKM-LBPRGKRZSA-N 0 3 248.370 3.703 20 30 BHEDHN C[C@H](CCNCc1ccc(C#N)o1)CC(C)(C)C ZINC000191116839 387348592 /nfs/dbraw/zinc/34/85/92/387348592.db2.gz CLLFOWCQSJIHKM-GFCCVEGCSA-N 0 3 248.370 3.703 20 30 BHEDHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c(C)o1 ZINC000192774849 387532650 /nfs/dbraw/zinc/53/26/50/387532650.db2.gz TUIOPMLIYGDDQL-FPMFFAJLSA-N 0 3 246.354 3.629 20 30 BHEDHN Cc1cc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c(C)o1 ZINC000192774876 387533940 /nfs/dbraw/zinc/53/39/40/387533940.db2.gz TUIOPMLIYGDDQL-UBHSHLNASA-N 0 3 246.354 3.629 20 30 BHEDHN CC(C)N(Cc1ccccc1C#N)CC1CCC1 ZINC000193202456 388799805 /nfs/dbraw/zinc/79/98/05/388799805.db2.gz FZCIJZBYUBCFKI-UHFFFAOYSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@H](CC1CCCCC1)NCc1ccc(C#N)o1 ZINC000193274460 388698234 /nfs/dbraw/zinc/69/82/34/388698234.db2.gz YUBSQWPNLZOCIK-GFCCVEGCSA-N 0 3 246.354 3.600 20 30 BHEDHN CC(C)=CCC[C@H](C)CCNC[C@@H](C)C#N ZINC000193312622 367165468 /nfs/dbraw/zinc/16/54/68/367165468.db2.gz ZXLCRGUKVHJGRD-KBPBESRZSA-N 0 3 222.376 3.508 20 30 BHEDHN CC(C)=CCC[C@@H](C)CCNC[C@@H](C)C#N ZINC000193312630 367165262 /nfs/dbraw/zinc/16/52/62/367165262.db2.gz ZXLCRGUKVHJGRD-KGLIPLIRSA-N 0 3 222.376 3.508 20 30 BHEDHN CC(C)=CCC[C@H](C)CCNC[C@H](C)C#N ZINC000193312644 356898572 /nfs/dbraw/zinc/89/85/72/356898572.db2.gz ZXLCRGUKVHJGRD-UONOGXRCSA-N 0 3 222.376 3.508 20 30 BHEDHN CC(C)=CCC[C@@H](C)CCNC[C@H](C)C#N ZINC000193312659 367165033 /nfs/dbraw/zinc/16/50/33/367165033.db2.gz ZXLCRGUKVHJGRD-ZIAGYGMSSA-N 0 3 222.376 3.508 20 30 BHEDHN C=CCCCCCN(CC)Cc1ccccn1 ZINC000193387469 388703625 /nfs/dbraw/zinc/70/36/25/388703625.db2.gz OHEIDLKZHLNGFJ-UHFFFAOYSA-N 0 3 232.371 3.650 20 30 BHEDHN C=CCCCCCNC(C)(C)c1nccs1 ZINC000193429048 353593098 /nfs/dbraw/zinc/59/30/98/353593098.db2.gz HHYNKRQTUJKMBU-UHFFFAOYSA-N 0 3 238.400 3.714 20 30 BHEDHN C=CCCCCCN(Cc1cccnc1)C1CC1 ZINC000193453995 388705121 /nfs/dbraw/zinc/70/51/21/388705121.db2.gz XNWDHCVVQOPOHH-UHFFFAOYSA-N 0 3 244.382 3.792 20 30 BHEDHN C=CCCCCCN(Cc1ccncc1)C1CC1 ZINC000193454249 388705116 /nfs/dbraw/zinc/70/51/16/388705116.db2.gz DFGOYNGZIQMZSP-UHFFFAOYSA-N 0 3 244.382 3.792 20 30 BHEDHN C=CCCCCCN(Cc1ccccn1)C1CC1 ZINC000193467517 388705283 /nfs/dbraw/zinc/70/52/83/388705283.db2.gz URQSXGFNOZIVDD-UHFFFAOYSA-N 0 3 244.382 3.792 20 30 BHEDHN C=CCCCCCN[C@@H](CC)c1nccs1 ZINC000194358997 206088005 /nfs/dbraw/zinc/08/80/05/206088005.db2.gz UOPUUYPHDGKMBF-LBPRGKRZSA-N 0 3 238.400 3.930 20 30 BHEDHN C=CCCCCCN[C@H](CC)c1nccs1 ZINC000194359006 206088359 /nfs/dbraw/zinc/08/83/59/206088359.db2.gz UOPUUYPHDGKMBF-GFCCVEGCSA-N 0 3 238.400 3.930 20 30 BHEDHN C=CCCCCCN[C@@H](C)c1nccs1 ZINC000194359026 206087916 /nfs/dbraw/zinc/08/79/16/206087916.db2.gz GVHWVHMPJBILQV-NSHDSACASA-N 0 3 224.373 3.540 20 30 BHEDHN C=CCCCCCN[C@H](C)c1nc(C)cs1 ZINC000194359056 134149857 /nfs/dbraw/zinc/14/98/57/134149857.db2.gz JFNKFKOUMAOSAP-GFCCVEGCSA-N 0 3 238.400 3.849 20 30 BHEDHN C=CCCCCCN[C@@H](C)c1nc(C)cs1 ZINC000194359068 134149919 /nfs/dbraw/zinc/14/99/19/134149919.db2.gz JFNKFKOUMAOSAP-LBPRGKRZSA-N 0 3 238.400 3.849 20 30 BHEDHN C=CCCCCCN[C@H](C)c1ncc(C)s1 ZINC000194359082 347419227 /nfs/dbraw/zinc/41/92/27/347419227.db2.gz XIMRTKXXPLIZNP-GFCCVEGCSA-N 0 3 238.400 3.849 20 30 BHEDHN C=CCCCCCN[C@@H](C)c1ncc(C)s1 ZINC000194359093 353646533 /nfs/dbraw/zinc/64/65/33/353646533.db2.gz XIMRTKXXPLIZNP-LBPRGKRZSA-N 0 3 238.400 3.849 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccccc1SC ZINC000194966633 206114154 /nfs/dbraw/zinc/11/41/54/206114154.db2.gz WXGWDCWSDGSIQE-NSHDSACASA-N 0 3 221.369 3.635 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccccc1SC ZINC000194966648 206114347 /nfs/dbraw/zinc/11/43/47/206114347.db2.gz WXGWDCWSDGSIQE-LLVKDONJSA-N 0 3 221.369 3.635 20 30 BHEDHN C=CCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991550 388747715 /nfs/dbraw/zinc/74/77/15/388747715.db2.gz ZFMLFPFKBZTKMB-JTQLQIEISA-N 0 3 243.272 3.884 20 30 BHEDHN C=CCN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991561 388748143 /nfs/dbraw/zinc/74/81/43/388748143.db2.gz ZFMLFPFKBZTKMB-SNVBAGLBSA-N 0 3 243.272 3.884 20 30 BHEDHN C=CCN(Cc1cccs1)[C@H](C)CC ZINC000195003851 388692441 /nfs/dbraw/zinc/69/24/41/388692441.db2.gz LJWZYLWFODYORR-LLVKDONJSA-N 0 3 209.358 3.535 20 30 BHEDHN C=CCN(Cc1cccs1)[C@@H](C)CC ZINC000195003867 388693079 /nfs/dbraw/zinc/69/30/79/388693079.db2.gz LJWZYLWFODYORR-NSHDSACASA-N 0 3 209.358 3.535 20 30 BHEDHN C=CCN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000195608071 526677262 /nfs/dbraw/zinc/67/72/62/526677262.db2.gz QCBJEKMYLWWHGO-ZDUSSCGKSA-N 0 3 221.319 3.689 20 30 BHEDHN C=CCN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000195608073 526677736 /nfs/dbraw/zinc/67/77/36/526677736.db2.gz QCBJEKMYLWWHGO-CYBMUJFWSA-N 0 3 221.319 3.689 20 30 BHEDHN C=C(C)CN(CC)Cc1cc(C)sc1C ZINC000195686770 388719764 /nfs/dbraw/zinc/71/97/64/388719764.db2.gz PXLVAMJQSDZVPU-UHFFFAOYSA-N 0 3 223.385 3.763 20 30 BHEDHN C=C(C)CN(CC)[C@@H](C)c1ccccc1F ZINC000195732565 388720940 /nfs/dbraw/zinc/72/09/40/388720940.db2.gz SUWVHBHCSDGCIH-LBPRGKRZSA-N 0 3 221.319 3.785 20 30 BHEDHN C=C(C)CN(CC)[C@H](C)c1ccccc1F ZINC000195732566 388720514 /nfs/dbraw/zinc/72/05/14/388720514.db2.gz SUWVHBHCSDGCIH-GFCCVEGCSA-N 0 3 221.319 3.785 20 30 BHEDHN C=C(C)CN(CC)[C@@H](C)c1ccc(F)c(F)c1 ZINC000195732901 388720235 /nfs/dbraw/zinc/72/02/35/388720235.db2.gz LWALDKYDQBMLLF-NSHDSACASA-N 0 3 239.309 3.924 20 30 BHEDHN C=C(C)CN(CC)[C@H](C)c1ccc(F)c(F)c1 ZINC000195732902 388721086 /nfs/dbraw/zinc/72/10/86/388721086.db2.gz LWALDKYDQBMLLF-LLVKDONJSA-N 0 3 239.309 3.924 20 30 BHEDHN C=C(C)CN(CC)[C@@H](C)c1cccc(F)c1 ZINC000195732953 388721017 /nfs/dbraw/zinc/72/10/17/388721017.db2.gz WGJOVHMPJBGVCT-LBPRGKRZSA-N 0 3 221.319 3.785 20 30 BHEDHN C=C(C)CN(CC)[C@H](C)c1cccc(F)c1 ZINC000195732954 388720656 /nfs/dbraw/zinc/72/06/56/388720656.db2.gz WGJOVHMPJBGVCT-GFCCVEGCSA-N 0 3 221.319 3.785 20 30 BHEDHN C=CCN[C@@H](C)c1csc2ccccc12 ZINC000200957960 589045200 /nfs/dbraw/zinc/04/52/00/589045200.db2.gz QUHWEPUSSDJUFJ-JTQLQIEISA-N 0 3 217.337 3.738 20 30 BHEDHN C=CCN[C@H](C)c1csc2ccccc12 ZINC000200957988 589045427 /nfs/dbraw/zinc/04/54/27/589045427.db2.gz QUHWEPUSSDJUFJ-SNVBAGLBSA-N 0 3 217.337 3.738 20 30 BHEDHN CC(C)(NCC#Cc1ccccc1)c1ccccc1 ZINC000205165166 363082364 /nfs/dbraw/zinc/08/23/64/363082364.db2.gz WCUGZBILXCZDBO-UHFFFAOYSA-N 0 3 249.357 3.563 20 30 BHEDHN C=C(CN[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000211877818 383899660 /nfs/dbraw/zinc/89/96/60/383899660.db2.gz NOGFPSUUYOMGGX-GOSISDBHSA-N 0 3 249.357 3.977 20 30 BHEDHN C=C(CN[C@H]1CCc2ccccc21)c1ccccc1 ZINC000211877898 383900464 /nfs/dbraw/zinc/90/04/64/383900464.db2.gz NOGFPSUUYOMGGX-SFHVURJKSA-N 0 3 249.357 3.977 20 30 BHEDHN C=C(CN[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000211887552 383936139 /nfs/dbraw/zinc/93/61/39/383936139.db2.gz HRJPUDMNTHWEGO-CQSZACIVSA-N 0 3 241.334 3.952 20 30 BHEDHN C=C(CN[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000211887628 383936511 /nfs/dbraw/zinc/93/65/11/383936511.db2.gz HRJPUDMNTHWEGO-AWEZNQCLSA-N 0 3 241.334 3.952 20 30 BHEDHN CCC[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000213415184 388389006 /nfs/dbraw/zinc/38/90/06/388389006.db2.gz DJJSVCPBWZYZKD-MRXNPFEDSA-N 0 3 242.366 3.713 20 30 BHEDHN CCC[C@H]1CCCCN1Cc1ccccc1C#N ZINC000213415237 388389027 /nfs/dbraw/zinc/38/90/27/388389027.db2.gz DJJSVCPBWZYZKD-INIZCTEOSA-N 0 3 242.366 3.713 20 30 BHEDHN C=CCN(CC=C)CC[C@H](C)c1ccccc1 ZINC000217557703 343119953 /nfs/dbraw/zinc/11/99/53/343119953.db2.gz ABIFXNGFMXIYSZ-HNNXBMFYSA-N 0 3 229.367 3.854 20 30 BHEDHN C=CCN(CC=C)CC[C@@H](C)c1ccccc1 ZINC000217557781 343120237 /nfs/dbraw/zinc/12/02/37/343120237.db2.gz ABIFXNGFMXIYSZ-OAHLLOKOSA-N 0 3 229.367 3.854 20 30 BHEDHN C=CCSCCNc1ccnc2ccccc21 ZINC000218872654 134265709 /nfs/dbraw/zinc/26/57/09/134265709.db2.gz YURYVWPMTMUIAE-UHFFFAOYSA-N 0 3 244.363 3.566 20 30 BHEDHN C[C@@H](N(C)Cc1cccc(C#N)c1F)C(C)(C)C ZINC000223519951 356621671 /nfs/dbraw/zinc/62/16/71/356621671.db2.gz SHHMBAVVCRLOKG-LLVKDONJSA-N 0 3 248.345 3.564 20 30 BHEDHN C[C@H](N(C)Cc1cccc(C#N)c1F)C(C)(C)C ZINC000223520008 356621491 /nfs/dbraw/zinc/62/14/91/356621491.db2.gz SHHMBAVVCRLOKG-NSHDSACASA-N 0 3 248.345 3.564 20 30 BHEDHN CC(C)CN(Cc1cccc(C#N)c1F)C(C)C ZINC000223522060 535056330 /nfs/dbraw/zinc/05/63/30/535056330.db2.gz JVWCQNWWJKWRLV-UHFFFAOYSA-N 0 3 248.345 3.564 20 30 BHEDHN CC[C@@H](C)CN(CC)Cc1cccc(C#N)c1F ZINC000223556264 387118731 /nfs/dbraw/zinc/11/87/31/387118731.db2.gz QJUMEVAXHXSCKE-GFCCVEGCSA-N 0 3 248.345 3.565 20 30 BHEDHN CC[C@H](C)CN(CC)Cc1cccc(C#N)c1F ZINC000223556322 387119901 /nfs/dbraw/zinc/11/99/01/387119901.db2.gz QJUMEVAXHXSCKE-LBPRGKRZSA-N 0 3 248.345 3.565 20 30 BHEDHN C#CCCN[C@@H](C)c1cccc(Cl)c1Cl ZINC000223835067 640590991 /nfs/dbraw/zinc/59/09/91/640590991.db2.gz OYMQSRCVZPAMFV-VIFPVBQESA-N 0 3 242.149 3.667 20 30 BHEDHN C#CCCN[C@H](C)c1cccc(Cl)c1Cl ZINC000223835133 640590729 /nfs/dbraw/zinc/59/07/29/640590729.db2.gz OYMQSRCVZPAMFV-SECBINFHSA-N 0 3 242.149 3.667 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](CC)CC1 ZINC000226517489 398273613 /nfs/dbraw/zinc/27/36/13/398273613.db2.gz XTJQRJOCTLMAGV-MGPQQGTHSA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H](CC)CC1 ZINC000226517494 368359986 /nfs/dbraw/zinc/35/99/86/368359986.db2.gz XTJQRJOCTLMAGV-MCIONIFRSA-N 0 3 222.376 3.627 20 30 BHEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000226554986 358340910 /nfs/dbraw/zinc/34/09/10/358340910.db2.gz LQFGXXMQBUQRAA-MGPQQGTHSA-N 0 3 236.403 3.731 20 30 BHEDHN C[C@H](C#N)CN[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000226554995 358341035 /nfs/dbraw/zinc/34/10/35/358341035.db2.gz LQFGXXMQBUQRAA-MCIONIFRSA-N 0 3 236.403 3.731 20 30 BHEDHN CC1(C)CCCC[C@@H]1NCc1ccccc1C#N ZINC000227001267 259623139 /nfs/dbraw/zinc/62/31/39/259623139.db2.gz DJYRUPCZTICYLA-HNNXBMFYSA-N 0 3 242.366 3.617 20 30 BHEDHN CC1(C)CCCC[C@H]1NCc1ccccc1C#N ZINC000227001276 388356571 /nfs/dbraw/zinc/35/65/71/388356571.db2.gz DJYRUPCZTICYLA-OAHLLOKOSA-N 0 3 242.366 3.617 20 30 BHEDHN Cc1ccc([C@@H](C)NCC(C)(C)CCC#N)o1 ZINC000229677681 387193183 /nfs/dbraw/zinc/19/31/83/387193183.db2.gz YKINXLKWRHCGPF-GFCCVEGCSA-N 0 3 234.343 3.569 20 30 BHEDHN Cc1ccc([C@H](C)NCC(C)(C)CCC#N)o1 ZINC000229677691 387191859 /nfs/dbraw/zinc/19/18/59/387191859.db2.gz YKINXLKWRHCGPF-LBPRGKRZSA-N 0 3 234.343 3.569 20 30 BHEDHN C#CCCCCNc1cc(C)nc2ccccc21 ZINC000229738928 384417035 /nfs/dbraw/zinc/41/70/35/384417035.db2.gz KNQMRDJYTCHSSX-UHFFFAOYSA-N 0 3 238.334 3.759 20 30 BHEDHN C#C[C@@H](CC)NCc1ccc(C(C)(C)C)s1 ZINC000229895270 632997908 /nfs/dbraw/zinc/99/79/08/632997908.db2.gz GVVLRQIMTCYYLE-NSHDSACASA-N 0 3 235.396 3.547 20 30 BHEDHN C#C[C@H](CC)NCc1ccc(C(C)(C)C)s1 ZINC000229895275 633000621 /nfs/dbraw/zinc/00/06/21/633000621.db2.gz GVVLRQIMTCYYLE-LLVKDONJSA-N 0 3 235.396 3.547 20 30 BHEDHN CC[C@@H](C)CN(CC)Cc1cc(F)ccc1C#N ZINC000229959924 384338481 /nfs/dbraw/zinc/33/84/81/384338481.db2.gz FLVLMWCMSDRFSH-GFCCVEGCSA-N 0 3 248.345 3.565 20 30 BHEDHN CC[C@H](C)CN(CC)Cc1cc(F)ccc1C#N ZINC000229959931 259644428 /nfs/dbraw/zinc/64/44/28/259644428.db2.gz FLVLMWCMSDRFSH-LBPRGKRZSA-N 0 3 248.345 3.565 20 30 BHEDHN CCCCCCCNCc1ncc(CC)s1 ZINC000230141255 635481515 /nfs/dbraw/zinc/48/15/15/635481515.db2.gz RUIIYSGOLXGVFZ-UHFFFAOYSA-N 0 3 240.416 3.766 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000230410450 363308235 /nfs/dbraw/zinc/30/82/35/363308235.db2.gz RLOHSAIWFPTXTO-SFYZADRCSA-N 0 3 215.749 3.627 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000230410452 363308942 /nfs/dbraw/zinc/30/89/42/363308942.db2.gz RLOHSAIWFPTXTO-YUMQZZPRSA-N 0 3 215.749 3.627 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000230410456 363308391 /nfs/dbraw/zinc/30/83/91/363308391.db2.gz RLOHSAIWFPTXTO-HTQZYQBOSA-N 0 3 215.749 3.627 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000230410459 363308201 /nfs/dbraw/zinc/30/82/01/363308201.db2.gz RLOHSAIWFPTXTO-JGVFFNPUSA-N 0 3 215.749 3.627 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230771479 388830525 /nfs/dbraw/zinc/83/05/25/388830525.db2.gz KUYXMDPWMVCNHL-RRFJBIMHSA-N 0 3 236.403 3.873 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230771483 259324711 /nfs/dbraw/zinc/32/47/11/259324711.db2.gz KUYXMDPWMVCNHL-ZNMIVQPWSA-N 0 3 236.403 3.873 20 30 BHEDHN CC(C)C[C@@H]1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000230775382 386883548 /nfs/dbraw/zinc/88/35/48/386883548.db2.gz GFJYIVLBLZNKFM-UONOGXRCSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)C[C@H]1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000230775385 386884926 /nfs/dbraw/zinc/88/49/26/386884926.db2.gz GFJYIVLBLZNKFM-ZIAGYGMSSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)C[C@@H]1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000230775388 386885122 /nfs/dbraw/zinc/88/51/22/386885122.db2.gz GFJYIVLBLZNKFM-KBPBESRZSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)C[C@H]1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000230775390 386884789 /nfs/dbraw/zinc/88/47/89/386884789.db2.gz GFJYIVLBLZNKFM-KGLIPLIRSA-N 0 3 236.403 3.731 20 30 BHEDHN CCCCCCC[C@@H](C)NCc1ccno1 ZINC000231881348 641212086 /nfs/dbraw/zinc/21/20/86/641212086.db2.gz OPNIPTGFDWBRLU-GFCCVEGCSA-N 0 3 224.348 3.513 20 30 BHEDHN CCCCCCC[C@H](C)NCc1ccno1 ZINC000231881351 641212227 /nfs/dbraw/zinc/21/22/27/641212227.db2.gz OPNIPTGFDWBRLU-LBPRGKRZSA-N 0 3 224.348 3.513 20 30 BHEDHN CC(C)CN(CCC#N)CCCCC(C)(C)C#N ZINC000232581752 641306824 /nfs/dbraw/zinc/30/68/24/641306824.db2.gz RKSQPOYEIBLUMM-UHFFFAOYSA-N 0 3 249.402 3.578 20 30 BHEDHN C=CCCCCCN(CCC#N)CC(C)C ZINC000232583283 711760904 /nfs/dbraw/zinc/76/09/04/711760904.db2.gz OOTQHDNOYBPVQW-UHFFFAOYSA-N 0 3 222.376 3.604 20 30 BHEDHN CC(C)[C@@H](CNCC(C)(C)C#N)c1ccccc1 ZINC000232700181 386820103 /nfs/dbraw/zinc/82/01/03/386820103.db2.gz RRDXSAHLYPEZRL-OAHLLOKOSA-N 0 3 244.382 3.566 20 30 BHEDHN CC(C)[C@H](CNCC(C)(C)C#N)c1ccccc1 ZINC000232741988 386078572 /nfs/dbraw/zinc/07/85/72/386078572.db2.gz RRDXSAHLYPEZRL-HNNXBMFYSA-N 0 3 244.382 3.566 20 30 BHEDHN CCCCCCCNCc1ncc(C)s1 ZINC000232958315 642637735 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ZINC000251309585 384914701 /nfs/dbraw/zinc/91/47/01/384914701.db2.gz IRWMTXRNDCRMOE-KGLIPLIRSA-N 0 3 224.392 3.684 20 30 BHEDHN CCCC[C@@H](CC)CN(CC)C[C@H](C)C#N ZINC000251309589 384914198 /nfs/dbraw/zinc/91/41/98/384914198.db2.gz IRWMTXRNDCRMOE-ZIAGYGMSSA-N 0 3 224.392 3.684 20 30 BHEDHN C[C@H](c1ccc(F)cc1)N1CCC(CC#N)CC1 ZINC000259812346 135144634 /nfs/dbraw/zinc/14/46/34/135144634.db2.gz VPWWURPCWQDIEU-GFCCVEGCSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@@H](c1ccc(F)cc1)N1CCC(CC#N)CC1 ZINC000259812349 135144520 /nfs/dbraw/zinc/14/45/20/135144520.db2.gz VPWWURPCWQDIEU-LBPRGKRZSA-N 0 3 246.329 3.512 20 30 BHEDHN Cc1ccc(CN2CCC(CCC#N)CC2)s1 ZINC000260098791 349639718 /nfs/dbraw/zinc/63/97/18/349639718.db2.gz PVTOSQBOHYTSHC-UHFFFAOYSA-N 0 3 248.395 3.572 20 30 BHEDHN CC(C)N(CCCCC#N)Cc1ccccc1F ZINC000263776765 535052895 /nfs/dbraw/zinc/05/28/95/535052895.db2.gz DVJRMTYKWFMMQD-UHFFFAOYSA-N 0 3 248.345 3.730 20 30 BHEDHN Cc1cc(NCCCCC#N)c2ccccc2n1 ZINC000264254484 135137264 /nfs/dbraw/zinc/13/72/64/135137264.db2.gz YIYXZAIBMVXQRB-UHFFFAOYSA-N 0 3 239.322 3.649 20 30 BHEDHN C[C@H](c1ccc(F)cc1)N(C)CCC(C)(C)C#N ZINC000265977112 135146488 /nfs/dbraw/zinc/14/64/88/135146488.db2.gz DOZICZMCTCFFQY-GFCCVEGCSA-N 0 3 248.345 3.758 20 30 BHEDHN C[C@@H](c1ccc(F)cc1)N(C)CCC(C)(C)C#N ZINC000265977114 135146049 /nfs/dbraw/zinc/14/60/49/135146049.db2.gz DOZICZMCTCFFQY-LBPRGKRZSA-N 0 3 248.345 3.758 20 30 BHEDHN CN(CCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000266009966 536314616 /nfs/dbraw/zinc/31/46/16/536314616.db2.gz NBUOHZLRLJIMOA-HNNXBMFYSA-N 0 3 242.366 3.546 20 30 BHEDHN CN(CCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000266009967 536314645 /nfs/dbraw/zinc/31/46/45/536314645.db2.gz NBUOHZLRLJIMOA-OAHLLOKOSA-N 0 3 242.366 3.546 20 30 BHEDHN C=CCCCN(C)Cc1cnc2ccccc2c1 ZINC000271181666 166233163 /nfs/dbraw/zinc/23/31/63/166233163.db2.gz HSXAQJKKKHHOTC-UHFFFAOYSA-N 0 3 240.350 3.633 20 30 BHEDHN CC(C)(C#N)CCNC1(c2ccccc2)CCC1 ZINC000271953779 351446994 /nfs/dbraw/zinc/44/69/94/351446994.db2.gz BOSISYYMBPWBDJ-UHFFFAOYSA-N 0 3 242.366 3.595 20 30 BHEDHN Cc1cccc(C(C)(C)NCCC(C)(C)C#N)c1 ZINC000271990342 351448706 /nfs/dbraw/zinc/44/87/06/351448706.db2.gz DPWJLKRPULPUSU-UHFFFAOYSA-N 0 3 244.382 3.760 20 30 BHEDHN CC(C)(C#N)CCNC(C)(C)c1cccc(F)c1 ZINC000271998069 351448775 /nfs/dbraw/zinc/44/87/75/351448775.db2.gz GSFDEFHHAKNZSC-UHFFFAOYSA-N 0 3 248.345 3.590 20 30 BHEDHN Cc1cccc([C@H](C)NCCC(C)(C)C#N)c1C ZINC000272002340 351448671 /nfs/dbraw/zinc/44/86/71/351448671.db2.gz HYQHBUSPJLRMLK-AWEZNQCLSA-N 0 3 244.382 3.894 20 30 BHEDHN Cc1cccc([C@@H](C)NCCC(C)(C)C#N)c1C ZINC000272002341 351448736 /nfs/dbraw/zinc/44/87/36/351448736.db2.gz HYQHBUSPJLRMLK-CQSZACIVSA-N 0 3 244.382 3.894 20 30 BHEDHN C[C@H]1CN(CCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000272012617 351450240 /nfs/dbraw/zinc/45/02/40/351450240.db2.gz KVXNZQQVPAQLLY-DZGCQCFKSA-N 0 3 242.366 3.619 20 30 BHEDHN C[C@@H]1CN(CCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000272012618 351450188 /nfs/dbraw/zinc/45/01/88/351450188.db2.gz KVXNZQQVPAQLLY-UKRRQHHQSA-N 0 3 242.366 3.619 20 30 BHEDHN Cc1cc([C@@H](C)NCCC(C)(C)C#N)ccc1F ZINC000272013811 351450179 /nfs/dbraw/zinc/45/01/79/351450179.db2.gz KZNRDKJTBZZLPA-GFCCVEGCSA-N 0 3 248.345 3.725 20 30 BHEDHN Cc1ccc([C@H]2CCCN2CCC(C)(C)C#N)o1 ZINC000272022143 351449923 /nfs/dbraw/zinc/44/99/23/351449923.db2.gz NDIUHHFGTAAUCE-CYBMUJFWSA-N 0 3 246.354 3.665 20 30 BHEDHN Cc1ccc([C@@H]2CCCN2CCC(C)(C)C#N)o1 ZINC000272022145 351449971 /nfs/dbraw/zinc/44/99/71/351449971.db2.gz NDIUHHFGTAAUCE-ZDUSSCGKSA-N 0 3 246.354 3.665 20 30 BHEDHN C[C@@H]1c2ccccc2CCN1CCC(C)(C)C#N ZINC000272051442 351450738 /nfs/dbraw/zinc/45/07/38/351450738.db2.gz ULTVXWCORNIBOL-CYBMUJFWSA-N 0 3 242.366 3.546 20 30 BHEDHN C[C@H]1c2ccccc2CCN1CCC(C)(C)C#N ZINC000272051443 351451322 /nfs/dbraw/zinc/45/13/22/351451322.db2.gz ULTVXWCORNIBOL-ZDUSSCGKSA-N 0 3 242.366 3.546 20 30 BHEDHN Cc1ccccc1[C@H](C)N1CCC(C)(C#N)CC1 ZINC000272501000 351481091 /nfs/dbraw/zinc/48/10/91/351481091.db2.gz DPKTYWVETNRDEH-AWEZNQCLSA-N 0 3 242.366 3.682 20 30 BHEDHN Cc1ccccc1[C@@H](C)N1CCC(C)(C#N)CC1 ZINC000272501002 351481574 /nfs/dbraw/zinc/48/15/74/351481574.db2.gz DPKTYWVETNRDEH-CQSZACIVSA-N 0 3 242.366 3.682 20 30 BHEDHN CCc1ccc([C@H](CC)NCCCC#N)cc1 ZINC000273163539 351512127 /nfs/dbraw/zinc/51/21/27/351512127.db2.gz AJNCIIFGTKTVEK-HNNXBMFYSA-N 0 3 230.355 3.593 20 30 BHEDHN CCc1ccc([C@@H](CC)NCCCC#N)cc1 ZINC000273163542 351512347 /nfs/dbraw/zinc/51/23/47/351512347.db2.gz AJNCIIFGTKTVEK-OAHLLOKOSA-N 0 3 230.355 3.593 20 30 BHEDHN CCCc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000273173979 351511677 /nfs/dbraw/zinc/51/16/77/351511677.db2.gz COEMLTXZAATHSQ-CYBMUJFWSA-N 0 3 230.355 3.593 20 30 BHEDHN CCCc1ccc([C@H](C)NCCCC#N)cc1 ZINC000273173981 351512019 /nfs/dbraw/zinc/51/20/19/351512019.db2.gz COEMLTXZAATHSQ-ZDUSSCGKSA-N 0 3 230.355 3.593 20 30 BHEDHN CC(C)C[C@@H](NCCCC#N)c1cccs1 ZINC000273176605 135365815 /nfs/dbraw/zinc/36/58/15/135365815.db2.gz DCXUUDYFTMDGHC-GFCCVEGCSA-N 0 3 236.384 3.729 20 30 BHEDHN CC(C)C[C@H](NCCCC#N)c1cccs1 ZINC000273176606 135365665 /nfs/dbraw/zinc/36/56/65/135365665.db2.gz DCXUUDYFTMDGHC-LBPRGKRZSA-N 0 3 236.384 3.729 20 30 BHEDHN CC[C@@H](NCCCC#N)c1ccc(Cl)s1 ZINC000273191498 535803578 /nfs/dbraw/zinc/80/35/78/535803578.db2.gz GXERXBIRFKFIPB-SECBINFHSA-N 0 3 242.775 3.746 20 30 BHEDHN CC[C@H](NCCCC#N)c1ccc(Cl)s1 ZINC000273191501 535900196 /nfs/dbraw/zinc/90/01/96/535900196.db2.gz GXERXBIRFKFIPB-VIFPVBQESA-N 0 3 242.775 3.746 20 30 BHEDHN CCCC[C@H](NCCCC#N)c1ccccc1 ZINC000273257417 351514323 /nfs/dbraw/zinc/51/43/23/351514323.db2.gz MBFWUVZEJVPTGQ-HNNXBMFYSA-N 0 3 230.355 3.811 20 30 BHEDHN CCCC[C@@H](NCCCC#N)c1ccccc1 ZINC000273257419 133545092 /nfs/dbraw/zinc/54/50/92/133545092.db2.gz MBFWUVZEJVPTGQ-OAHLLOKOSA-N 0 3 230.355 3.811 20 30 BHEDHN C[C@@H]1CC[C@H](NCCCC#N)c2ccccc21 ZINC000273277039 351515113 /nfs/dbraw/zinc/51/51/13/351515113.db2.gz PNRAZIGNXAIRFB-DOMZBBRYSA-N 0 3 228.339 3.518 20 30 BHEDHN C[C@@H]1CC[C@@H](NCCCC#N)c2ccccc21 ZINC000273277041 351515593 /nfs/dbraw/zinc/51/55/93/351515593.db2.gz PNRAZIGNXAIRFB-IUODEOHRSA-N 0 3 228.339 3.518 20 30 BHEDHN C[C@H]1CC[C@@H](NCCCC#N)c2ccccc21 ZINC000273277043 351515553 /nfs/dbraw/zinc/51/55/53/351515553.db2.gz PNRAZIGNXAIRFB-SWLSCSKDSA-N 0 3 228.339 3.518 20 30 BHEDHN C[C@H]1CC[C@H](NCCCC#N)c2ccccc21 ZINC000273277044 351515106 /nfs/dbraw/zinc/51/51/06/351515106.db2.gz PNRAZIGNXAIRFB-WFASDCNBSA-N 0 3 228.339 3.518 20 30 BHEDHN CCc1cc(NCCCC#N)c2ccccc2n1 ZINC000273278258 351515330 /nfs/dbraw/zinc/51/53/30/351515330.db2.gz CXWUFRNUJJAQQC-UHFFFAOYSA-N 0 3 239.322 3.513 20 30 BHEDHN Cc1cc(C)c([C@H](C)NCCCC#N)cc1C ZINC000273279830 351515798 /nfs/dbraw/zinc/51/57/98/351515798.db2.gz QDAMBUQIMYCHHW-AWEZNQCLSA-N 0 3 230.355 3.566 20 30 BHEDHN Cc1cc(C)c([C@@H](C)NCCCC#N)cc1C ZINC000273279833 351515060 /nfs/dbraw/zinc/51/50/60/351515060.db2.gz QDAMBUQIMYCHHW-CQSZACIVSA-N 0 3 230.355 3.566 20 30 BHEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273351778 323633819 /nfs/dbraw/zinc/63/38/19/323633819.db2.gz BWOVKEWHSPSEIC-AAEUAGOBSA-N 0 3 233.355 3.624 20 30 BHEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273351780 187399890 /nfs/dbraw/zinc/39/98/90/187399890.db2.gz BWOVKEWHSPSEIC-DGCLKSJQSA-N 0 3 233.355 3.624 20 30 BHEDHN C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273351784 387456472 /nfs/dbraw/zinc/45/64/72/387456472.db2.gz BWOVKEWHSPSEIC-WCQYABFASA-N 0 3 233.355 3.624 20 30 BHEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273351787 387456216 /nfs/dbraw/zinc/45/62/16/387456216.db2.gz BWOVKEWHSPSEIC-YPMHNXCESA-N 0 3 233.355 3.624 20 30 BHEDHN N#CCCCN[C@H]1CCCc2c(Cl)cccc21 ZINC000273396659 351527316 /nfs/dbraw/zinc/52/73/16/351527316.db2.gz FMYZYBDPBUAXKF-AWEZNQCLSA-N 0 3 248.757 3.611 20 30 BHEDHN N#CCCCN[C@@H]1CCCc2c(Cl)cccc21 ZINC000273396663 351527046 /nfs/dbraw/zinc/52/70/46/351527046.db2.gz FMYZYBDPBUAXKF-CQSZACIVSA-N 0 3 248.757 3.611 20 30 BHEDHN N#CCCCN1CCCC[C@H]1c1ccccc1 ZINC000273845419 369420163 /nfs/dbraw/zinc/42/01/63/369420163.db2.gz KFVHRCDISKOGDW-HNNXBMFYSA-N 0 3 228.339 3.517 20 30 BHEDHN N#CCCCN1CCCC[C@@H]1c1ccccc1 ZINC000273845426 369420200 /nfs/dbraw/zinc/42/02/00/369420200.db2.gz KFVHRCDISKOGDW-OAHLLOKOSA-N 0 3 228.339 3.517 20 30 BHEDHN C=C1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000274134146 188091375 /nfs/dbraw/zinc/09/13/75/188091375.db2.gz IXYZPCKUMDTJKG-UHFFFAOYSA-N 0 3 237.293 3.776 20 30 BHEDHN Cc1cccc2c1ncc(C)c2NCCCC#N ZINC000274219531 136284870 /nfs/dbraw/zinc/28/48/70/136284870.db2.gz YKFVUWFWCGIUFO-UHFFFAOYSA-N 0 3 239.322 3.567 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000274391389 351568312 /nfs/dbraw/zinc/56/83/12/351568312.db2.gz VTGZXYVHYCFYNN-BZUAXINKSA-N 0 3 242.366 3.605 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000274391390 351568283 /nfs/dbraw/zinc/56/82/83/351568283.db2.gz VTGZXYVHYCFYNN-OAGGEKHMSA-N 0 3 242.366 3.605 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000274392343 351568154 /nfs/dbraw/zinc/56/81/54/351568154.db2.gz VTGZXYVHYCFYNN-OWCLPIDISA-N 0 3 242.366 3.605 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000274392345 351568352 /nfs/dbraw/zinc/56/83/52/351568352.db2.gz VTGZXYVHYCFYNN-PMPSAXMXSA-N 0 3 242.366 3.605 20 30 BHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000274392644 351568301 /nfs/dbraw/zinc/56/83/01/351568301.db2.gz BJYBFQXBLPPUQZ-COPLHBTASA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000274392646 351568342 /nfs/dbraw/zinc/56/83/42/351568342.db2.gz BJYBFQXBLPPUQZ-MISXGVKJSA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000274392648 351568360 /nfs/dbraw/zinc/56/83/60/351568360.db2.gz BJYBFQXBLPPUQZ-MJVIPROJSA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000274392649 351568256 /nfs/dbraw/zinc/56/82/56/351568256.db2.gz BJYBFQXBLPPUQZ-WDMOLILDSA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000274393926 351568387 /nfs/dbraw/zinc/56/83/87/351568387.db2.gz BXPFCRJRTNJABF-QJPTWQEYSA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000274393928 351568190 /nfs/dbraw/zinc/56/81/90/351568190.db2.gz BXPFCRJRTNJABF-SDDRHHMPSA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000274394878 351568534 /nfs/dbraw/zinc/56/85/34/351568534.db2.gz BXPFCRJRTNJABF-SRVKXCTJSA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000274394880 351568350 /nfs/dbraw/zinc/56/83/50/351568350.db2.gz BXPFCRJRTNJABF-TUAOUCFPSA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000274547660 351571410 /nfs/dbraw/zinc/57/14/10/351571410.db2.gz VSBRGSYOUDXVEW-COPLHBTASA-N 0 3 248.757 3.683 20 30 BHEDHN CCc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000274574399 386120197 /nfs/dbraw/zinc/12/01/97/386120197.db2.gz BHUGOTIGLGWJCK-DUVNUKRYSA-N 0 3 242.366 3.592 20 30 BHEDHN Cc1cccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1C ZINC000274594144 136285306 /nfs/dbraw/zinc/28/53/06/136285306.db2.gz GARRVQQRUQPECS-KKUMJFAQSA-N 0 3 242.366 3.646 20 30 BHEDHN Cc1cccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1C ZINC000274594147 136285293 /nfs/dbraw/zinc/28/52/93/136285293.db2.gz GARRVQQRUQPECS-RRFJBIMHSA-N 0 3 242.366 3.646 20 30 BHEDHN Cc1cccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1C ZINC000274595331 136285308 /nfs/dbraw/zinc/28/53/08/136285308.db2.gz GARRVQQRUQPECS-SOUVJXGZSA-N 0 3 242.366 3.646 20 30 BHEDHN Cc1cccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1C ZINC000274595333 136285255 /nfs/dbraw/zinc/28/52/55/136285255.db2.gz GARRVQQRUQPECS-ZNMIVQPWSA-N 0 3 242.366 3.646 20 30 BHEDHN Cc1cc(C)cc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1 ZINC000274613501 133548306 /nfs/dbraw/zinc/54/83/06/133548306.db2.gz KSNUMAYDEFRHEJ-DZKIICNBSA-N 0 3 242.366 3.646 20 30 BHEDHN Cc1cc(C)cc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000274613504 351574204 /nfs/dbraw/zinc/57/42/04/351574204.db2.gz KSNUMAYDEFRHEJ-LZWOXQAQSA-N 0 3 242.366 3.646 20 30 BHEDHN Cc1cc(C)cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000274613508 351574023 /nfs/dbraw/zinc/57/40/23/351574023.db2.gz KSNUMAYDEFRHEJ-OFQRWUPVSA-N 0 3 242.366 3.646 20 30 BHEDHN Cc1cc(C)cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000274613511 351573889 /nfs/dbraw/zinc/57/38/89/351573889.db2.gz KSNUMAYDEFRHEJ-SQWLQELKSA-N 0 3 242.366 3.646 20 30 BHEDHN Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000274616051 133548355 /nfs/dbraw/zinc/54/83/55/133548355.db2.gz LEUGCIQZFYHLKX-SOUVJXGZSA-N 0 3 242.366 3.646 20 30 BHEDHN C=CCCCCN[C@H](C)c1cccnc1Cl ZINC000274625944 188265161 /nfs/dbraw/zinc/26/51/61/188265161.db2.gz YBBQGOIQRDBQOT-LLVKDONJSA-N 0 3 238.762 3.742 20 30 BHEDHN C=CCCCCN[C@@H](C)c1cccnc1Cl ZINC000274625945 389047897 /nfs/dbraw/zinc/04/78/97/389047897.db2.gz YBBQGOIQRDBQOT-NSHDSACASA-N 0 3 238.762 3.742 20 30 BHEDHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c(C)s1 ZINC000274655068 351575867 /nfs/dbraw/zinc/57/58/67/351575867.db2.gz UFGCPSZLDUIPKK-CYZMBNFOSA-N 0 3 248.395 3.708 20 30 BHEDHN Cc1cc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c(C)s1 ZINC000274655071 351575880 /nfs/dbraw/zinc/57/58/80/351575880.db2.gz UFGCPSZLDUIPKK-DRZSPHRISA-N 0 3 248.395 3.708 20 30 BHEDHN Cc1cc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c(C)s1 ZINC000274655073 351575738 /nfs/dbraw/zinc/57/57/38/351575738.db2.gz UFGCPSZLDUIPKK-UHTWSYAYSA-N 0 3 248.395 3.708 20 30 BHEDHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)s1 ZINC000274655075 351575692 /nfs/dbraw/zinc/57/56/92/351575692.db2.gz UFGCPSZLDUIPKK-WCFLWFBJSA-N 0 3 248.395 3.708 20 30 BHEDHN Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000274656335 351575920 /nfs/dbraw/zinc/57/59/20/351575920.db2.gz UMAAUMOYRRDROD-OFQRWUPVSA-N 0 3 242.366 3.646 20 30 BHEDHN C=C(C)CCN(C)[C@H](C)c1sc(C)nc1C ZINC000274765510 188092661 /nfs/dbraw/zinc/09/26/61/188092661.db2.gz FVDKFFCLPCZIFD-LLVKDONJSA-N 0 3 238.400 3.719 20 30 BHEDHN C=C(C)CCN(C)[C@@H](C)c1sc(C)nc1C ZINC000274765511 387491539 /nfs/dbraw/zinc/49/15/39/387491539.db2.gz FVDKFFCLPCZIFD-NSHDSACASA-N 0 3 238.400 3.719 20 30 BHEDHN C=C(C)CCN1CCC[C@H]1c1ccc(COC)o1 ZINC000274791503 387492941 /nfs/dbraw/zinc/49/29/41/387492941.db2.gz BZKRSWSSIJGXOV-AWEZNQCLSA-N 0 3 249.354 3.529 20 30 BHEDHN C=C(C)CCN1CCC[C@@H]1c1ccc(COC)o1 ZINC000274791506 188264444 /nfs/dbraw/zinc/26/44/44/188264444.db2.gz BZKRSWSSIJGXOV-CQSZACIVSA-N 0 3 249.354 3.529 20 30 BHEDHN C=CCCCCN[C@H](C)c1ccc(Cl)cn1 ZINC000274805999 188264829 /nfs/dbraw/zinc/26/48/29/188264829.db2.gz WRMBKQOEMKKZPC-LLVKDONJSA-N 0 3 238.762 3.742 20 30 BHEDHN C=CCCCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000274806002 188446638 /nfs/dbraw/zinc/44/66/38/188446638.db2.gz WRMBKQOEMKKZPC-NSHDSACASA-N 0 3 238.762 3.742 20 30 BHEDHN C=C(C)CCN[C@](C)(CC)c1nc(C)cs1 ZINC000274820563 389049448 /nfs/dbraw/zinc/04/94/48/389049448.db2.gz YAEFWEPKMLWZEH-CYBMUJFWSA-N 0 3 238.400 3.633 20 30 BHEDHN C=C(C)CCN[C@@](C)(CC)c1nc(C)cs1 ZINC000274820564 188093713 /nfs/dbraw/zinc/09/37/13/188093713.db2.gz YAEFWEPKMLWZEH-ZDUSSCGKSA-N 0 3 238.400 3.633 20 30 BHEDHN C=C(C)CCN1CCC[C@@H]1c1csc(C)n1 ZINC000275050448 188266049 /nfs/dbraw/zinc/26/60/49/188266049.db2.gz KTLPXKAAMWTEDN-CYBMUJFWSA-N 0 3 236.384 3.555 20 30 BHEDHN C=C(C)CCN1CCC[C@H]1c1csc(C)n1 ZINC000275050449 387500550 /nfs/dbraw/zinc/50/05/50/387500550.db2.gz KTLPXKAAMWTEDN-ZDUSSCGKSA-N 0 3 236.384 3.555 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000276140298 351611380 /nfs/dbraw/zinc/61/13/80/351611380.db2.gz CXXITYDTHBIHDD-ARFHVFGLSA-N 0 3 242.366 3.605 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000276140304 351611085 /nfs/dbraw/zinc/61/10/85/351611085.db2.gz CXXITYDTHBIHDD-BZUAXINKSA-N 0 3 242.366 3.605 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000276140309 351610960 /nfs/dbraw/zinc/61/09/60/351610960.db2.gz CXXITYDTHBIHDD-OAGGEKHMSA-N 0 3 242.366 3.605 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](c2ccccc2)C1 ZINC000276140315 351611668 /nfs/dbraw/zinc/61/16/68/351611668.db2.gz CXXITYDTHBIHDD-XHSDSOJGSA-N 0 3 242.366 3.605 20 30 BHEDHN Cc1cccc([C@@H](C)N[C@@H](C)CCC#N)c1C ZINC000276256413 351612240 /nfs/dbraw/zinc/61/22/40/351612240.db2.gz AILTWGPGKTZOCL-GXTWGEPZSA-N 0 3 230.355 3.646 20 30 BHEDHN Cc1cccc([C@H](C)N[C@@H](C)CCC#N)c1C ZINC000276256414 351613668 /nfs/dbraw/zinc/61/36/68/351613668.db2.gz AILTWGPGKTZOCL-JSGCOSHPSA-N 0 3 230.355 3.646 20 30 BHEDHN Cc1cccc([C@H](C)N[C@H](C)CCC#N)c1C ZINC000276256415 351614008 /nfs/dbraw/zinc/61/40/08/351614008.db2.gz AILTWGPGKTZOCL-OCCSQVGLSA-N 0 3 230.355 3.646 20 30 BHEDHN Cc1cccc([C@@H](C)N[C@H](C)CCC#N)c1C ZINC000276256416 351613362 /nfs/dbraw/zinc/61/33/62/351613362.db2.gz AILTWGPGKTZOCL-TZMCWYRMSA-N 0 3 230.355 3.646 20 30 BHEDHN C[C@H](CCC#N)N[C@H](C)c1ccccc1Cl ZINC000276322502 135367334 /nfs/dbraw/zinc/36/73/34/135367334.db2.gz OZKPZOKSLCZNMK-GHMZBOCLSA-N 0 3 236.746 3.683 20 30 BHEDHN C[C@H](CCC#N)N[C@@H](C)c1ccccc1Cl ZINC000276322503 135366907 /nfs/dbraw/zinc/36/69/07/135366907.db2.gz OZKPZOKSLCZNMK-MNOVXSKESA-N 0 3 236.746 3.683 20 30 BHEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccccc1Cl ZINC000276322504 135367554 /nfs/dbraw/zinc/36/75/54/135367554.db2.gz OZKPZOKSLCZNMK-QWRGUYRKSA-N 0 3 236.746 3.683 20 30 BHEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccccc1Cl ZINC000276322505 135367395 /nfs/dbraw/zinc/36/73/95/135367395.db2.gz OZKPZOKSLCZNMK-WDEREUQCSA-N 0 3 236.746 3.683 20 30 BHEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(Cl)cc1 ZINC000276327348 135367287 /nfs/dbraw/zinc/36/72/87/135367287.db2.gz QESCGKDWGKCFIH-GHMZBOCLSA-N 0 3 236.746 3.683 20 30 BHEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(Cl)cc1 ZINC000276327353 135367098 /nfs/dbraw/zinc/36/70/98/135367098.db2.gz QESCGKDWGKCFIH-MNOVXSKESA-N 0 3 236.746 3.683 20 30 BHEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(Cl)cc1 ZINC000276327357 343556555 /nfs/dbraw/zinc/55/65/55/343556555.db2.gz QESCGKDWGKCFIH-QWRGUYRKSA-N 0 3 236.746 3.683 20 30 BHEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(Cl)cc1 ZINC000276327366 135366975 /nfs/dbraw/zinc/36/69/75/135366975.db2.gz QESCGKDWGKCFIH-WDEREUQCSA-N 0 3 236.746 3.683 20 30 BHEDHN C[C@H](CCC#N)N1CCC[C@H]1c1cccs1 ZINC000276351358 386307666 /nfs/dbraw/zinc/30/76/66/386307666.db2.gz WNDBXZIEYGJGKM-NEPJUHHUSA-N 0 3 234.368 3.577 20 30 BHEDHN C[C@@H](CCC#N)N1CCC[C@@H]1c1cccs1 ZINC000276351362 386307005 /nfs/dbraw/zinc/30/70/05/386307005.db2.gz WNDBXZIEYGJGKM-NWDGAFQWSA-N 0 3 234.368 3.577 20 30 BHEDHN C[C@@H](CCC#N)N1CCC[C@H]1c1cccs1 ZINC000276351366 386308606 /nfs/dbraw/zinc/30/86/06/386308606.db2.gz WNDBXZIEYGJGKM-RYUDHWBXSA-N 0 3 234.368 3.577 20 30 BHEDHN C[C@H](CCC#N)N1CCC[C@@H]1c1cccs1 ZINC000276351373 386307869 /nfs/dbraw/zinc/30/78/69/386307869.db2.gz WNDBXZIEYGJGKM-VXGBXAGGSA-N 0 3 234.368 3.577 20 30 BHEDHN C=CCC[C@H](NC[C@@H](C)SC)c1ccco1 ZINC000276383783 166301346 /nfs/dbraw/zinc/30/13/46/166301346.db2.gz ABFOVYIAODQNTE-NEPJUHHUSA-N 0 3 239.384 3.628 20 30 BHEDHN C=CCC[C@@H](NC[C@H](C)SC)c1ccco1 ZINC000276383786 166295523 /nfs/dbraw/zinc/29/55/23/166295523.db2.gz ABFOVYIAODQNTE-NWDGAFQWSA-N 0 3 239.384 3.628 20 30 BHEDHN C=CCC[C@H](NC[C@H](C)SC)c1ccco1 ZINC000276383788 166301638 /nfs/dbraw/zinc/30/16/38/166301638.db2.gz ABFOVYIAODQNTE-RYUDHWBXSA-N 0 3 239.384 3.628 20 30 BHEDHN C=CCC[C@@H](NC[C@@H](C)SC)c1ccco1 ZINC000276383790 166295202 /nfs/dbraw/zinc/29/52/02/166295202.db2.gz ABFOVYIAODQNTE-VXGBXAGGSA-N 0 3 239.384 3.628 20 30 BHEDHN C[C@H](CCC#N)N[C@@H](C)c1cc2ccccc2o1 ZINC000276632510 351639784 /nfs/dbraw/zinc/63/97/84/351639784.db2.gz WIRLIPZVOQIEBW-NEPJUHHUSA-N 0 3 242.322 3.776 20 30 BHEDHN C[C@@H](N[C@@H](C)CCC#N)c1cc2ccccc2o1 ZINC000276632513 351639674 /nfs/dbraw/zinc/63/96/74/351639674.db2.gz WIRLIPZVOQIEBW-NWDGAFQWSA-N 0 3 242.322 3.776 20 30 BHEDHN C[C@@H](CCC#N)N[C@@H](C)c1cc2ccccc2o1 ZINC000276632516 351639389 /nfs/dbraw/zinc/63/93/89/351639389.db2.gz WIRLIPZVOQIEBW-RYUDHWBXSA-N 0 3 242.322 3.776 20 30 BHEDHN C[C@H](CCC#N)N[C@H](C)c1cc2ccccc2o1 ZINC000276632518 351639404 /nfs/dbraw/zinc/63/94/04/351639404.db2.gz WIRLIPZVOQIEBW-VXGBXAGGSA-N 0 3 242.322 3.776 20 30 BHEDHN C[C@H](c1ccco1)N(C)CCCCC(C)(C)C#N ZINC000277653688 177047677 /nfs/dbraw/zinc/04/76/77/177047677.db2.gz IMBWVFJXOBXDHT-CYBMUJFWSA-N 0 3 248.370 3.992 20 30 BHEDHN C[C@@H](c1ccco1)N(C)CCCCC(C)(C)C#N ZINC000277653689 176031476 /nfs/dbraw/zinc/03/14/76/176031476.db2.gz IMBWVFJXOBXDHT-ZDUSSCGKSA-N 0 3 248.370 3.992 20 30 BHEDHN CC[C@H](NCC=C(C)C)c1ccc(C#N)cc1 ZINC000278611038 388754854 /nfs/dbraw/zinc/75/48/54/388754854.db2.gz FRAZYHDHEAUHCB-HNNXBMFYSA-N 0 3 228.339 3.565 20 30 BHEDHN CC[C@@H](NCC=C(C)C)c1ccc(C#N)cc1 ZINC000278611040 388754255 /nfs/dbraw/zinc/75/42/55/388754255.db2.gz FRAZYHDHEAUHCB-OAHLLOKOSA-N 0 3 228.339 3.565 20 30 BHEDHN CC(C)[C@H]1C[C@H](NCCCC#N)c2ccccc21 ZINC000278888325 351789211 /nfs/dbraw/zinc/78/92/11/351789211.db2.gz YKWKNKIMXNKOJJ-CVEARBPZSA-N 0 3 242.366 3.764 20 30 BHEDHN CC(C)[C@@H]1C[C@H](NCCCC#N)c2ccccc21 ZINC000278888331 351789420 /nfs/dbraw/zinc/78/94/20/351789420.db2.gz YKWKNKIMXNKOJJ-HOTGVXAUSA-N 0 3 242.366 3.764 20 30 BHEDHN CC(C)[C@H]1C[C@@H](NCCCC#N)c2ccccc21 ZINC000278888337 535249357 /nfs/dbraw/zinc/24/93/57/535249357.db2.gz YKWKNKIMXNKOJJ-HZPDHXFCSA-N 0 3 242.366 3.764 20 30 BHEDHN CC(C)[C@@H]1C[C@@H](NCCCC#N)c2ccccc21 ZINC000278888343 133553724 /nfs/dbraw/zinc/55/37/24/133553724.db2.gz YKWKNKIMXNKOJJ-JKSUJKDBSA-N 0 3 242.366 3.764 20 30 BHEDHN C#CCCCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280086882 386332838 /nfs/dbraw/zinc/33/28/38/386332838.db2.gz MCCZLIPAPYGFPO-HNNXBMFYSA-N 0 3 245.366 3.545 20 30 BHEDHN C#CCCCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280086884 386333666 /nfs/dbraw/zinc/33/36/66/386333666.db2.gz MCCZLIPAPYGFPO-OAHLLOKOSA-N 0 3 245.366 3.545 20 30 BHEDHN CSc1ccccc1CN(C)CCCCC#N ZINC000280511916 351848048 /nfs/dbraw/zinc/84/80/48/351848048.db2.gz RJVLNPHCFPSXHK-UHFFFAOYSA-N 0 3 248.395 3.534 20 30 BHEDHN C=CC[C@H](CC)N[C@H](C)c1ccc(C)o1 ZINC000281571601 346362322 /nfs/dbraw/zinc/36/23/22/346362322.db2.gz KMLQKXQTUCUXJS-NEPJUHHUSA-N 0 3 207.317 3.593 20 30 BHEDHN C=CC[C@@H](CC)N[C@@H](C)c1ccc(C)o1 ZINC000281571605 346362653 /nfs/dbraw/zinc/36/26/53/346362653.db2.gz KMLQKXQTUCUXJS-NWDGAFQWSA-N 0 3 207.317 3.593 20 30 BHEDHN C=CC[C@H](CC)N[C@@H](C)c1ccc(C)o1 ZINC000281571609 346362694 /nfs/dbraw/zinc/36/26/94/346362694.db2.gz KMLQKXQTUCUXJS-RYUDHWBXSA-N 0 3 207.317 3.593 20 30 BHEDHN C=CC[C@@H](CC)N[C@H](C)c1ccc(C)o1 ZINC000281571615 346362307 /nfs/dbraw/zinc/36/23/07/346362307.db2.gz KMLQKXQTUCUXJS-VXGBXAGGSA-N 0 3 207.317 3.593 20 30 BHEDHN C=CC[C@@H](CC)N[C@H](C)c1cccnc1Cl ZINC000281585608 135370640 /nfs/dbraw/zinc/37/06/40/135370640.db2.gz LINNLNWMGTVITB-GHMZBOCLSA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@H](CC)N[C@H](C)c1cccnc1Cl ZINC000281585610 534380125 /nfs/dbraw/zinc/38/01/25/534380125.db2.gz LINNLNWMGTVITB-MNOVXSKESA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@H](CC)N[C@@H](C)c1cccnc1Cl ZINC000281585612 534380847 /nfs/dbraw/zinc/38/08/47/534380847.db2.gz LINNLNWMGTVITB-QWRGUYRKSA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@@H](CC)N[C@@H](C)c1cccnc1Cl ZINC000281585615 135371024 /nfs/dbraw/zinc/37/10/24/135371024.db2.gz LINNLNWMGTVITB-WDEREUQCSA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@@H](CC)N[C@@H](C)c1ccc(Cl)cn1 ZINC000281614402 385441255 /nfs/dbraw/zinc/44/12/55/385441255.db2.gz NFXAPXWCVNZWHS-CMPLNLGQSA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@H](CC)N[C@@H](C)c1ccc(Cl)cn1 ZINC000281614405 385441495 /nfs/dbraw/zinc/44/14/95/385441495.db2.gz NFXAPXWCVNZWHS-JQWIXIFHSA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@H](CC)N[C@H](C)c1ccc(Cl)cn1 ZINC000281614409 323065065 /nfs/dbraw/zinc/06/50/65/323065065.db2.gz NFXAPXWCVNZWHS-PWSUYJOCSA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@@H](CC)N[C@H](C)c1ccc(Cl)cn1 ZINC000281614412 385442023 /nfs/dbraw/zinc/44/20/23/385442023.db2.gz NFXAPXWCVNZWHS-ZYHUDNBSSA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@@H](C)N[C@H](C)c1cc(C)c(C)o1 ZINC000282251615 346389654 /nfs/dbraw/zinc/38/96/54/346389654.db2.gz QLXQJLGHBRPHRA-GHMZBOCLSA-N 0 3 207.317 3.512 20 30 BHEDHN C=CC[C@@H](C)N[C@@H](C)c1cc(C)c(C)o1 ZINC000282251618 346389805 /nfs/dbraw/zinc/38/98/05/346389805.db2.gz QLXQJLGHBRPHRA-MNOVXSKESA-N 0 3 207.317 3.512 20 30 BHEDHN C=CC[C@H](C)N[C@@H](C)c1cc(C)c(C)o1 ZINC000282251621 346389619 /nfs/dbraw/zinc/38/96/19/346389619.db2.gz QLXQJLGHBRPHRA-QWRGUYRKSA-N 0 3 207.317 3.512 20 30 BHEDHN C=CC[C@H](C)N[C@H](C)c1cc(C)c(C)o1 ZINC000282251626 346389487 /nfs/dbraw/zinc/38/94/87/346389487.db2.gz QLXQJLGHBRPHRA-WDEREUQCSA-N 0 3 207.317 3.512 20 30 BHEDHN CC1(C)CC[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000284479910 351997681 /nfs/dbraw/zinc/99/76/81/351997681.db2.gz USZFXXDOUVIHPR-CABCVRRESA-N 0 3 242.366 3.810 20 30 BHEDHN CC1(C)CC[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000284479914 351997984 /nfs/dbraw/zinc/99/79/84/351997984.db2.gz USZFXXDOUVIHPR-GJZGRUSLSA-N 0 3 242.366 3.810 20 30 BHEDHN CC1(C)CC[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000284479916 351998058 /nfs/dbraw/zinc/99/80/58/351998058.db2.gz USZFXXDOUVIHPR-HUUCEWRRSA-N 0 3 242.366 3.810 20 30 BHEDHN CC1(C)CC[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000284479919 351998266 /nfs/dbraw/zinc/99/82/66/351998266.db2.gz USZFXXDOUVIHPR-LSDHHAIUSA-N 0 3 242.366 3.810 20 30 BHEDHN C=CC[C@H](C)N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000285930294 353548844 /nfs/dbraw/zinc/54/88/44/353548844.db2.gz CVOXUOUSTCCJCE-GXTWGEPZSA-N 0 3 247.386 3.585 20 30 BHEDHN C=CC[C@H](C)N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000285930297 353548994 /nfs/dbraw/zinc/54/89/94/353548994.db2.gz CVOXUOUSTCCJCE-JSGCOSHPSA-N 0 3 247.386 3.585 20 30 BHEDHN C=CC[C@@H](C)N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000285930300 353549465 /nfs/dbraw/zinc/54/94/65/353549465.db2.gz CVOXUOUSTCCJCE-OCCSQVGLSA-N 0 3 247.386 3.585 20 30 BHEDHN C=CC[C@@H](C)N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000285930303 353548721 /nfs/dbraw/zinc/54/87/21/353548721.db2.gz CVOXUOUSTCCJCE-TZMCWYRMSA-N 0 3 247.386 3.585 20 30 BHEDHN C=CCC[C@H](N[C@H](C)CSC)c1ccco1 ZINC000285947816 359336183 /nfs/dbraw/zinc/33/61/83/359336183.db2.gz GAGBKSVLPYYEEZ-NEPJUHHUSA-N 0 3 239.384 3.628 20 30 BHEDHN C=CCC[C@@H](N[C@@H](C)CSC)c1ccco1 ZINC000285947817 359336228 /nfs/dbraw/zinc/33/62/28/359336228.db2.gz GAGBKSVLPYYEEZ-NWDGAFQWSA-N 0 3 239.384 3.628 20 30 BHEDHN C=CCC[C@H](N[C@@H](C)CSC)c1ccco1 ZINC000285947820 135568701 /nfs/dbraw/zinc/56/87/01/135568701.db2.gz GAGBKSVLPYYEEZ-RYUDHWBXSA-N 0 3 239.384 3.628 20 30 BHEDHN C=CCC[C@@H](N[C@H](C)CSC)c1ccco1 ZINC000285947823 359336010 /nfs/dbraw/zinc/33/60/10/359336010.db2.gz GAGBKSVLPYYEEZ-VXGBXAGGSA-N 0 3 239.384 3.628 20 30 BHEDHN C=CCC[C@@H](NCCCSC)c1ccco1 ZINC000286128880 534796036 /nfs/dbraw/zinc/79/60/36/534796036.db2.gz OLKWAKKCKVNPLW-GFCCVEGCSA-N 0 3 239.384 3.630 20 30 BHEDHN C=CCC[C@H](NCCCSC)c1ccco1 ZINC000286128885 135372828 /nfs/dbraw/zinc/37/28/28/135372828.db2.gz OLKWAKKCKVNPLW-LBPRGKRZSA-N 0 3 239.384 3.630 20 30 BHEDHN CC(C)CC[C@H](NCCCC#N)c1ccoc1 ZINC000286311812 352084112 /nfs/dbraw/zinc/08/41/12/352084112.db2.gz XNQTUDIXTNUMER-AWEZNQCLSA-N 0 3 234.343 3.650 20 30 BHEDHN CC(C)CC[C@@H](NCCCC#N)c1ccoc1 ZINC000286311815 352084139 /nfs/dbraw/zinc/08/41/39/352084139.db2.gz XNQTUDIXTNUMER-CQSZACIVSA-N 0 3 234.343 3.650 20 30 BHEDHN C=CCCCCCCN[C@H](C)c1cscn1 ZINC000286912859 534673508 /nfs/dbraw/zinc/67/35/08/534673508.db2.gz FCONSIKWORYGIT-GFCCVEGCSA-N 0 3 238.400 3.930 20 30 BHEDHN C=CCCCCCCN[C@@H](C)c1cscn1 ZINC000286912864 534672614 /nfs/dbraw/zinc/67/26/14/534672614.db2.gz FCONSIKWORYGIT-LBPRGKRZSA-N 0 3 238.400 3.930 20 30 BHEDHN CC1(C)CN(CCCCC#N)[C@@H]1c1cccs1 ZINC000286969493 352109467 /nfs/dbraw/zinc/10/94/67/352109467.db2.gz NWUZFSXRRFHHMF-CYBMUJFWSA-N 0 3 248.395 3.825 20 30 BHEDHN CC1(C)CN(CCCCC#N)[C@H]1c1cccs1 ZINC000286969499 352109579 /nfs/dbraw/zinc/10/95/79/352109579.db2.gz NWUZFSXRRFHHMF-ZDUSSCGKSA-N 0 3 248.395 3.825 20 30 BHEDHN C=CCCCCCCN[C@H](C)c1nccs1 ZINC000287102563 359455276 /nfs/dbraw/zinc/45/52/76/359455276.db2.gz QDDWUMXULDACFS-GFCCVEGCSA-N 0 3 238.400 3.930 20 30 BHEDHN C=CCCCCCCN[C@@H](C)c1nccs1 ZINC000287102567 359455673 /nfs/dbraw/zinc/45/56/73/359455673.db2.gz QDDWUMXULDACFS-LBPRGKRZSA-N 0 3 238.400 3.930 20 30 BHEDHN C=CCCCCCCN[C@H](C)c1nccnc1C ZINC000287208003 359486509 /nfs/dbraw/zinc/48/65/09/359486509.db2.gz WTCCJXMEDYIRIC-CYBMUJFWSA-N 0 3 247.386 3.572 20 30 BHEDHN C=CCCCCCCN[C@@H](C)c1nccnc1C ZINC000287208007 359486678 /nfs/dbraw/zinc/48/66/78/359486678.db2.gz WTCCJXMEDYIRIC-ZDUSSCGKSA-N 0 3 247.386 3.572 20 30 BHEDHN C=CCCCCCCN[C@H](C)c1cncs1 ZINC000287245720 359486002 /nfs/dbraw/zinc/48/60/02/359486002.db2.gz ZDKHFWMANDQZJO-GFCCVEGCSA-N 0 3 238.400 3.930 20 30 BHEDHN C=CCCCCCCN[C@@H](C)c1cncs1 ZINC000287245722 359485636 /nfs/dbraw/zinc/48/56/36/359485636.db2.gz ZDKHFWMANDQZJO-LBPRGKRZSA-N 0 3 238.400 3.930 20 30 BHEDHN C=CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000287610270 353580480 /nfs/dbraw/zinc/58/04/80/353580480.db2.gz SKLLDNCTPDPCJJ-AWEZNQCLSA-N 0 3 247.386 3.587 20 30 BHEDHN C=CCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000287610271 353580080 /nfs/dbraw/zinc/58/00/80/353580080.db2.gz SKLLDNCTPDPCJJ-CQSZACIVSA-N 0 3 247.386 3.587 20 30 BHEDHN Cc1ccoc1CN(C)CCCCC(C)(C)C#N ZINC000292056896 359313938 /nfs/dbraw/zinc/31/39/38/359313938.db2.gz BHCXZJWVHDEPQA-UHFFFAOYSA-N 0 3 248.370 3.740 20 30 BHEDHN CC(C)(C#N)CCNC(C)(C)c1ccccc1F ZINC000292181460 352306314 /nfs/dbraw/zinc/30/63/14/352306314.db2.gz QNVULTKRYSESMZ-UHFFFAOYSA-N 0 3 248.345 3.590 20 30 BHEDHN Cc1ccccc1C(C)(C)NCCC(C)(C)C#N ZINC000292898810 136289241 /nfs/dbraw/zinc/28/92/41/136289241.db2.gz DMSJSWLYHNNWTA-UHFFFAOYSA-N 0 3 244.382 3.760 20 30 BHEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H]2c2ccsc2)C1 ZINC000293489310 135180434 /nfs/dbraw/zinc/18/04/34/135180434.db2.gz MXOJACIHZAGJLO-BNOWGMLFSA-N 0 3 246.379 3.577 20 30 BHEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H]2c2ccsc2)C1 ZINC000293489312 135179707 /nfs/dbraw/zinc/17/97/07/135179707.db2.gz MXOJACIHZAGJLO-KWCYVHTRSA-N 0 3 246.379 3.577 20 30 BHEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H]2c2ccsc2)C1 ZINC000293489315 135180287 /nfs/dbraw/zinc/18/02/87/135180287.db2.gz MXOJACIHZAGJLO-MRVWCRGKSA-N 0 3 246.379 3.577 20 30 BHEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H]2c2ccsc2)C1 ZINC000293489319 135180531 /nfs/dbraw/zinc/18/05/31/135180531.db2.gz MXOJACIHZAGJLO-XBFCOCLRSA-N 0 3 246.379 3.577 20 30 BHEDHN C=CCC(C)(C)CN[C@@H](C)c1csc(C)n1 ZINC000293719183 364775335 /nfs/dbraw/zinc/77/53/35/364775335.db2.gz NKGDDHMHKGMFSH-JTQLQIEISA-N 0 3 238.400 3.704 20 30 BHEDHN C=CCC(C)(C)CN[C@H](C)c1csc(C)n1 ZINC000293719187 364774962 /nfs/dbraw/zinc/77/49/62/364774962.db2.gz NKGDDHMHKGMFSH-SNVBAGLBSA-N 0 3 238.400 3.704 20 30 BHEDHN C=CCC(C)(C)CN[C@H](C)c1ccco1 ZINC000293876226 364776186 /nfs/dbraw/zinc/77/61/86/364776186.db2.gz ZYXWWFCFFFHLHS-LLVKDONJSA-N 0 3 207.317 3.533 20 30 BHEDHN C=CCC(C)(C)CN[C@@H](C)c1ccco1 ZINC000293876229 364776164 /nfs/dbraw/zinc/77/61/64/364776164.db2.gz ZYXWWFCFFFHLHS-NSHDSACASA-N 0 3 207.317 3.533 20 30 BHEDHN C=CCCCCCCN[C@@H](C)c1cc(C)n(C)n1 ZINC000293970141 353765981 /nfs/dbraw/zinc/76/59/81/353765981.db2.gz ASPFZDPUWYEKSP-AWEZNQCLSA-N 0 3 249.402 3.516 20 30 BHEDHN C=CCCCCCCN[C@H](C)c1cc(C)n(C)n1 ZINC000293970146 353765590 /nfs/dbraw/zinc/76/55/90/353765590.db2.gz ASPFZDPUWYEKSP-CQSZACIVSA-N 0 3 249.402 3.516 20 30 BHEDHN C=CCCCCCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000294158116 534673603 /nfs/dbraw/zinc/67/36/03/534673603.db2.gz QOPFNABMISCCHD-KBPBESRZSA-N 0 3 247.386 3.615 20 30 BHEDHN C=CCCCCCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000294158120 534672096 /nfs/dbraw/zinc/67/20/96/534672096.db2.gz QOPFNABMISCCHD-KGLIPLIRSA-N 0 3 247.386 3.615 20 30 BHEDHN C=CCCCCCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000294158125 534672194 /nfs/dbraw/zinc/67/21/94/534672194.db2.gz QOPFNABMISCCHD-UONOGXRCSA-N 0 3 247.386 3.615 20 30 BHEDHN C=CCCCCCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000294158129 534673040 /nfs/dbraw/zinc/67/30/40/534673040.db2.gz QOPFNABMISCCHD-ZIAGYGMSSA-N 0 3 247.386 3.615 20 30 BHEDHN C[C@@H](NCCCC#N)c1cccc(C2CC2)c1 ZINC000294290609 135185616 /nfs/dbraw/zinc/18/56/16/135185616.db2.gz MSVFHIHWVIOUNQ-GFCCVEGCSA-N 0 3 228.339 3.518 20 30 BHEDHN C[C@H](NCCCC#N)c1cccc(C2CC2)c1 ZINC000294290616 135185599 /nfs/dbraw/zinc/18/55/99/135185599.db2.gz MSVFHIHWVIOUNQ-LBPRGKRZSA-N 0 3 228.339 3.518 20 30 BHEDHN C=CC[C@@H]1N(Cc2conc2C)CCCC1(C)C ZINC000294608299 353785161 /nfs/dbraw/zinc/78/51/61/353785161.db2.gz IIQCGGRGZZAAQP-AWEZNQCLSA-N 0 3 248.370 3.550 20 30 BHEDHN C=CC[C@H]1N(Cc2conc2C)CCCC1(C)C ZINC000294608304 353785860 /nfs/dbraw/zinc/78/58/60/353785860.db2.gz IIQCGGRGZZAAQP-CQSZACIVSA-N 0 3 248.370 3.550 20 30 BHEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000294642488 188051044 /nfs/dbraw/zinc/05/10/44/188051044.db2.gz GIZFYOCDYCWAAE-CHWSQXEVSA-N 0 3 233.355 3.624 20 30 BHEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294642501 385877290 /nfs/dbraw/zinc/87/72/90/385877290.db2.gz GIZFYOCDYCWAAE-OLZOCXBDSA-N 0 3 233.355 3.624 20 30 BHEDHN C=CC[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000294642517 188224551 /nfs/dbraw/zinc/22/45/51/188224551.db2.gz GIZFYOCDYCWAAE-QWHCGFSZSA-N 0 3 233.355 3.624 20 30 BHEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294642536 386683667 /nfs/dbraw/zinc/68/36/67/386683667.db2.gz GIZFYOCDYCWAAE-STQMWFEESA-N 0 3 233.355 3.624 20 30 BHEDHN C=CCCN(C)Cc1ccc(C(C)C)nc1C ZINC000294645630 353783404 /nfs/dbraw/zinc/78/34/04/353783404.db2.gz QHUYVECGKDFZNA-UHFFFAOYSA-N 0 3 232.371 3.521 20 30 BHEDHN N#CC[C@@H]1CC[C@H](NCc2ccccc2Cl)C1 ZINC000295119435 181045091 /nfs/dbraw/zinc/04/50/91/181045091.db2.gz WINVFGRIFLUSNN-AAEUAGOBSA-N 0 3 248.757 3.512 20 30 BHEDHN CCc1ccc2nccc(NCCCC#N)c2c1 ZINC000295143232 535833316 /nfs/dbraw/zinc/83/33/16/535833316.db2.gz ZVORDSKQHPHNSC-UHFFFAOYSA-N 0 3 239.322 3.513 20 30 BHEDHN Cc1cc([C@H](C)N[C@H]2CC[C@@H](CC#N)C2)oc1C ZINC000296359485 136290693 /nfs/dbraw/zinc/29/06/93/136290693.db2.gz IRJCONMLNKGPLU-UBHSHLNASA-N 0 3 246.354 3.629 20 30 BHEDHN Cc1cc([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)oc1C ZINC000296359489 178233286 /nfs/dbraw/zinc/23/32/86/178233286.db2.gz IRJCONMLNKGPLU-XBFCOCLRSA-N 0 3 246.354 3.629 20 30 BHEDHN CCc1ccc([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)o1 ZINC000296581035 135192369 /nfs/dbraw/zinc/19/23/69/135192369.db2.gz UHNCGTMAFNJBOM-AGIUHOORSA-N 0 3 246.354 3.575 20 30 BHEDHN CCc1ccc([C@H](C)N[C@H]2CC[C@@H](CC#N)C2)o1 ZINC000296581037 135192043 /nfs/dbraw/zinc/19/20/43/135192043.db2.gz UHNCGTMAFNJBOM-AVGNSLFASA-N 0 3 246.354 3.575 20 30 BHEDHN C=CCC[C@@H](NCCC(C)(F)F)c1ccco1 ZINC000296634796 166295324 /nfs/dbraw/zinc/29/53/24/166295324.db2.gz BOUCXWWFDLYORW-LLVKDONJSA-N 0 3 243.297 3.922 20 30 BHEDHN C=CCC[C@H](NCCC(C)(F)F)c1ccco1 ZINC000296634800 166302517 /nfs/dbraw/zinc/30/25/17/166302517.db2.gz BOUCXWWFDLYORW-NSHDSACASA-N 0 3 243.297 3.922 20 30 BHEDHN C=CCCCCCCN[C@@H](C)c1nccn1CC ZINC000297222588 353843296 /nfs/dbraw/zinc/84/32/96/353843296.db2.gz HHJSUDFSCOEXLR-AWEZNQCLSA-N 0 3 249.402 3.690 20 30 BHEDHN C=CCCCCCCN[C@H](C)c1nccn1CC ZINC000297222589 353844116 /nfs/dbraw/zinc/84/41/16/353844116.db2.gz HHJSUDFSCOEXLR-CQSZACIVSA-N 0 3 249.402 3.690 20 30 BHEDHN C[C@@H](CCC#N)N1CCC[C@H]1c1ccsc1 ZINC000297736733 135196645 /nfs/dbraw/zinc/19/66/45/135196645.db2.gz CVRSJDODSDJRCA-AAEUAGOBSA-N 0 3 234.368 3.577 20 30 BHEDHN C[C@H](CCC#N)N1CCC[C@@H]1c1ccsc1 ZINC000297736735 135196193 /nfs/dbraw/zinc/19/61/93/135196193.db2.gz CVRSJDODSDJRCA-DGCLKSJQSA-N 0 3 234.368 3.577 20 30 BHEDHN C[C@@H](CCC#N)N1CCC[C@@H]1c1ccsc1 ZINC000297736738 135196481 /nfs/dbraw/zinc/19/64/81/135196481.db2.gz CVRSJDODSDJRCA-WCQYABFASA-N 0 3 234.368 3.577 20 30 BHEDHN C[C@H](CCC#N)N1CCC[C@H]1c1ccsc1 ZINC000297736741 135196737 /nfs/dbraw/zinc/19/67/37/135196737.db2.gz CVRSJDODSDJRCA-YPMHNXCESA-N 0 3 234.368 3.577 20 30 BHEDHN CSc1ccccc1[C@H](C)N[C@H](C)CCC#N ZINC000297935813 411483343 /nfs/dbraw/zinc/48/33/43/411483343.db2.gz AAQHZZVCOOCSJY-NEPJUHHUSA-N 0 3 248.395 3.751 20 30 BHEDHN CSc1ccccc1[C@@H](C)N[C@@H](C)CCC#N ZINC000297935816 136291437 /nfs/dbraw/zinc/29/14/37/136291437.db2.gz AAQHZZVCOOCSJY-NWDGAFQWSA-N 0 3 248.395 3.751 20 30 BHEDHN CSc1ccccc1[C@H](C)N[C@@H](C)CCC#N ZINC000297935817 411483322 /nfs/dbraw/zinc/48/33/22/411483322.db2.gz AAQHZZVCOOCSJY-RYUDHWBXSA-N 0 3 248.395 3.751 20 30 BHEDHN CSc1ccccc1[C@@H](C)N[C@H](C)CCC#N ZINC000297935821 411483372 /nfs/dbraw/zinc/48/33/72/411483372.db2.gz AAQHZZVCOOCSJY-VXGBXAGGSA-N 0 3 248.395 3.751 20 30 BHEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(C2CC2)c1 ZINC000298463250 135198998 /nfs/dbraw/zinc/19/89/98/135198998.db2.gz RUYHHMCTHOUEAE-CHWSQXEVSA-N 0 3 242.366 3.907 20 30 BHEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000298463252 135198850 /nfs/dbraw/zinc/19/88/50/135198850.db2.gz RUYHHMCTHOUEAE-OLZOCXBDSA-N 0 3 242.366 3.907 20 30 BHEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(C2CC2)c1 ZINC000298463253 135199036 /nfs/dbraw/zinc/19/90/36/135199036.db2.gz RUYHHMCTHOUEAE-QWHCGFSZSA-N 0 3 242.366 3.907 20 30 BHEDHN C[C@@H](CCC#N)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000298463255 135199238 /nfs/dbraw/zinc/19/92/38/135199238.db2.gz RUYHHMCTHOUEAE-STQMWFEESA-N 0 3 242.366 3.907 20 30 BHEDHN CSc1ccccc1CN(C)[C@H](C)CCC#N ZINC000298491707 135199188 /nfs/dbraw/zinc/19/91/88/135199188.db2.gz JOHSFMBAISXBPM-GFCCVEGCSA-N 0 3 248.395 3.533 20 30 BHEDHN CSc1ccccc1CN(C)[C@@H](C)CCC#N ZINC000298491711 135199128 /nfs/dbraw/zinc/19/91/28/135199128.db2.gz JOHSFMBAISXBPM-LBPRGKRZSA-N 0 3 248.395 3.533 20 30 BHEDHN CSc1ccc([C@H](C)N[C@H](C)CCC#N)cc1 ZINC000298613863 135199837 /nfs/dbraw/zinc/19/98/37/135199837.db2.gz UEGBYGGVOZFKSF-NEPJUHHUSA-N 0 3 248.395 3.751 20 30 BHEDHN CSc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 ZINC000298613872 135199980 /nfs/dbraw/zinc/19/99/80/135199980.db2.gz UEGBYGGVOZFKSF-NWDGAFQWSA-N 0 3 248.395 3.751 20 30 BHEDHN CSc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 ZINC000298613880 135199643 /nfs/dbraw/zinc/19/96/43/135199643.db2.gz UEGBYGGVOZFKSF-RYUDHWBXSA-N 0 3 248.395 3.751 20 30 BHEDHN CSc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 ZINC000298613889 135199736 /nfs/dbraw/zinc/19/97/36/135199736.db2.gz UEGBYGGVOZFKSF-VXGBXAGGSA-N 0 3 248.395 3.751 20 30 BHEDHN C[C@H](CCC#N)N(C)Cc1cc2ccccc2o1 ZINC000299208243 135202578 /nfs/dbraw/zinc/20/25/78/135202578.db2.gz HEARHEPTMKRQNQ-GFCCVEGCSA-N 0 3 242.322 3.557 20 30 BHEDHN C[C@@H](CCC#N)N(C)Cc1cc2ccccc2o1 ZINC000299208259 135202649 /nfs/dbraw/zinc/20/26/49/135202649.db2.gz HEARHEPTMKRQNQ-LBPRGKRZSA-N 0 3 242.322 3.557 20 30 BHEDHN C[C@H](c1ccccc1)N(CCCC#N)C1CC1 ZINC000299377714 135203281 /nfs/dbraw/zinc/20/32/81/135203281.db2.gz MVDVSVNIUVTVHH-CYBMUJFWSA-N 0 3 228.339 3.516 20 30 BHEDHN C[C@@H](c1ccccc1)N(CCCC#N)C1CC1 ZINC000299377720 135203359 /nfs/dbraw/zinc/20/33/59/135203359.db2.gz MVDVSVNIUVTVHH-ZDUSSCGKSA-N 0 3 228.339 3.516 20 30 BHEDHN C[C@H](CCC#N)N1CCC(c2ccsc2)CC1 ZINC000299451661 135204416 /nfs/dbraw/zinc/20/44/16/135204416.db2.gz WSJWDGKQLVELEA-GFCCVEGCSA-N 0 3 248.395 3.620 20 30 BHEDHN C[C@@H](CCC#N)N1CCC(c2ccsc2)CC1 ZINC000299451673 135204620 /nfs/dbraw/zinc/20/46/20/135204620.db2.gz WSJWDGKQLVELEA-LBPRGKRZSA-N 0 3 248.395 3.620 20 30 BHEDHN N#CCCCCN1CCC[C@H]1c1cccc(F)c1 ZINC000299530398 135205053 /nfs/dbraw/zinc/20/50/53/135205053.db2.gz GMVAYVJMDVVLRH-HNNXBMFYSA-N 0 3 246.329 3.656 20 30 BHEDHN N#CCCCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000299530399 135205124 /nfs/dbraw/zinc/20/51/24/135205124.db2.gz GMVAYVJMDVVLRH-OAHLLOKOSA-N 0 3 246.329 3.656 20 30 BHEDHN Cc1cc([C@@H](C)N[C@@H](C)CCC#N)c(C)s1 ZINC000299720739 135206420 /nfs/dbraw/zinc/20/64/20/135206420.db2.gz SGQHPHRRBWVOGL-GXSJLCMTSA-N 0 3 236.384 3.708 20 30 BHEDHN Cc1cc([C@H](C)N[C@H](C)CCC#N)c(C)s1 ZINC000299720740 135206485 /nfs/dbraw/zinc/20/64/85/135206485.db2.gz SGQHPHRRBWVOGL-KOLCDFICSA-N 0 3 236.384 3.708 20 30 BHEDHN Cc1cc([C@@H](C)N[C@H](C)CCC#N)c(C)s1 ZINC000299720741 135206453 /nfs/dbraw/zinc/20/64/53/135206453.db2.gz SGQHPHRRBWVOGL-MWLCHTKSSA-N 0 3 236.384 3.708 20 30 BHEDHN Cc1cc([C@H](C)N[C@@H](C)CCC#N)c(C)s1 ZINC000299720742 135206664 /nfs/dbraw/zinc/20/66/64/135206664.db2.gz SGQHPHRRBWVOGL-ONGXEEELSA-N 0 3 236.384 3.708 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H](CC(C)C)C1 ZINC000300308713 529301321 /nfs/dbraw/zinc/30/13/21/529301321.db2.gz KUYXMDPWMVCNHL-KFWWJZLASA-N 0 3 236.403 3.873 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H](CC(C)C)C1 ZINC000300308714 529301221 /nfs/dbraw/zinc/30/12/21/529301221.db2.gz KUYXMDPWMVCNHL-RBSFLKMASA-N 0 3 236.403 3.873 20 30 BHEDHN C=C(C)CN(C)c1cc(C)nc2ccccc21 ZINC000302077162 134157381 /nfs/dbraw/zinc/15/73/81/134157381.db2.gz WRWLYWNOEPQAPS-UHFFFAOYSA-N 0 3 226.323 3.556 20 30 BHEDHN C=C[C@@H](C)Nc1ccnc2ccc(C)cc21 ZINC000302203319 384970250 /nfs/dbraw/zinc/97/02/50/384970250.db2.gz BYRQEEFMFLLWBM-LLVKDONJSA-N 0 3 212.296 3.530 20 30 BHEDHN C=C[C@H](C)Nc1ccnc2ccc(C)cc21 ZINC000302203320 384970874 /nfs/dbraw/zinc/97/08/74/384970874.db2.gz BYRQEEFMFLLWBM-NSHDSACASA-N 0 3 212.296 3.530 20 30 BHEDHN C=C(C)CN(C)c1ccnc2ccc(C)cc21 ZINC000302220985 134157932 /nfs/dbraw/zinc/15/79/32/134157932.db2.gz MGPDPEREXXARGE-UHFFFAOYSA-N 0 3 226.323 3.556 20 30 BHEDHN C#CCCCCNc1ccnc2ccc(C)cc21 ZINC000302240119 134157883 /nfs/dbraw/zinc/15/78/83/134157883.db2.gz XHNIHWLKKGODKD-UHFFFAOYSA-N 0 3 238.334 3.759 20 30 BHEDHN C#C[C@H](NCc1csc2ccccc12)C(C)C ZINC000302333048 592546837 /nfs/dbraw/zinc/54/68/37/592546837.db2.gz LBPZPMYRLKAFBO-AWEZNQCLSA-N 0 3 243.375 3.649 20 30 BHEDHN C#C[C@@H](NCc1csc2ccccc12)C(C)C ZINC000302333049 592546337 /nfs/dbraw/zinc/54/63/37/592546337.db2.gz LBPZPMYRLKAFBO-CQSZACIVSA-N 0 3 243.375 3.649 20 30 BHEDHN C=CCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000302734817 350095241 /nfs/dbraw/zinc/09/52/41/350095241.db2.gz BUZUOGAODHILEG-UHFFFAOYSA-N 0 3 230.138 3.611 20 30 BHEDHN C=C(C)CN(CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000302748650 526549137 /nfs/dbraw/zinc/54/91/37/526549137.db2.gz UAVHOOLBCHASKK-GFCCVEGCSA-N 0 3 248.326 3.554 20 30 BHEDHN C=C(C)CN(CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000302748651 526549061 /nfs/dbraw/zinc/54/90/61/526549061.db2.gz UAVHOOLBCHASKK-LBPRGKRZSA-N 0 3 248.326 3.554 20 30 BHEDHN C=C(Cl)CN(CCCC)CCCC ZINC000302815420 644786861 /nfs/dbraw/zinc/78/68/61/644786861.db2.gz UFJXTHCVHKUAHW-UHFFFAOYSA-N 0 3 203.757 3.641 20 30 BHEDHN CCCCCCCCCNCc1nccs1 ZINC000302907507 711772120 /nfs/dbraw/zinc/77/21/20/711772120.db2.gz YLRCSGSLXGZERI-UHFFFAOYSA-N 0 3 240.416 3.983 20 30 BHEDHN CC(C)N(CCC#N)CCC1CCCCC1 ZINC000303218668 323127321 /nfs/dbraw/zinc/12/73/21/323127321.db2.gz LUYXVOQJPWQHKL-UHFFFAOYSA-N 0 3 222.376 3.581 20 30 BHEDHN C=CCN(CC=C)CCc1ccccc1Cl ZINC000303251105 385917221 /nfs/dbraw/zinc/91/72/21/385917221.db2.gz NGDUOZNIHFKPPV-UHFFFAOYSA-N 0 3 235.758 3.557 20 30 BHEDHN C=CCN(C/C=C/Cl)CC1CCCCC1 ZINC000303464949 644826199 /nfs/dbraw/zinc/82/61/99/644826199.db2.gz PBCLCBBYWFKQOE-RMKNXTFCSA-N 0 3 227.779 3.807 20 30 BHEDHN C=CCCCN[C@@H](C)c1cc(F)ccc1F ZINC000303520082 527234482 /nfs/dbraw/zinc/23/44/82/527234482.db2.gz LFNYWZNNAIWILV-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCCN[C@H](C)c1cc(F)ccc1F ZINC000303520084 527235809 /nfs/dbraw/zinc/23/58/09/527235809.db2.gz LFNYWZNNAIWILV-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCCN[C@@H](C)c1cccc(F)c1F ZINC000303520114 527234862 /nfs/dbraw/zinc/23/48/62/527234862.db2.gz MQKMZSRHFJKPLV-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCCN[C@H](C)c1cccc(F)c1F ZINC000303520116 527235694 /nfs/dbraw/zinc/23/56/94/527235694.db2.gz MQKMZSRHFJKPLV-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCCN[C@@H](C)c1c(F)cccc1F ZINC000303520665 527234624 /nfs/dbraw/zinc/23/46/24/527234624.db2.gz VKLRDWFYZOYQIZ-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCCN[C@H](C)c1c(F)cccc1F ZINC000303520667 527235513 /nfs/dbraw/zinc/23/55/13/527235513.db2.gz VKLRDWFYZOYQIZ-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(Cl)CN1CCC[C@]2(CC=CCC2)C1 ZINC000303558265 644830520 /nfs/dbraw/zinc/83/05/20/644830520.db2.gz KTWHLPQNQNUEKU-CYBMUJFWSA-N 0 3 225.763 3.561 20 30 BHEDHN C=C(Cl)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000303558266 644829954 /nfs/dbraw/zinc/82/99/54/644829954.db2.gz KTWHLPQNQNUEKU-ZDUSSCGKSA-N 0 3 225.763 3.561 20 30 BHEDHN C=C(Cl)CN1CCC[C@H]1Cc1ccc(C)cc1 ZINC000303603388 644833603 /nfs/dbraw/zinc/83/36/03/644833603.db2.gz NYMSWEXKRXRCBE-HNNXBMFYSA-N 0 3 249.785 3.754 20 30 BHEDHN C=C(Cl)CN1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000303603391 644833716 /nfs/dbraw/zinc/83/37/16/644833716.db2.gz NYMSWEXKRXRCBE-OAHLLOKOSA-N 0 3 249.785 3.754 20 30 BHEDHN C=CCN(CCCCC)Cc1ccc(OC)cc1 ZINC000303664533 369430559 /nfs/dbraw/zinc/43/05/59/369430559.db2.gz DZPRSZJZTNASBD-UHFFFAOYSA-N 0 3 247.382 3.873 20 30 BHEDHN C=C(C)CN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000303689349 369431784 /nfs/dbraw/zinc/43/17/84/369431784.db2.gz LOCLJCKSEHVFKD-DZGCQCFKSA-N 0 3 247.407 3.741 20 30 BHEDHN C=C(C)CN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000303689351 369431773 /nfs/dbraw/zinc/43/17/73/369431773.db2.gz LOCLJCKSEHVFKD-HIFRSBDPSA-N 0 3 247.407 3.741 20 30 BHEDHN C=C(C)CN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000303689526 369432007 /nfs/dbraw/zinc/43/20/07/369432007.db2.gz LOCLJCKSEHVFKD-UKRRQHHQSA-N 0 3 247.407 3.741 20 30 BHEDHN C=C(C)CN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000303689527 369432116 /nfs/dbraw/zinc/43/21/16/369432116.db2.gz LOCLJCKSEHVFKD-ZFWWWQNUSA-N 0 3 247.407 3.741 20 30 BHEDHN C=C(C)CN1CCSC[C@H]1c1ccc(C)cc1 ZINC000303699660 388859063 /nfs/dbraw/zinc/85/90/63/388859063.db2.gz WZONCOJKZKBHGN-HNNXBMFYSA-N 0 3 247.407 3.661 20 30 BHEDHN C=C(C)CN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000303699663 388859828 /nfs/dbraw/zinc/85/98/28/388859828.db2.gz WZONCOJKZKBHGN-OAHLLOKOSA-N 0 3 247.407 3.661 20 30 BHEDHN CC(C)[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000303717624 387227447 /nfs/dbraw/zinc/22/74/47/387227447.db2.gz VOLNSCRZSXXSOH-INIZCTEOSA-N 0 3 242.366 3.569 20 30 BHEDHN CC(C)[C@H]1CCCCN1Cc1ccccc1C#N ZINC000303717625 398293611 /nfs/dbraw/zinc/29/36/11/398293611.db2.gz VOLNSCRZSXXSOH-MRXNPFEDSA-N 0 3 242.366 3.569 20 30 BHEDHN C=CCN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000303758889 388860530 /nfs/dbraw/zinc/86/05/30/388860530.db2.gz NVHKJZZGLZAQSE-CYBMUJFWSA-N 0 3 219.328 3.691 20 30 BHEDHN C=CCN1CCCCC[C@H]1c1ccc(C)o1 ZINC000303758890 388861073 /nfs/dbraw/zinc/86/10/73/388861073.db2.gz NVHKJZZGLZAQSE-ZDUSSCGKSA-N 0 3 219.328 3.691 20 30 BHEDHN CC(C)CN(CCC#N)CCCC(C)(C)C ZINC000303794412 644848069 /nfs/dbraw/zinc/84/80/69/644848069.db2.gz LRJMWUGHEKCBPT-UHFFFAOYSA-N 0 3 224.392 3.684 20 30 BHEDHN C=CCN(CC=C)CCCc1ccc(Cl)cc1 ZINC000303824283 369438648 /nfs/dbraw/zinc/43/86/48/369438648.db2.gz KOEPRPXOJOGNTJ-UHFFFAOYSA-N 0 3 249.785 3.947 20 30 BHEDHN C=C(C)CN(Cc1ccoc1)C1CCCCC1 ZINC000303896340 369441322 /nfs/dbraw/zinc/44/13/22/369441322.db2.gz KWANPYOPNYOSML-UHFFFAOYSA-N 0 3 233.355 3.990 20 30 BHEDHN C=CCCCNc1ccnc2ccccc21 ZINC000303985646 534738253 /nfs/dbraw/zinc/73/82/53/534738253.db2.gz IDIMJDLMJVMARV-UHFFFAOYSA-N 0 3 212.296 3.613 20 30 BHEDHN C=C(Br)CN1CCCCC[C@H]1CC ZINC000306877327 642351210 /nfs/dbraw/zinc/35/12/10/642351210.db2.gz CFMCDPZJMXNWIM-LLVKDONJSA-N 0 3 246.192 3.550 20 30 BHEDHN C=C(Br)CN1CCCCC[C@@H]1CC ZINC000306877329 643267554 /nfs/dbraw/zinc/26/75/54/643267554.db2.gz CFMCDPZJMXNWIM-NSHDSACASA-N 0 3 246.192 3.550 20 30 BHEDHN C=C(Cl)CN(CCCCC)C(C)C ZINC000308233312 642521224 /nfs/dbraw/zinc/52/12/24/642521224.db2.gz PUHUIUFIUGJRAT-UHFFFAOYSA-N 0 3 203.757 3.640 20 30 BHEDHN C=C[C@H](C)N[C@H](CCC)c1ccsc1 ZINC000308499068 135073617 /nfs/dbraw/zinc/07/36/17/135073617.db2.gz FOJYLTBFOMHXHL-CMPLNLGQSA-N 0 3 209.358 3.753 20 30 BHEDHN C=C[C@H](C)N[C@@H](CCC)c1ccsc1 ZINC000308499069 534668569 /nfs/dbraw/zinc/66/85/69/534668569.db2.gz FOJYLTBFOMHXHL-JQWIXIFHSA-N 0 3 209.358 3.753 20 30 BHEDHN C=C[C@@H](C)N[C@@H](CCC)c1ccsc1 ZINC000308499070 534511907 /nfs/dbraw/zinc/51/19/07/534511907.db2.gz FOJYLTBFOMHXHL-PWSUYJOCSA-N 0 3 209.358 3.753 20 30 BHEDHN C=C[C@@H](C)N[C@H](CCC)c1ccsc1 ZINC000308499071 534511201 /nfs/dbraw/zinc/51/12/01/534511201.db2.gz FOJYLTBFOMHXHL-ZYHUDNBSSA-N 0 3 209.358 3.753 20 30 BHEDHN C=CCCCCNCc1sccc1Cl ZINC000308512674 388441177 /nfs/dbraw/zinc/44/11/77/388441177.db2.gz STTHVZKOJRDLIS-UHFFFAOYSA-N 0 3 229.776 3.847 20 30 BHEDHN C=CC[C@@H](CC)NCc1sccc1Cl ZINC000308615579 527053714 /nfs/dbraw/zinc/05/37/14/527053714.db2.gz RSIAHXLNLYXJRX-SECBINFHSA-N 0 3 229.776 3.846 20 30 BHEDHN C=CC[C@H](CC)NCc1sccc1Cl ZINC000308615581 527163436 /nfs/dbraw/zinc/16/34/36/527163436.db2.gz RSIAHXLNLYXJRX-VIFPVBQESA-N 0 3 229.776 3.846 20 30 BHEDHN C=CCCCCNCc1cscc1Cl ZINC000308725320 491137816 /nfs/dbraw/zinc/13/78/16/491137816.db2.gz GGVGUQFQFMCWHJ-UHFFFAOYSA-N 0 3 229.776 3.847 20 30 BHEDHN C=CCCCNCc1ccc(Cl)cc1F ZINC000308780928 527234124 /nfs/dbraw/zinc/23/41/24/527234124.db2.gz PXLKZGMMDCPBQR-UHFFFAOYSA-N 0 3 227.710 3.535 20 30 BHEDHN C=CCCCNCc1c(F)cccc1Cl ZINC000308833571 527232627 /nfs/dbraw/zinc/23/26/27/527232627.db2.gz VEVHCMMOYWWDJQ-UHFFFAOYSA-N 0 3 227.710 3.535 20 30 BHEDHN C=CCCCCN[C@H](C)c1ccc(C)o1 ZINC000308850204 534693656 /nfs/dbraw/zinc/69/36/56/534693656.db2.gz QYFOJRWOWYKKFD-GFCCVEGCSA-N 0 3 207.317 3.595 20 30 BHEDHN C=CCCCCN[C@@H](C)c1ccc(C)o1 ZINC000308850205 534694902 /nfs/dbraw/zinc/69/49/02/534694902.db2.gz QYFOJRWOWYKKFD-LBPRGKRZSA-N 0 3 207.317 3.595 20 30 BHEDHN C=C(Cl)CNC[C@@H](C)c1cccc(Cl)c1 ZINC000308928775 631745626 /nfs/dbraw/zinc/74/56/26/631745626.db2.gz DTFZVGCREDAWNH-SECBINFHSA-N 0 3 244.165 3.786 20 30 BHEDHN C=C(Cl)CNC[C@H](C)c1cccc(Cl)c1 ZINC000308928777 631746495 /nfs/dbraw/zinc/74/64/95/631746495.db2.gz DTFZVGCREDAWNH-VIFPVBQESA-N 0 3 244.165 3.786 20 30 BHEDHN C=C(C)CNCc1c(C)cc(Cl)cc1C ZINC000309001976 526625088 /nfs/dbraw/zinc/62/50/88/526625088.db2.gz OISAPRDMOKMFBK-UHFFFAOYSA-N 0 3 223.747 3.623 20 30 BHEDHN C#C[C@@H](NCc1cc(Cl)cs1)C(C)(C)C ZINC000309019191 631800865 /nfs/dbraw/zinc/80/08/65/631800865.db2.gz VZDBWCJJKVLQHT-LLVKDONJSA-N 0 3 241.787 3.539 20 30 BHEDHN C#C[C@H](NCc1cc(Cl)cs1)C(C)(C)C ZINC000309019192 631800270 /nfs/dbraw/zinc/80/02/70/631800270.db2.gz VZDBWCJJKVLQHT-NSHDSACASA-N 0 3 241.787 3.539 20 30 BHEDHN C#C[C@H](NCc1ccc(Cl)s1)C(C)(C)C ZINC000309024430 631804640 /nfs/dbraw/zinc/80/46/40/631804640.db2.gz ZAWVJURCQFNHLH-JTQLQIEISA-N 0 3 241.787 3.539 20 30 BHEDHN C#C[C@@H](NCc1ccc(Cl)s1)C(C)(C)C ZINC000309024432 631804543 /nfs/dbraw/zinc/80/45/43/631804543.db2.gz ZAWVJURCQFNHLH-SNVBAGLBSA-N 0 3 241.787 3.539 20 30 BHEDHN C=CCCCCNCc1ccccc1Cl ZINC000309046125 527168011 /nfs/dbraw/zinc/16/80/11/527168011.db2.gz NFPAYADQUJBSOJ-UHFFFAOYSA-N 0 3 223.747 3.786 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccccc1SC ZINC000309076192 346959862 /nfs/dbraw/zinc/95/98/62/346959862.db2.gz KPCCDJUJWNCZQH-GHMZBOCLSA-N 0 3 221.369 3.634 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccccc1SC ZINC000309076193 346959739 /nfs/dbraw/zinc/95/97/39/346959739.db2.gz KPCCDJUJWNCZQH-WDEREUQCSA-N 0 3 221.369 3.634 20 30 BHEDHN C=C(C)CNC(C)(C)c1ccc(Cl)cc1 ZINC000309077379 526624690 /nfs/dbraw/zinc/62/46/90/526624690.db2.gz MBTKVQWFVBIALE-UHFFFAOYSA-N 0 3 223.747 3.741 20 30 BHEDHN C=CCCCCCN[C@H](C)c1ccoc1 ZINC000309109620 350013065 /nfs/dbraw/zinc/01/30/65/350013065.db2.gz JGGKMZGWFQFQNV-GFCCVEGCSA-N 0 3 207.317 3.677 20 30 BHEDHN C=CCCCCCN[C@@H](C)c1ccoc1 ZINC000309109621 350012910 /nfs/dbraw/zinc/01/29/10/350012910.db2.gz JGGKMZGWFQFQNV-LBPRGKRZSA-N 0 3 207.317 3.677 20 30 BHEDHN C=CCCCCNCc1cc(C)ccc1F ZINC000309286136 527168345 /nfs/dbraw/zinc/16/83/45/527168345.db2.gz ITDTULCFYQCTKS-UHFFFAOYSA-N 0 3 221.319 3.580 20 30 BHEDHN C=C(C)CCN[C@H](C)c1csc(C(C)C)n1 ZINC000309321412 347035048 /nfs/dbraw/zinc/03/50/48/347035048.db2.gz FHEDWVADGQQMRQ-LLVKDONJSA-N 0 3 238.400 3.883 20 30 BHEDHN C=C(C)CCN[C@@H](C)c1csc(C(C)C)n1 ZINC000309321414 347035300 /nfs/dbraw/zinc/03/53/00/347035300.db2.gz FHEDWVADGQQMRQ-NSHDSACASA-N 0 3 238.400 3.883 20 30 BHEDHN C#CCCCN[C@@H](C)c1c(F)cccc1Cl ZINC000309343403 632005070 /nfs/dbraw/zinc/00/50/70/632005070.db2.gz XUVRDZHTDZMTSG-JTQLQIEISA-N 0 3 239.721 3.543 20 30 BHEDHN C#CCCCN[C@H](C)c1c(F)cccc1Cl ZINC000309343405 632006075 /nfs/dbraw/zinc/00/60/75/632006075.db2.gz XUVRDZHTDZMTSG-SNVBAGLBSA-N 0 3 239.721 3.543 20 30 BHEDHN CC#CCN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000309349045 383897867 /nfs/dbraw/zinc/89/78/67/383897867.db2.gz MJCGBMTYUWURGR-AWEZNQCLSA-N 0 3 235.758 3.650 20 30 BHEDHN CC#CCN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000309349046 383897543 /nfs/dbraw/zinc/89/75/43/383897543.db2.gz MJCGBMTYUWURGR-CQSZACIVSA-N 0 3 235.758 3.650 20 30 BHEDHN C=C(CC)CNC(C)(C)c1cccc(F)c1 ZINC000309356253 322901980 /nfs/dbraw/zinc/90/19/80/322901980.db2.gz AFQDDKDLZFQOKG-UHFFFAOYSA-N 0 3 221.319 3.617 20 30 BHEDHN C=CCC[C@H](N[C@H]1CC1(C)C)c1ccco1 ZINC000309356277 134598112 /nfs/dbraw/zinc/59/81/12/134598112.db2.gz AGQCZPFQQQENKR-AAEUAGOBSA-N 0 3 219.328 3.675 20 30 BHEDHN C=CCC[C@@H](N[C@@H]1CC1(C)C)c1ccco1 ZINC000309356278 347040227 /nfs/dbraw/zinc/04/02/27/347040227.db2.gz AGQCZPFQQQENKR-DGCLKSJQSA-N 0 3 219.328 3.675 20 30 BHEDHN C=CCCCCNCc1ncc(C(C)C)s1 ZINC000309366534 534692519 /nfs/dbraw/zinc/69/25/19/534692519.db2.gz PQBHGGVHZNFXJW-UHFFFAOYSA-N 0 3 238.400 3.712 20 30 BHEDHN C=CC[C@@H](CC)NCc1ccc(Cl)cc1F ZINC000309410703 383976868 /nfs/dbraw/zinc/97/68/68/383976868.db2.gz BSOVFNRKGRTZSM-GFCCVEGCSA-N 0 3 241.737 3.923 20 30 BHEDHN C=CC[C@H](CC)NCc1ccc(Cl)cc1F ZINC000309410706 383978742 /nfs/dbraw/zinc/97/87/42/383978742.db2.gz BSOVFNRKGRTZSM-LBPRGKRZSA-N 0 3 241.737 3.923 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccc2ncsc2c1 ZINC000309504342 384115003 /nfs/dbraw/zinc/11/50/03/384115003.db2.gz BNNZZURRUFANSU-JTQLQIEISA-N 0 3 232.352 3.523 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccc2ncsc2c1 ZINC000309504343 384115015 /nfs/dbraw/zinc/11/50/15/384115015.db2.gz BNNZZURRUFANSU-SNVBAGLBSA-N 0 3 232.352 3.523 20 30 BHEDHN CC(C)(C#N)CCNC(C)(C)c1cccs1 ZINC000309532446 388456502 /nfs/dbraw/zinc/45/65/02/388456502.db2.gz CCUPUZYSWJZMGJ-UHFFFAOYSA-N 0 3 236.384 3.513 20 30 BHEDHN C=C(C)CCN[C@@H](C)c1cc(F)ccc1F ZINC000309550210 384122390 /nfs/dbraw/zinc/12/23/90/384122390.db2.gz HYWNCRMXJXCFMH-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(C)CCN[C@H](C)c1cc(F)ccc1F ZINC000309550211 384903113 /nfs/dbraw/zinc/90/31/13/384903113.db2.gz HYWNCRMXJXCFMH-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCC[C@@H](N[C@H]1CCCC1(F)F)C1CC1 ZINC000309562861 491151693 /nfs/dbraw/zinc/15/16/93/491151693.db2.gz JYFPWEYGCWUOBF-NEPJUHHUSA-N 0 3 229.314 3.509 20 30 BHEDHN C=CCC[C@H](N[C@@H]1CCCC1(F)F)C1CC1 ZINC000309562862 491151665 /nfs/dbraw/zinc/15/16/65/491151665.db2.gz JYFPWEYGCWUOBF-NWDGAFQWSA-N 0 3 229.314 3.509 20 30 BHEDHN C=CCC[C@H](N[C@H]1CCCC1(F)F)C1CC1 ZINC000309563330 491151662 /nfs/dbraw/zinc/15/16/62/491151662.db2.gz JYFPWEYGCWUOBF-RYUDHWBXSA-N 0 3 229.314 3.509 20 30 BHEDHN C=CCC[C@@H](N[C@@H]1CCCC1(F)F)C1CC1 ZINC000309563331 491151676 /nfs/dbraw/zinc/15/16/76/491151676.db2.gz JYFPWEYGCWUOBF-VXGBXAGGSA-N 0 3 229.314 3.509 20 30 BHEDHN C=CCCCCC[C@@H](C)NCc1cscn1 ZINC000309572828 632536550 /nfs/dbraw/zinc/53/65/50/632536550.db2.gz OBQVZUYTVYARIF-GFCCVEGCSA-N 0 3 238.400 3.758 20 30 BHEDHN C=CCCCCC[C@H](C)NCc1cscn1 ZINC000309572830 633956867 /nfs/dbraw/zinc/95/68/67/633956867.db2.gz OBQVZUYTVYARIF-LBPRGKRZSA-N 0 3 238.400 3.758 20 30 BHEDHN CC(C)C[C@@H](C)C[C@@H](C)NCC(C)(C)C#N ZINC000309599010 388458785 /nfs/dbraw/zinc/45/87/85/388458785.db2.gz JLIGOYWWDMMJKD-CHWSQXEVSA-N 0 3 224.392 3.587 20 30 BHEDHN CC(C)C[C@@H](C)C[C@H](C)NCC(C)(C)C#N ZINC000309599011 388459129 /nfs/dbraw/zinc/45/91/29/388459129.db2.gz JLIGOYWWDMMJKD-OLZOCXBDSA-N 0 3 224.392 3.587 20 30 BHEDHN CC(C)C[C@H](C)C[C@@H](C)NCC(C)(C)C#N ZINC000309599012 388459134 /nfs/dbraw/zinc/45/91/34/388459134.db2.gz JLIGOYWWDMMJKD-QWHCGFSZSA-N 0 3 224.392 3.587 20 30 BHEDHN CC(C)C[C@H](C)C[C@H](C)NCC(C)(C)C#N ZINC000309599014 388458779 /nfs/dbraw/zinc/45/87/79/388458779.db2.gz JLIGOYWWDMMJKD-STQMWFEESA-N 0 3 224.392 3.587 20 30 BHEDHN C=C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000309608876 633211423 /nfs/dbraw/zinc/21/14/23/633211423.db2.gz ZJQYTEMWFGSMLK-NXEZZACHSA-N 0 3 239.746 3.579 20 30 BHEDHN C=C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000309608877 711654474 /nfs/dbraw/zinc/65/44/74/711654474.db2.gz ZJQYTEMWFGSMLK-UWVGGRQHSA-N 0 3 239.746 3.579 20 30 BHEDHN C=C[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000309608878 632581980 /nfs/dbraw/zinc/58/19/80/632581980.db2.gz ZJQYTEMWFGSMLK-VHSXEESVSA-N 0 3 239.746 3.579 20 30 BHEDHN C=C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000309608879 632582864 /nfs/dbraw/zinc/58/28/64/632582864.db2.gz ZJQYTEMWFGSMLK-ZJUUUORDSA-N 0 3 239.746 3.579 20 30 BHEDHN CCCCCC[C@H]1CCC[C@@H]1NCCC#N ZINC000309617769 633212714 /nfs/dbraw/zinc/21/27/14/633212714.db2.gz CFGBFGFUBOYPAN-KBPBESRZSA-N 0 3 222.376 3.629 20 30 BHEDHN CCCCCC[C@@H]1CCC[C@@H]1NCCC#N ZINC000309617770 633974183 /nfs/dbraw/zinc/97/41/83/633974183.db2.gz CFGBFGFUBOYPAN-KGLIPLIRSA-N 0 3 222.376 3.629 20 30 BHEDHN CCCCCC[C@H]1CCC[C@H]1NCCC#N ZINC000309617771 711654905 /nfs/dbraw/zinc/65/49/05/711654905.db2.gz CFGBFGFUBOYPAN-UONOGXRCSA-N 0 3 222.376 3.629 20 30 BHEDHN CCCCCC[C@@H]1CCC[C@H]1NCCC#N ZINC000309617772 711654977 /nfs/dbraw/zinc/65/49/77/711654977.db2.gz CFGBFGFUBOYPAN-ZIAGYGMSSA-N 0 3 222.376 3.629 20 30 BHEDHN C=C(CC)CNC1(c2cccc(Cl)c2)CC1 ZINC000309646223 388459385 /nfs/dbraw/zinc/45/93/85/388459385.db2.gz WDLPNZHGKSINMS-UHFFFAOYSA-N 0 3 235.758 3.885 20 30 BHEDHN C=C(C)CCNC(C)(C)c1nc(C)c(C)s1 ZINC000309648654 384689377 /nfs/dbraw/zinc/68/93/77/384689377.db2.gz WXJDRJREBXHDLY-UHFFFAOYSA-N 0 3 238.400 3.551 20 30 BHEDHN CCC#C[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000309653024 491153727 /nfs/dbraw/zinc/15/37/27/491153727.db2.gz YHGXHSVTVBOWDH-CMPLNLGQSA-N 0 3 235.396 3.817 20 30 BHEDHN CCC#C[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000309653025 491153744 /nfs/dbraw/zinc/15/37/44/491153744.db2.gz YHGXHSVTVBOWDH-JQWIXIFHSA-N 0 3 235.396 3.817 20 30 BHEDHN CCC#C[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000309653027 491153721 /nfs/dbraw/zinc/15/37/21/491153721.db2.gz YHGXHSVTVBOWDH-PWSUYJOCSA-N 0 3 235.396 3.817 20 30 BHEDHN CCC#C[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000309653028 491153723 /nfs/dbraw/zinc/15/37/23/491153723.db2.gz YHGXHSVTVBOWDH-ZYHUDNBSSA-N 0 3 235.396 3.817 20 30 BHEDHN C=CCC[C@H](N[C@@H]1CC1(C)C)c1ccco1 ZINC000309657607 347131903 /nfs/dbraw/zinc/13/19/03/347131903.db2.gz AGQCZPFQQQENKR-WCQYABFASA-N 0 3 219.328 3.675 20 30 BHEDHN C=CCC[C@@H](N[C@H]1CC1(C)C)c1ccco1 ZINC000309657614 347131647 /nfs/dbraw/zinc/13/16/47/347131647.db2.gz AGQCZPFQQQENKR-YPMHNXCESA-N 0 3 219.328 3.675 20 30 BHEDHN C=CC[C@@H](CC)N[C@H](C)c1nc(C)sc1C ZINC000309688752 491154428 /nfs/dbraw/zinc/15/44/28/491154428.db2.gz IJETUCMCAFAGSJ-BXKDBHETSA-N 0 3 238.400 3.765 20 30 BHEDHN C=CC[C@H](CC)N[C@@H](C)c1nc(C)sc1C ZINC000309688753 491154450 /nfs/dbraw/zinc/15/44/50/491154450.db2.gz IJETUCMCAFAGSJ-CABZTGNLSA-N 0 3 238.400 3.765 20 30 BHEDHN C=CC[C@@H](CC)N[C@@H](C)c1nc(C)sc1C ZINC000309688754 491154441 /nfs/dbraw/zinc/15/44/41/491154441.db2.gz IJETUCMCAFAGSJ-JOYOIKCWSA-N 0 3 238.400 3.765 20 30 BHEDHN C=CC[C@H](CC)N[C@H](C)c1nc(C)sc1C ZINC000309688756 491154457 /nfs/dbraw/zinc/15/44/57/491154457.db2.gz IJETUCMCAFAGSJ-SKDRFNHKSA-N 0 3 238.400 3.765 20 30 BHEDHN C=C(C)CNC1(c2ccc(Cl)cc2)CCC1 ZINC000309691489 384977001 /nfs/dbraw/zinc/97/70/01/384977001.db2.gz PWTASTQNJBWIML-UHFFFAOYSA-N 0 3 235.758 3.885 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000309738583 388463352 /nfs/dbraw/zinc/46/33/52/388463352.db2.gz CVQBNOHQEATWBT-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(CC)CNC(C)(C)c1ccccc1F ZINC000309741136 388463212 /nfs/dbraw/zinc/46/32/12/388463212.db2.gz DHVGOMISYTWESN-UHFFFAOYSA-N 0 3 221.319 3.617 20 30 BHEDHN CCC#C[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000309751285 491155546 /nfs/dbraw/zinc/15/55/46/491155546.db2.gz GSXLSBHWDRTQBH-NWDGAFQWSA-N 0 3 235.758 3.793 20 30 BHEDHN CCC#C[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000309751287 491155590 /nfs/dbraw/zinc/15/55/90/491155590.db2.gz GSXLSBHWDRTQBH-VXGBXAGGSA-N 0 3 235.758 3.793 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000309767665 388464033 /nfs/dbraw/zinc/46/40/33/388464033.db2.gz JUZHSXNXQOLNHU-GFCCVEGCSA-N 0 3 221.319 3.751 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc(F)c(C)c1 ZINC000309767668 388464012 /nfs/dbraw/zinc/46/40/12/388464012.db2.gz JUZHSXNXQOLNHU-LBPRGKRZSA-N 0 3 221.319 3.751 20 30 BHEDHN C=CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000309812400 398044411 /nfs/dbraw/zinc/04/44/11/398044411.db2.gz UOIZIMMEZSLZFQ-DDTOSNHZSA-N 0 3 235.758 3.813 20 30 BHEDHN C=CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000309812401 398044354 /nfs/dbraw/zinc/04/43/54/398044354.db2.gz UOIZIMMEZSLZFQ-LERXQTSPSA-N 0 3 235.758 3.813 20 30 BHEDHN C=CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000309812402 398044445 /nfs/dbraw/zinc/04/44/45/398044445.db2.gz UOIZIMMEZSLZFQ-LEWSCRJBSA-N 0 3 235.758 3.813 20 30 BHEDHN C=CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000309812403 398044525 /nfs/dbraw/zinc/04/45/25/398044525.db2.gz UOIZIMMEZSLZFQ-ZLKJLUDKSA-N 0 3 235.758 3.813 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cc(F)ccc1F ZINC000309820945 385038036 /nfs/dbraw/zinc/03/80/36/385038036.db2.gz WHUQYDAJBQEMTN-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cc(F)ccc1F ZINC000309820947 388465789 /nfs/dbraw/zinc/46/57/89/388465789.db2.gz WHUQYDAJBQEMTN-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc(F)cc1F ZINC000309829880 388465369 /nfs/dbraw/zinc/46/53/69/388465369.db2.gz YGLPTISKYGCDDB-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(C)CCN[C@H](C)c1ccc(F)cc1F ZINC000309845460 384664674 /nfs/dbraw/zinc/66/46/74/384664674.db2.gz GFLZWCBJZWUKHX-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCCCNCc1nc(CCC)cs1 ZINC000309975656 384755996 /nfs/dbraw/zinc/75/59/96/384755996.db2.gz SNFPCEBYZJGRDY-UHFFFAOYSA-N 0 3 238.400 3.542 20 30 BHEDHN CC[C@@H](CC#N)NCCCC1CCCCC1 ZINC000310000813 347216965 /nfs/dbraw/zinc/21/69/65/347216965.db2.gz DTQCJPZWLDDPBQ-AWEZNQCLSA-N 0 3 222.376 3.629 20 30 BHEDHN CC[C@H](CC#N)NCCCC1CCCCC1 ZINC000310000814 347216816 /nfs/dbraw/zinc/21/68/16/347216816.db2.gz DTQCJPZWLDDPBQ-CQSZACIVSA-N 0 3 222.376 3.629 20 30 BHEDHN C=CC[C@H](CC)N[C@H](C)c1ccc(CC)o1 ZINC000310005521 388472256 /nfs/dbraw/zinc/47/22/56/388472256.db2.gz GNUVEMZMJVCRDG-NEPJUHHUSA-N 0 3 221.344 3.847 20 30 BHEDHN C=CC[C@@H](CC)N[C@@H](C)c1ccc(CC)o1 ZINC000310005524 527055002 /nfs/dbraw/zinc/05/50/02/527055002.db2.gz GNUVEMZMJVCRDG-NWDGAFQWSA-N 0 3 221.344 3.847 20 30 BHEDHN C=CC[C@H](CC)N[C@@H](C)c1ccc(CC)o1 ZINC000310005525 388472472 /nfs/dbraw/zinc/47/24/72/388472472.db2.gz GNUVEMZMJVCRDG-RYUDHWBXSA-N 0 3 221.344 3.847 20 30 BHEDHN C=CC[C@@H](CC)N[C@H](C)c1ccc(CC)o1 ZINC000310005527 388471829 /nfs/dbraw/zinc/47/18/29/388471829.db2.gz GNUVEMZMJVCRDG-VXGBXAGGSA-N 0 3 221.344 3.847 20 30 BHEDHN CC[C@@H](CC#N)NC1CCC(C)(CC)CC1 ZINC000310019649 384787004 /nfs/dbraw/zinc/78/70/04/384787004.db2.gz MOKCBUNEGSVEES-HSBZDZAISA-N 0 3 222.376 3.627 20 30 BHEDHN CC[C@H](CC#N)NC1CCC(C)(CC)CC1 ZINC000310019650 384785622 /nfs/dbraw/zinc/78/56/22/384785622.db2.gz MOKCBUNEGSVEES-IYXRBSQSSA-N 0 3 222.376 3.627 20 30 BHEDHN C=CCC[C@@H](CCC)N[C@H]1CCCC1(F)F ZINC000310026884 491160312 /nfs/dbraw/zinc/16/03/12/491160312.db2.gz PUPHINOSHYMJSE-NEPJUHHUSA-N 0 3 231.330 3.899 20 30 BHEDHN C=CCC[C@H](CCC)N[C@@H]1CCCC1(F)F ZINC000310026888 491160319 /nfs/dbraw/zinc/16/03/19/491160319.db2.gz PUPHINOSHYMJSE-NWDGAFQWSA-N 0 3 231.330 3.899 20 30 BHEDHN C=CCC[C@H](CCC)N[C@H]1CCCC1(F)F ZINC000310026892 583085574 /nfs/dbraw/zinc/08/55/74/583085574.db2.gz PUPHINOSHYMJSE-RYUDHWBXSA-N 0 3 231.330 3.899 20 30 BHEDHN C=CCC[C@@H](CCC)N[C@@H]1CCCC1(F)F ZINC000310026895 491160289 /nfs/dbraw/zinc/16/02/89/491160289.db2.gz PUPHINOSHYMJSE-VXGBXAGGSA-N 0 3 231.330 3.899 20 30 BHEDHN CC[C@H](CC#N)N[C@H](C)C[C@@H](C)CC(C)C ZINC000310039551 347222450 /nfs/dbraw/zinc/22/24/50/347222450.db2.gz XBSUPZFDSSLDIO-BFHYXJOUSA-N 0 3 224.392 3.729 20 30 BHEDHN CC[C@H](CC#N)N[C@@H](C)C[C@H](C)CC(C)C ZINC000310039552 347222506 /nfs/dbraw/zinc/22/25/06/347222506.db2.gz XBSUPZFDSSLDIO-HZSPNIEDSA-N 0 3 224.392 3.729 20 30 BHEDHN CC[C@H](CC#N)N[C@@H](C)C[C@@H](C)CC(C)C ZINC000310039553 347222396 /nfs/dbraw/zinc/22/23/96/347222396.db2.gz XBSUPZFDSSLDIO-MELADBBJSA-N 0 3 224.392 3.729 20 30 BHEDHN CC[C@H](CC#N)N[C@H](C)C[C@H](C)CC(C)C ZINC000310039554 347222359 /nfs/dbraw/zinc/22/23/59/347222359.db2.gz XBSUPZFDSSLDIO-MGPQQGTHSA-N 0 3 224.392 3.729 20 30 BHEDHN C=CCCCCNCc1cc(F)c(F)c(F)c1 ZINC000310067422 388475387 /nfs/dbraw/zinc/47/53/87/388475387.db2.gz BZUJTWFPRDKPNZ-UHFFFAOYSA-N 0 3 243.272 3.550 20 30 BHEDHN C=CCCCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000310179163 388477743 /nfs/dbraw/zinc/47/77/43/388477743.db2.gz NABGHQFHUOLIRL-GXTWGEPZSA-N 0 3 233.355 3.849 20 30 BHEDHN C=CCCCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000310179164 388477836 /nfs/dbraw/zinc/47/78/36/388477836.db2.gz NABGHQFHUOLIRL-JSGCOSHPSA-N 0 3 233.355 3.849 20 30 BHEDHN C=CCCCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000310179165 388477801 /nfs/dbraw/zinc/47/78/01/388477801.db2.gz NABGHQFHUOLIRL-OCCSQVGLSA-N 0 3 233.355 3.849 20 30 BHEDHN C=CCCCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000310179166 388477819 /nfs/dbraw/zinc/47/78/19/388477819.db2.gz NABGHQFHUOLIRL-TZMCWYRMSA-N 0 3 233.355 3.849 20 30 BHEDHN C=CCCCCCC[NH2+]Cc1ccccc1[O-] ZINC000310182495 635332416 /nfs/dbraw/zinc/33/24/16/635332416.db2.gz XOEQZIDIOQCXHK-UHFFFAOYSA-N 0 3 233.355 3.618 20 30 BHEDHN C=CCCCCN[C@H](CC)c1ccc(F)cn1 ZINC000310221785 384685711 /nfs/dbraw/zinc/68/57/11/384685711.db2.gz XGVGQKKTIULXIH-CYBMUJFWSA-N 0 3 236.334 3.618 20 30 BHEDHN C=CCCCCN[C@@H](CC)c1ccc(F)cn1 ZINC000310221787 384686560 /nfs/dbraw/zinc/68/65/60/384686560.db2.gz XGVGQKKTIULXIH-ZDUSSCGKSA-N 0 3 236.334 3.618 20 30 BHEDHN C=CCCCCN[C@H](C)c1cccc(F)c1F ZINC000310233411 388478864 /nfs/dbraw/zinc/47/88/64/388478864.db2.gz ZNVGFGIQJUILND-LLVKDONJSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCCCN[C@@H](C)c1cccc(F)c1F ZINC000310233415 388478848 /nfs/dbraw/zinc/47/88/48/388478848.db2.gz ZNVGFGIQJUILND-NSHDSACASA-N 0 3 239.309 3.972 20 30 BHEDHN CC[C@@H](CC#N)N[C@H]1CCCCC12CCCC2 ZINC000310235116 347250313 /nfs/dbraw/zinc/25/03/13/347250313.db2.gz ICBHSDMZVKMRKT-KBPBESRZSA-N 0 3 234.387 3.771 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CCCCC12CCCC2 ZINC000310235121 347250170 /nfs/dbraw/zinc/25/01/70/347250170.db2.gz ICBHSDMZVKMRKT-KGLIPLIRSA-N 0 3 234.387 3.771 20 30 BHEDHN CC[C@@H](CC#N)N[C@@H]1CCCCC12CCCC2 ZINC000310235125 347250362 /nfs/dbraw/zinc/25/03/62/347250362.db2.gz ICBHSDMZVKMRKT-UONOGXRCSA-N 0 3 234.387 3.771 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CCCCC12CCCC2 ZINC000310235130 347250598 /nfs/dbraw/zinc/25/05/98/347250598.db2.gz ICBHSDMZVKMRKT-ZIAGYGMSSA-N 0 3 234.387 3.771 20 30 BHEDHN CC[C@@H](CC#N)NCC1CCC(C(C)C)CC1 ZINC000310250413 388478393 /nfs/dbraw/zinc/47/83/93/388478393.db2.gz WFKYSMZFFSALTJ-NRXISQOPSA-N 0 3 236.403 3.731 20 30 BHEDHN CC[C@H](CC#N)NCC1CCC(C(C)C)CC1 ZINC000310250414 388478906 /nfs/dbraw/zinc/47/89/06/388478906.db2.gz WFKYSMZFFSALTJ-YMAMQOFZSA-N 0 3 236.403 3.731 20 30 BHEDHN CCN(C[C@H](C)C#N)CC1CCC(C)(C)CC1 ZINC000310266298 384733388 /nfs/dbraw/zinc/73/33/88/384733388.db2.gz RNHOMIADICSUFQ-CYBMUJFWSA-N 0 3 236.403 3.684 20 30 BHEDHN CCN(C[C@@H](C)C#N)CC1CCC(C)(C)CC1 ZINC000310266300 384732771 /nfs/dbraw/zinc/73/27/71/384732771.db2.gz RNHOMIADICSUFQ-ZDUSSCGKSA-N 0 3 236.403 3.684 20 30 BHEDHN C=CCCCCN[C@H](C)c1cc(F)ccc1F ZINC000310351352 384795068 /nfs/dbraw/zinc/79/50/68/384795068.db2.gz GYTWJRBQEWIINR-LLVKDONJSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCCCN[C@@H](C)c1cc(F)ccc1F ZINC000310351353 384795280 /nfs/dbraw/zinc/79/52/80/384795280.db2.gz GYTWJRBQEWIINR-NSHDSACASA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000310421774 634145184 /nfs/dbraw/zinc/14/51/84/634145184.db2.gz ZDMNWMMIOBFCFL-AWEZNQCLSA-N 0 3 233.355 3.789 20 30 BHEDHN C=CCCCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000310421778 632738375 /nfs/dbraw/zinc/73/83/75/632738375.db2.gz ZDMNWMMIOBFCFL-CQSZACIVSA-N 0 3 233.355 3.789 20 30 BHEDHN CCCC[C@@H](C)N(C)Cc1ccccc1C#N ZINC000310425068 388669868 /nfs/dbraw/zinc/66/98/68/388669868.db2.gz RJKSDHDGIWWFOR-CYBMUJFWSA-N 0 3 230.355 3.569 20 30 BHEDHN CCCC[C@H](C)N(C)Cc1ccccc1C#N ZINC000310425069 388669918 /nfs/dbraw/zinc/66/99/18/388669918.db2.gz RJKSDHDGIWWFOR-ZDUSSCGKSA-N 0 3 230.355 3.569 20 30 BHEDHN C=CCC(C)(C)CNCc1ccc(Cl)o1 ZINC000310467754 388483488 /nfs/dbraw/zinc/48/34/88/388483488.db2.gz HJVVYJSQWNQKOE-UHFFFAOYSA-N 0 3 227.735 3.625 20 30 BHEDHN C=CCC(C)(C)CNCc1cccc(F)c1F ZINC000310469070 370346788 /nfs/dbraw/zinc/34/67/88/370346788.db2.gz HTTBTXVVMQRTBB-UHFFFAOYSA-N 0 3 239.309 3.657 20 30 BHEDHN CC(C)N(CCC#N)C[C@H](C)C1CCCCC1 ZINC000310483963 343509642 /nfs/dbraw/zinc/50/96/42/343509642.db2.gz MIHPEUTYFSLKSR-AWEZNQCLSA-N 0 3 236.403 3.827 20 30 BHEDHN CC(C)N(CCC#N)C[C@@H](C)C1CCCCC1 ZINC000310483964 343509727 /nfs/dbraw/zinc/50/97/27/343509727.db2.gz MIHPEUTYFSLKSR-CQSZACIVSA-N 0 3 236.403 3.827 20 30 BHEDHN C=CCC(C)(C)CNCc1c(F)cccc1F ZINC000310537934 388485236 /nfs/dbraw/zinc/48/52/36/388485236.db2.gz BFJBHRUXPVZJNL-UHFFFAOYSA-N 0 3 239.309 3.657 20 30 BHEDHN C=CCC(C)(C)CNCc1ccc(F)cc1F ZINC000310564891 322965280 /nfs/dbraw/zinc/96/52/80/322965280.db2.gz LFRMKZGEDXLLSQ-UHFFFAOYSA-N 0 3 239.309 3.657 20 30 BHEDHN C=CCC(C)(C)CNCc1cc(F)ccc1F ZINC000310569796 388484472 /nfs/dbraw/zinc/48/44/72/388484472.db2.gz NOVWFURKYAEGRO-UHFFFAOYSA-N 0 3 239.309 3.657 20 30 BHEDHN CCCN(Cc1cc(C#N)ccc1F)CC(C)C ZINC000310871881 388671185 /nfs/dbraw/zinc/67/11/85/388671185.db2.gz SSDCQAMBSITYQU-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN CCCN(Cc1cc(F)ccc1C#N)CC(C)C ZINC000310913039 384532563 /nfs/dbraw/zinc/53/25/63/384532563.db2.gz FMLFTUZEZOKTFV-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN CC(C)(C)C(C)(C)NCc1ccc(C#N)cc1F ZINC000311056042 398058911 /nfs/dbraw/zinc/05/89/11/398058911.db2.gz HRRMTDFITMMHAX-UHFFFAOYSA-N 0 3 248.345 3.612 20 30 BHEDHN CCN(Cc1cccc(C#N)c1F)CC(C)(C)C ZINC000311182624 384815475 /nfs/dbraw/zinc/81/54/75/384815475.db2.gz ZJSXTUWVFXPTMP-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN CCCC[C@@H](C)N(C)Cc1cccc(C#N)c1F ZINC000311192550 388673155 /nfs/dbraw/zinc/67/31/55/388673155.db2.gz FBWNXLYIDJVNBV-GFCCVEGCSA-N 0 3 248.345 3.708 20 30 BHEDHN CCCC[C@H](C)N(C)Cc1cccc(C#N)c1F ZINC000311192551 388672678 /nfs/dbraw/zinc/67/26/78/388672678.db2.gz FBWNXLYIDJVNBV-LBPRGKRZSA-N 0 3 248.345 3.708 20 30 BHEDHN CCCC[C@@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000311233989 259330274 /nfs/dbraw/zinc/33/02/74/259330274.db2.gz SDKRKZVWZKJPAY-GFCCVEGCSA-N 0 3 248.345 3.708 20 30 BHEDHN CCCC[C@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000311234070 259330283 /nfs/dbraw/zinc/33/02/83/259330283.db2.gz SDKRKZVWZKJPAY-LBPRGKRZSA-N 0 3 248.345 3.708 20 30 BHEDHN C#CCCCNCc1cc(Cl)sc1Cl ZINC000312599366 641443601 /nfs/dbraw/zinc/44/36/01/641443601.db2.gz KJMKLZIISQSCBL-UHFFFAOYSA-N 0 3 248.178 3.558 20 30 BHEDHN C=CCCNCc1cc(Cl)sc1Cl ZINC000312602095 411183183 /nfs/dbraw/zinc/18/31/83/411183183.db2.gz MQXDWCKQKPTVMP-UHFFFAOYSA-N 0 3 236.167 3.721 20 30 BHEDHN C=CC(C)(C)CNCc1ccsc1Cl ZINC000312614552 256526276 /nfs/dbraw/zinc/52/62/76/256526276.db2.gz NTJVNEQKLZSGMY-UHFFFAOYSA-N 0 3 229.776 3.703 20 30 BHEDHN CC(C)(C#N)CN[C@@H]1CCCC12CCCCC2 ZINC000313094846 383866368 /nfs/dbraw/zinc/86/63/68/383866368.db2.gz DDCBZQNYRIFUMB-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN CC(C)(C#N)CN[C@H]1CCCC12CCCCC2 ZINC000313094852 383866632 /nfs/dbraw/zinc/86/66/32/383866632.db2.gz DDCBZQNYRIFUMB-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@@H](CC#N)N[C@H]1CCCC12CCCCC2 ZINC000313096443 383870919 /nfs/dbraw/zinc/87/09/19/383870919.db2.gz DRAGTVOSKUPUSM-KBPBESRZSA-N 0 3 234.387 3.771 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CCCC12CCCCC2 ZINC000313096444 383868796 /nfs/dbraw/zinc/86/87/96/383868796.db2.gz DRAGTVOSKUPUSM-KGLIPLIRSA-N 0 3 234.387 3.771 20 30 BHEDHN CC[C@@H](CC#N)N[C@@H]1CCCC12CCCCC2 ZINC000313096445 383870148 /nfs/dbraw/zinc/87/01/48/383870148.db2.gz DRAGTVOSKUPUSM-UONOGXRCSA-N 0 3 234.387 3.771 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CCCC12CCCCC2 ZINC000313096447 383870350 /nfs/dbraw/zinc/87/03/50/383870350.db2.gz DRAGTVOSKUPUSM-ZIAGYGMSSA-N 0 3 234.387 3.771 20 30 BHEDHN CCC[C@H](N[C@@H](CC)CC#N)C1CCCC1 ZINC000313395395 259334272 /nfs/dbraw/zinc/33/42/72/259334272.db2.gz HMXWPHFRGBNJMR-KBPBESRZSA-N 0 3 222.376 3.627 20 30 BHEDHN CCC[C@H](N[C@H](CC)CC#N)C1CCCC1 ZINC000313395396 259334493 /nfs/dbraw/zinc/33/44/93/259334493.db2.gz HMXWPHFRGBNJMR-KGLIPLIRSA-N 0 3 222.376 3.627 20 30 BHEDHN CCC[C@@H](N[C@@H](CC)CC#N)C1CCCC1 ZINC000313395398 259334345 /nfs/dbraw/zinc/33/43/45/259334345.db2.gz HMXWPHFRGBNJMR-UONOGXRCSA-N 0 3 222.376 3.627 20 30 BHEDHN CCC[C@@H](N[C@H](CC)CC#N)C1CCCC1 ZINC000313395400 259334347 /nfs/dbraw/zinc/33/43/47/259334347.db2.gz HMXWPHFRGBNJMR-ZIAGYGMSSA-N 0 3 222.376 3.627 20 30 BHEDHN CC(C)(C)CCCNCc1ccc(C#N)cc1F ZINC000313470460 326267960 /nfs/dbraw/zinc/26/79/60/326267960.db2.gz OJECYHVSRNOSGM-UHFFFAOYSA-N 0 3 248.345 3.613 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cc(C)ccc1OC ZINC000313479698 322956987 /nfs/dbraw/zinc/95/69/87/322956987.db2.gz HRJARGFDUQOSEC-CYBMUJFWSA-N 0 3 233.355 3.620 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cc(C)ccc1OC ZINC000313479699 384418208 /nfs/dbraw/zinc/41/82/08/384418208.db2.gz HRJARGFDUQOSEC-ZDUSSCGKSA-N 0 3 233.355 3.620 20 30 BHEDHN C=C(CC)CNCc1ccc(C(F)F)cc1 ZINC000313482158 370590397 /nfs/dbraw/zinc/59/03/97/370590397.db2.gz MCQBXPIRQMMMRL-UHFFFAOYSA-N 0 3 225.282 3.680 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000313482790 491125954 /nfs/dbraw/zinc/12/59/54/491125954.db2.gz MNZVNZJXSLBTOE-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000313482792 491125956 /nfs/dbraw/zinc/12/59/56/491125956.db2.gz MNZVNZJXSLBTOE-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(CC)CN[C@@H]1CCSc2ccccc21 ZINC000313484897 398257130 /nfs/dbraw/zinc/25/71/30/398257130.db2.gz SAJFKRAFHYMWLN-CYBMUJFWSA-N 0 3 233.380 3.779 20 30 BHEDHN C=C(CC)CN[C@H]1CCSc2ccccc21 ZINC000313485551 259335782 /nfs/dbraw/zinc/33/57/82/259335782.db2.gz SAJFKRAFHYMWLN-ZDUSSCGKSA-N 0 3 233.380 3.779 20 30 BHEDHN C=C(CC)CNCc1cccc(OC(C)C)c1 ZINC000313488036 259335680 /nfs/dbraw/zinc/33/56/80/259335680.db2.gz ZXJHWUFBJPVWFV-UHFFFAOYSA-N 0 3 233.355 3.530 20 30 BHEDHN C=C(CC)CNCc1ccc2nc(C)ccc2c1 ZINC000313492252 384421862 /nfs/dbraw/zinc/42/18/62/384421862.db2.gz NBUZANIAXQJESZ-UHFFFAOYSA-N 0 3 240.350 3.599 20 30 BHEDHN C=C(CC)CN[C@H](CC)c1ccsc1 ZINC000313493122 384421661 /nfs/dbraw/zinc/42/16/61/384421661.db2.gz FFHIWLXMHRIBGY-GFCCVEGCSA-N 0 3 209.358 3.755 20 30 BHEDHN C=C(CC)CN[C@@H](CC)c1ccsc1 ZINC000313493123 256550129 /nfs/dbraw/zinc/55/01/29/256550129.db2.gz FFHIWLXMHRIBGY-LBPRGKRZSA-N 0 3 209.358 3.755 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cnc2ccsc2c1 ZINC000313493732 256550133 /nfs/dbraw/zinc/55/01/33/256550133.db2.gz GFJUQKZHWAQRRS-LLVKDONJSA-N 0 3 246.379 3.913 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cnc2ccsc2c1 ZINC000313493733 384420437 /nfs/dbraw/zinc/42/04/37/384420437.db2.gz GFJUQKZHWAQRRS-NSHDSACASA-N 0 3 246.379 3.913 20 30 BHEDHN C=C(CC)CN[C@H](C)c1csc(C)c1 ZINC000313494349 384422603 /nfs/dbraw/zinc/42/26/03/384422603.db2.gz HGAWJRSVNMLTDV-LLVKDONJSA-N 0 3 209.358 3.673 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1csc(C)c1 ZINC000313494350 384422897 /nfs/dbraw/zinc/42/28/97/384422897.db2.gz HGAWJRSVNMLTDV-NSHDSACASA-N 0 3 209.358 3.673 20 30 BHEDHN C=C(CC)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000313498631 344088567 /nfs/dbraw/zinc/08/85/67/344088567.db2.gz FXTPIOFNXRLJAX-AWEZNQCLSA-N 0 3 248.326 3.602 20 30 BHEDHN C=C(CC)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000313498636 344088860 /nfs/dbraw/zinc/08/88/60/344088860.db2.gz FXTPIOFNXRLJAX-CQSZACIVSA-N 0 3 248.326 3.602 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000313506335 323092563 /nfs/dbraw/zinc/09/25/63/323092563.db2.gz QYJVUSIECXKGNN-GFCCVEGCSA-N 0 3 248.326 3.520 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000313506337 323092519 /nfs/dbraw/zinc/09/25/19/323092519.db2.gz QYJVUSIECXKGNN-LBPRGKRZSA-N 0 3 248.326 3.520 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc(OCC)cc1 ZINC000313529311 344098546 /nfs/dbraw/zinc/09/85/46/344098546.db2.gz CABLBMIBQQAJQW-CYBMUJFWSA-N 0 3 233.355 3.702 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc(OCC)cc1 ZINC000313529313 350160490 /nfs/dbraw/zinc/16/04/90/350160490.db2.gz CABLBMIBQQAJQW-ZDUSSCGKSA-N 0 3 233.355 3.702 20 30 BHEDHN C=C(CC)CN[C@@H](CC)c1ccccc1OC ZINC000313532757 344099067 /nfs/dbraw/zinc/09/90/67/344099067.db2.gz HFAUADMDTGITLN-AWEZNQCLSA-N 0 3 233.355 3.702 20 30 BHEDHN C=C(CC)CN[C@H](CC)c1ccccc1OC ZINC000313532759 344099398 /nfs/dbraw/zinc/09/93/98/344099398.db2.gz HFAUADMDTGITLN-CQSZACIVSA-N 0 3 233.355 3.702 20 30 BHEDHN C=C(CC)CNCc1ccc(OC(C)C)cc1 ZINC000313534762 385190626 /nfs/dbraw/zinc/19/06/26/385190626.db2.gz KSFVMYYZZOJBEY-UHFFFAOYSA-N 0 3 233.355 3.530 20 30 BHEDHN C=C(CC)CNCc1ccccc1OC(C)C ZINC000313535280 259336408 /nfs/dbraw/zinc/33/64/08/259336408.db2.gz LJQLFULGVJARPV-UHFFFAOYSA-N 0 3 233.355 3.530 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc(C)cc1OC ZINC000313539120 711727515 /nfs/dbraw/zinc/72/75/15/711727515.db2.gz PSBURPAYGSAZHD-CYBMUJFWSA-N 0 3 233.355 3.620 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc(C)cc1OC ZINC000313539122 711727488 /nfs/dbraw/zinc/72/74/88/711727488.db2.gz PSBURPAYGSAZHD-ZDUSSCGKSA-N 0 3 233.355 3.620 20 30 BHEDHN C=CCCCCCNCc1csc(CC)n1 ZINC000328282182 364822863 /nfs/dbraw/zinc/82/28/63/364822863.db2.gz PUCQHBPQBOWUPD-UHFFFAOYSA-N 0 3 238.400 3.542 20 30 BHEDHN CC1(C#N)CCN([C@H]2/C=C/CCCCC2)CC1 ZINC000334244697 346451520 /nfs/dbraw/zinc/45/15/20/346451520.db2.gz CCHOVYCOMKFBDU-DYLGSBMWSA-N 0 3 232.371 3.501 20 30 BHEDHN CC1(C#N)CCN([C@@H]2/C=C/CCCCC2)CC1 ZINC000334244700 346451439 /nfs/dbraw/zinc/45/14/39/346451439.db2.gz CCHOVYCOMKFBDU-HZRUHFOJSA-N 0 3 232.371 3.501 20 30 BHEDHN CC[C@@H](c1ccccc1)N1CCC(C)(C#N)CC1 ZINC000334244944 352834363 /nfs/dbraw/zinc/83/43/63/352834363.db2.gz RJADLJBPLGMHND-HNNXBMFYSA-N 0 3 242.366 3.763 20 30 BHEDHN CC[C@H](c1ccccc1)N1CCC(C)(C#N)CC1 ZINC000334244945 352834524 /nfs/dbraw/zinc/83/45/24/352834524.db2.gz RJADLJBPLGMHND-OAHLLOKOSA-N 0 3 242.366 3.763 20 30 BHEDHN Cc1cc(C)nc(NC2CCC(C)(C#N)CC2)c1 ZINC000334665284 354466843 /nfs/dbraw/zinc/46/68/43/354466843.db2.gz DVAPSRIFIFUJHD-UHFFFAOYSA-N 0 3 243.354 3.583 20 30 BHEDHN Cc1cccc([C@H](C)N2CCC(C)(C#N)CC2)c1 ZINC000335973864 134030302 /nfs/dbraw/zinc/03/03/02/134030302.db2.gz BOIZQJOIOIJPTL-AWEZNQCLSA-N 0 3 242.366 3.682 20 30 BHEDHN Cc1cccc([C@@H](C)N2CCC(C)(C#N)CC2)c1 ZINC000335973865 134030559 /nfs/dbraw/zinc/03/05/59/134030559.db2.gz BOIZQJOIOIJPTL-CQSZACIVSA-N 0 3 242.366 3.682 20 30 BHEDHN C[C@H](c1ccccc1F)N1CCC(CC#N)CC1 ZINC000335977034 134031690 /nfs/dbraw/zinc/03/16/90/134031690.db2.gz GUULQVVACIFSCU-GFCCVEGCSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@@H](c1ccccc1F)N1CCC(CC#N)CC1 ZINC000335977035 134031769 /nfs/dbraw/zinc/03/17/69/134031769.db2.gz GUULQVVACIFSCU-LBPRGKRZSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@H](c1cccc(F)c1)N1CCC(CC#N)CC1 ZINC000335978622 134032133 /nfs/dbraw/zinc/03/21/33/134032133.db2.gz POKAVPMXYFWGGX-GFCCVEGCSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@@H](c1cccc(F)c1)N1CCC(CC#N)CC1 ZINC000335978623 134032090 /nfs/dbraw/zinc/03/20/90/134032090.db2.gz POKAVPMXYFWGGX-LBPRGKRZSA-N 0 3 246.329 3.512 20 30 BHEDHN C=C[C@H](C)N[C@@H]1C[C@@H](C)Sc2sccc21 ZINC000336665746 350426853 /nfs/dbraw/zinc/42/68/53/350426853.db2.gz MEMDXQGCIQAXPL-IQJOONFLSA-N 0 3 239.409 3.838 20 30 BHEDHN C=C[C@H](C)N[C@H]1C[C@@H](C)Sc2sccc21 ZINC000336665748 350426990 /nfs/dbraw/zinc/42/69/90/350426990.db2.gz MEMDXQGCIQAXPL-NGZCFLSTSA-N 0 3 239.409 3.838 20 30 BHEDHN C=CCCCN[C@H](C)c1cc(C)c(C)o1 ZINC000336675936 385599338 /nfs/dbraw/zinc/59/93/38/385599338.db2.gz ANAGBYHPPWPFPU-LLVKDONJSA-N 0 3 207.317 3.513 20 30 BHEDHN C=CCCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000336675946 385599830 /nfs/dbraw/zinc/59/98/30/385599830.db2.gz ANAGBYHPPWPFPU-NSHDSACASA-N 0 3 207.317 3.513 20 30 BHEDHN C[C@@H]1c2ccccc2CN1CCCC(C)(C)C#N ZINC000336696322 350451791 /nfs/dbraw/zinc/45/17/91/350451791.db2.gz CPJSUNYYDXMYEY-CYBMUJFWSA-N 0 3 242.366 3.893 20 30 BHEDHN C[C@H]1c2ccccc2CN1CCCC(C)(C)C#N ZINC000336696341 350451528 /nfs/dbraw/zinc/45/15/28/350451528.db2.gz CPJSUNYYDXMYEY-ZDUSSCGKSA-N 0 3 242.366 3.893 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccccc1SC ZINC000336731227 534512936 /nfs/dbraw/zinc/51/29/36/534512936.db2.gz KPCCDJUJWNCZQH-MNOVXSKESA-N 0 3 221.369 3.634 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccccc1SC ZINC000336731228 534669890 /nfs/dbraw/zinc/66/98/90/534669890.db2.gz KPCCDJUJWNCZQH-QWRGUYRKSA-N 0 3 221.369 3.634 20 30 BHEDHN C=CC[C@@H](CC)NCc1ncc(C(C)C)s1 ZINC000336732920 351705450 /nfs/dbraw/zinc/70/54/50/351705450.db2.gz JROXMFCLMIAIIL-LLVKDONJSA-N 0 3 238.400 3.711 20 30 BHEDHN C=CC[C@H](CC)NCc1ncc(C(C)C)s1 ZINC000336732921 351705196 /nfs/dbraw/zinc/70/51/96/351705196.db2.gz JROXMFCLMIAIIL-NSHDSACASA-N 0 3 238.400 3.711 20 30 BHEDHN C=CCCCCCN[C@H](C)c1csc(C)n1 ZINC000336738099 134919813 /nfs/dbraw/zinc/91/98/13/134919813.db2.gz JZHBIBJCWCWUCO-LLVKDONJSA-N 0 3 238.400 3.849 20 30 BHEDHN C=CCCCCCN[C@@H](C)c1csc(C)n1 ZINC000336738100 351981656 /nfs/dbraw/zinc/98/16/56/351981656.db2.gz JZHBIBJCWCWUCO-NSHDSACASA-N 0 3 238.400 3.849 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](C)c1csc(C)n1 ZINC000336739236 534754209 /nfs/dbraw/zinc/75/42/09/534754209.db2.gz LBSCGFMHHGSMSM-GHMZBOCLSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000336739237 534753778 /nfs/dbraw/zinc/75/37/78/534753778.db2.gz LBSCGFMHHGSMSM-MNOVXSKESA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](C)c1csc(C)n1 ZINC000336739238 534761190 /nfs/dbraw/zinc/76/11/90/534761190.db2.gz LBSCGFMHHGSMSM-QWRGUYRKSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000336739239 534761416 /nfs/dbraw/zinc/76/14/16/534761416.db2.gz LBSCGFMHHGSMSM-WDEREUQCSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](C)c1ncc(C)s1 ZINC000336740956 166245709 /nfs/dbraw/zinc/24/57/09/166245709.db2.gz MTGGTDXUHVPRIS-CMPLNLGQSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000336740957 166245295 /nfs/dbraw/zinc/24/52/95/166245295.db2.gz MTGGTDXUHVPRIS-JQWIXIFHSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000336740958 352376437 /nfs/dbraw/zinc/37/64/37/352376437.db2.gz MTGGTDXUHVPRIS-PWSUYJOCSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](C)c1ncc(C)s1 ZINC000336740959 352376816 /nfs/dbraw/zinc/37/68/16/352376816.db2.gz MTGGTDXUHVPRIS-ZYHUDNBSSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCC[C@@H](NCC1(C)CC1)c1ccco1 ZINC000336746610 347163122 /nfs/dbraw/zinc/16/31/22/347163122.db2.gz RNWZXPIWCCPJAG-GFCCVEGCSA-N 0 3 219.328 3.677 20 30 BHEDHN C=CCC[C@H](NCC1(C)CC1)c1ccco1 ZINC000336746611 352740688 /nfs/dbraw/zinc/74/06/88/352740688.db2.gz RNWZXPIWCCPJAG-LBPRGKRZSA-N 0 3 219.328 3.677 20 30 BHEDHN C=CCC[C@H](N[C@H]1CC[C@H]1C)c1ccco1 ZINC000336747432 352750144 /nfs/dbraw/zinc/75/01/44/352750144.db2.gz SCPUVHJBVJRYKO-AGIUHOORSA-N 0 3 219.328 3.675 20 30 BHEDHN C=CCC[C@H](N[C@H]1CC[C@@H]1C)c1ccco1 ZINC000336747433 352749926 /nfs/dbraw/zinc/74/99/26/352749926.db2.gz SCPUVHJBVJRYKO-AVGNSLFASA-N 0 3 219.328 3.675 20 30 BHEDHN C=CCC[C@H](N[C@@H]1CC[C@H]1C)c1ccco1 ZINC000336747434 352750352 /nfs/dbraw/zinc/75/03/52/352750352.db2.gz SCPUVHJBVJRYKO-UPJWGTAASA-N 0 3 219.328 3.675 20 30 BHEDHN C=CCC[C@H](N[C@@H]1CC[C@@H]1C)c1ccco1 ZINC000336747435 352750091 /nfs/dbraw/zinc/75/00/91/352750091.db2.gz SCPUVHJBVJRYKO-XQQFMLRXSA-N 0 3 219.328 3.675 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](CC)c1nccs1 ZINC000336749367 534753751 /nfs/dbraw/zinc/75/37/51/534753751.db2.gz YUNCGQIKHFDOSS-NEPJUHHUSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](CC)c1nccs1 ZINC000336749370 534761644 /nfs/dbraw/zinc/76/16/44/534761644.db2.gz YUNCGQIKHFDOSS-NWDGAFQWSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](CC)c1nccs1 ZINC000336749371 534761073 /nfs/dbraw/zinc/76/10/73/534761073.db2.gz YUNCGQIKHFDOSS-RYUDHWBXSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](CC)c1nccs1 ZINC000336749373 534754432 /nfs/dbraw/zinc/75/44/32/534754432.db2.gz YUNCGQIKHFDOSS-VXGBXAGGSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCC[C@H](NC1CC(C)C1)c1ccco1 ZINC000336778666 353517373 /nfs/dbraw/zinc/51/73/73/353517373.db2.gz LYYYUOFJFQDKLN-BPCQOVAHSA-N 0 3 219.328 3.675 20 30 BHEDHN C=CCC[C@@H](NC1CC(C)C1)c1ccco1 ZINC000336778667 353518602 /nfs/dbraw/zinc/51/86/02/353518602.db2.gz LYYYUOFJFQDKLN-WXRRBKDZSA-N 0 3 219.328 3.675 20 30 BHEDHN C=CC[C@@H](CC)NCc1nc(CCC)cs1 ZINC000336780860 353608170 /nfs/dbraw/zinc/60/81/70/353608170.db2.gz SIMGBLGQKCSBCO-LLVKDONJSA-N 0 3 238.400 3.540 20 30 BHEDHN C=CC[C@H](CC)NCc1nc(CCC)cs1 ZINC000336780861 353607765 /nfs/dbraw/zinc/60/77/65/353607765.db2.gz SIMGBLGQKCSBCO-NSHDSACASA-N 0 3 238.400 3.540 20 30 BHEDHN C=C(C)CN(CC)Cc1cnc2ccccc2c1 ZINC000337126080 135000075 /nfs/dbraw/zinc/00/00/75/135000075.db2.gz FNBUVVGJBGPGGI-UHFFFAOYSA-N 0 3 240.350 3.633 20 30 BHEDHN CC[C@@H]1C[C@]1(NCCCC#N)c1cccc(C)c1 ZINC000337419340 535924151 /nfs/dbraw/zinc/92/41/51/535924151.db2.gz QJXZUTHPETZCTD-GDBMZVCRSA-N 0 3 242.366 3.514 20 30 BHEDHN CC[C@H]1C[C@]1(NCCCC#N)c1cccc(C)c1 ZINC000337419341 135015770 /nfs/dbraw/zinc/01/57/70/135015770.db2.gz QJXZUTHPETZCTD-GOEBONIOSA-N 0 3 242.366 3.514 20 30 BHEDHN CC[C@H]1C[C@@]1(NCCCC#N)c1cccc(C)c1 ZINC000337419342 536172914 /nfs/dbraw/zinc/17/29/14/536172914.db2.gz QJXZUTHPETZCTD-HOCLYGCPSA-N 0 3 242.366 3.514 20 30 BHEDHN CC[C@@H]1C[C@@]1(NCCCC#N)c1cccc(C)c1 ZINC000337419343 135015602 /nfs/dbraw/zinc/01/56/02/135015602.db2.gz QJXZUTHPETZCTD-ZBFHGGJFSA-N 0 3 242.366 3.514 20 30 BHEDHN C=CC[C@@H](C)N[C@@H]1CCc2c1c(F)ccc2F ZINC000337656860 135021378 /nfs/dbraw/zinc/02/13/78/135021378.db2.gz GIFPCMFLAVEFEP-NOZJJQNGSA-N 0 3 237.293 3.506 20 30 BHEDHN C=CC[C@@H](C)N[C@H]1CCc2c1c(F)ccc2F ZINC000337656862 135021157 /nfs/dbraw/zinc/02/11/57/135021157.db2.gz GIFPCMFLAVEFEP-RNCFNFMXSA-N 0 3 237.293 3.506 20 30 BHEDHN C=CC[C@H](C)N[C@@H]1CCc2c1c(F)ccc2F ZINC000337656864 135021160 /nfs/dbraw/zinc/02/11/60/135021160.db2.gz GIFPCMFLAVEFEP-TVQRCGJNSA-N 0 3 237.293 3.506 20 30 BHEDHN C=CC[C@H](C)N[C@H]1CCc2c1c(F)ccc2F 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WEQMRNWBVDBMHB-AWEZNQCLSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCN[C@H](CCC)c1ccc(F)cc1F ZINC000338569761 135040942 /nfs/dbraw/zinc/04/09/42/135040942.db2.gz WEQMRNWBVDBMHB-CQSZACIVSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCCN(C)Cc1ccc(C(C)C)nc1C ZINC000339000648 534708075 /nfs/dbraw/zinc/70/80/75/534708075.db2.gz BTZUJNDQBJPFIM-UHFFFAOYSA-N 0 3 246.398 3.911 20 30 BHEDHN C=C(C)CN(C)Cc1ccc(C(C)C)nc1C ZINC000339078326 135056749 /nfs/dbraw/zinc/05/67/49/135056749.db2.gz RNVCRJDLPYNWTN-UHFFFAOYSA-N 0 3 232.371 3.521 20 30 BHEDHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000339082241 383895040 /nfs/dbraw/zinc/89/50/40/383895040.db2.gz DXKCNBYUFMGNDW-MDZLAQPJSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000339082243 176214459 /nfs/dbraw/zinc/21/44/59/176214459.db2.gz DXKCNBYUFMGNDW-NQBHXWOUSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000339082244 383894240 /nfs/dbraw/zinc/89/42/40/383894240.db2.gz 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222.376 3.581 20 30 BHEDHN CCCCN(CCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000339642876 135076818 /nfs/dbraw/zinc/07/68/18/135076818.db2.gz BZHYIWUDCRGNJQ-ZIAGYGMSSA-N 0 3 222.376 3.581 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000340263459 343708122 /nfs/dbraw/zinc/70/81/22/343708122.db2.gz WEPHGHYLWOPUFU-NEPJUHHUSA-N 0 3 215.340 3.789 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000340263460 343707936 /nfs/dbraw/zinc/70/79/36/343707936.db2.gz WEPHGHYLWOPUFU-NWDGAFQWSA-N 0 3 215.340 3.789 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000340263461 343708180 /nfs/dbraw/zinc/70/81/80/343708180.db2.gz WEPHGHYLWOPUFU-RYUDHWBXSA-N 0 3 215.340 3.789 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000340263462 343707982 /nfs/dbraw/zinc/70/79/82/343707982.db2.gz WEPHGHYLWOPUFU-VXGBXAGGSA-N 0 3 215.340 3.789 20 30 BHEDHN C=CCC[C@H](NCC[C@@H](C)F)c1ccco1 ZINC000340465751 388491096 /nfs/dbraw/zinc/49/10/96/388491096.db2.gz XLRLLOGIRYCZSH-NEPJUHHUSA-N 0 3 225.307 3.625 20 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Cc1ccc([C@@H](C)N(C)CCCC#N)c(C)c1 ZINC000340638931 135206429 /nfs/dbraw/zinc/20/64/29/135206429.db2.gz YOGYXFBACPWLKH-CQSZACIVSA-N 0 3 230.355 3.600 20 30 BHEDHN C=CCCC[C@@H](C)N(C)Cc1ccc(C)o1 ZINC000340766585 135229076 /nfs/dbraw/zinc/22/90/76/135229076.db2.gz ZBMIBYPUOBFBOX-GFCCVEGCSA-N 0 3 221.344 3.765 20 30 BHEDHN C=CCCC[C@H](C)N(C)Cc1ccc(C)o1 ZINC000340766587 135229046 /nfs/dbraw/zinc/22/90/46/135229046.db2.gz ZBMIBYPUOBFBOX-LBPRGKRZSA-N 0 3 221.344 3.765 20 30 BHEDHN C=CCCC[C@H](C)N(C)Cc1cccc(C)n1 ZINC000340833418 135229709 /nfs/dbraw/zinc/22/97/09/135229709.db2.gz MNVBSFFPQVDQPU-AWEZNQCLSA-N 0 3 232.371 3.567 20 30 BHEDHN C=CCCC[C@@H](C)N(C)Cc1cccc(C)n1 ZINC000340833429 135229929 /nfs/dbraw/zinc/22/99/29/135229929.db2.gz MNVBSFFPQVDQPU-CQSZACIVSA-N 0 3 232.371 3.567 20 30 BHEDHN C=CCCC[C@@H](C)N(C)Cc1scnc1C ZINC000340922301 135232083 /nfs/dbraw/zinc/23/20/83/135232083.db2.gz WSFRZDUKZOBVRJ-LLVKDONJSA-N 0 3 238.400 3.628 20 30 BHEDHN C=CCCC[C@H](C)N(C)Cc1scnc1C ZINC000340922320 135232572 /nfs/dbraw/zinc/23/25/72/135232572.db2.gz WSFRZDUKZOBVRJ-NSHDSACASA-N 0 3 238.400 3.628 20 30 BHEDHN C=CCCC[C@@H](C)N(C)Cc1ccoc1C ZINC000340939510 135231340 /nfs/dbraw/zinc/23/13/40/135231340.db2.gz LUGZEBIUAPZYPO-GFCCVEGCSA-N 0 3 221.344 3.765 20 30 BHEDHN C=CCCC[C@H](C)N(C)Cc1ccoc1C ZINC000340939511 135231052 /nfs/dbraw/zinc/23/10/52/135231052.db2.gz LUGZEBIUAPZYPO-LBPRGKRZSA-N 0 3 221.344 3.765 20 30 BHEDHN C=CCCC[C@@H](C)N(C)Cc1cnc(C)s1 ZINC000340944573 135231610 /nfs/dbraw/zinc/23/16/10/135231610.db2.gz AGRNLDCDTBNWPQ-LLVKDONJSA-N 0 3 238.400 3.628 20 30 BHEDHN C=CCCC[C@H](C)N(C)Cc1cnc(C)s1 ZINC000340944574 135231541 /nfs/dbraw/zinc/23/15/41/135231541.db2.gz AGRNLDCDTBNWPQ-NSHDSACASA-N 0 3 238.400 3.628 20 30 BHEDHN CCN(Cc1cccc(C#N)c1F)[C@H](C)C(C)C ZINC000340944929 346616885 /nfs/dbraw/zinc/61/68/85/346616885.db2.gz WWOPYYSCEGLOMA-GFCCVEGCSA-N 0 3 248.345 3.564 20 30 BHEDHN CCN(Cc1cccc(C#N)c1F)[C@@H](C)C(C)C ZINC000340944935 346626075 /nfs/dbraw/zinc/62/60/75/346626075.db2.gz WWOPYYSCEGLOMA-LBPRGKRZSA-N 0 3 248.345 3.564 20 30 BHEDHN C=CCN[C@@H](CCCC)c1ccc(OC)cc1 ZINC000341786190 135243121 /nfs/dbraw/zinc/24/31/21/135243121.db2.gz BWHFWOIBACGDLW-HNNXBMFYSA-N 0 3 233.355 3.702 20 30 BHEDHN C=CCN[C@H](CCCC)c1ccc(OC)cc1 ZINC000341786191 135243490 /nfs/dbraw/zinc/24/34/90/135243490.db2.gz BWHFWOIBACGDLW-OAHLLOKOSA-N 0 3 233.355 3.702 20 30 BHEDHN C=CCCCN[C@@H](CC)c1ccc(F)cc1F ZINC000341847596 135244046 /nfs/dbraw/zinc/24/40/46/135244046.db2.gz PKHQXNGBUDZONE-AWEZNQCLSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCCN[C@H](CC)c1ccc(F)cc1F ZINC000341847598 534736090 /nfs/dbraw/zinc/73/60/90/534736090.db2.gz PKHQXNGBUDZONE-CQSZACIVSA-N 0 3 239.309 3.972 20 30 BHEDHN C=C(CC)CN[C@@H](CC)c1ccc(F)cc1F ZINC000341852532 534419153 /nfs/dbraw/zinc/41/91/53/534419153.db2.gz KUOPCRMLNZQKSL-AWEZNQCLSA-N 0 3 239.309 3.972 20 30 BHEDHN C=C(CC)CN[C@H](CC)c1ccc(F)cc1F ZINC000341852533 534420036 /nfs/dbraw/zinc/42/00/36/534420036.db2.gz KUOPCRMLNZQKSL-CQSZACIVSA-N 0 3 239.309 3.972 20 30 BHEDHN CC(C)CCN(CCC#N)CCC(C)(C)C ZINC000341887176 135243788 /nfs/dbraw/zinc/24/37/88/135243788.db2.gz YBRYCOOFVBDGSS-UHFFFAOYSA-N 0 3 224.392 3.684 20 30 BHEDHN CC(C)(C)CCN(CCC#N)CC(C)(C)C ZINC000341888406 135243973 /nfs/dbraw/zinc/24/39/73/135243973.db2.gz JPTWFBIQBQNVPT-UHFFFAOYSA-N 0 3 224.392 3.684 20 30 BHEDHN C=C(CC)CN[C@@H](CC)c1cc(F)ccc1F ZINC000341977333 534419825 /nfs/dbraw/zinc/41/98/25/534419825.db2.gz BCPJXCFXSWBFEI-AWEZNQCLSA-N 0 3 239.309 3.972 20 30 BHEDHN C=C(CC)CN[C@H](CC)c1cc(F)ccc1F ZINC000341977334 534420562 /nfs/dbraw/zinc/42/05/62/534420562.db2.gz BCPJXCFXSWBFEI-CQSZACIVSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCCN[C@@H](CC)c1cc(F)ccc1F ZINC000341997525 136222624 /nfs/dbraw/zinc/22/26/24/136222624.db2.gz UCMMJOODXFPFKQ-AWEZNQCLSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCCN[C@H](CC)c1cc(F)ccc1F ZINC000341997526 534736303 /nfs/dbraw/zinc/73/63/03/534736303.db2.gz UCMMJOODXFPFKQ-CQSZACIVSA-N 0 3 239.309 3.972 20 30 BHEDHN CC/C=C/CCN(CCC#N)CCC(C)C ZINC000342183202 135250546 /nfs/dbraw/zinc/25/05/46/135250546.db2.gz FCDCNPXPABKHFN-AATRIKPKSA-N 0 3 222.376 3.604 20 30 BHEDHN CC/C=C\CCN(CCC#N)CCC(C)C ZINC000342183203 135250830 /nfs/dbraw/zinc/25/08/30/135250830.db2.gz FCDCNPXPABKHFN-WAYWQWQTSA-N 0 3 222.376 3.604 20 30 BHEDHN CC/C=C\CCN(CCC#N)CC(C)(C)C ZINC000342201213 346557333 /nfs/dbraw/zinc/55/73/33/346557333.db2.gz BNMRGYQXENHUBV-SREVYHEPSA-N 0 3 222.376 3.604 20 30 BHEDHN C=CCN[C@@H](CC(C)C)c1ccccc1OCC ZINC000342230231 135253751 /nfs/dbraw/zinc/25/37/51/135253751.db2.gz MGOPVMUDPBTRCR-HNNXBMFYSA-N 0 3 247.382 3.948 20 30 BHEDHN C=CCN[C@H](CC(C)C)c1ccccc1OCC ZINC000342230241 135253985 /nfs/dbraw/zinc/25/39/85/135253985.db2.gz MGOPVMUDPBTRCR-OAHLLOKOSA-N 0 3 247.382 3.948 20 30 BHEDHN C=C(CC)CN1CCC[C@H]1c1ccc(COC)o1 ZINC000342570028 534388399 /nfs/dbraw/zinc/38/83/99/534388399.db2.gz NZTLHYWRKICAEX-AWEZNQCLSA-N 0 3 249.354 3.529 20 30 BHEDHN C=C(CC)CN1CCC[C@@H]1c1ccc(COC)o1 ZINC000342570029 534385491 /nfs/dbraw/zinc/38/54/91/534385491.db2.gz NZTLHYWRKICAEX-CQSZACIVSA-N 0 3 249.354 3.529 20 30 BHEDHN C[C@H](N[C@H]1CCC1(C)C)c1ccc(C#N)cc1F ZINC000342604195 135301939 /nfs/dbraw/zinc/30/19/39/135301939.db2.gz YPUXFZGXZUZHHY-HZMBPMFUSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@H](N[C@@H]1CCC1(C)C)c1ccc(C#N)cc1F ZINC000342604196 135301620 /nfs/dbraw/zinc/30/16/20/135301620.db2.gz YPUXFZGXZUZHHY-IINYFYTJSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@@H]1CCC1(C)C)c1ccc(C#N)cc1F ZINC000342604197 135301831 /nfs/dbraw/zinc/30/18/31/135301831.db2.gz YPUXFZGXZUZHHY-QMTHXVAHSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@H]1CCC1(C)C)c1ccc(C#N)cc1F ZINC000342604198 135302258 /nfs/dbraw/zinc/30/22/58/135302258.db2.gz YPUXFZGXZUZHHY-YGRLFVJLSA-N 0 3 246.329 3.537 20 30 BHEDHN CCC1CC(N[C@H](CCC#N)c2ccccc2)C1 ZINC000342701328 135306920 /nfs/dbraw/zinc/30/69/20/135306920.db2.gz RXTWJCRCVZAECV-AVVWSFFYSA-N 0 3 242.366 3.810 20 30 BHEDHN CCC1CC(N[C@@H](CCC#N)c2ccccc2)C1 ZINC000342701329 135307274 /nfs/dbraw/zinc/30/72/74/135307274.db2.gz RXTWJCRCVZAECV-BCLQGDPASA-N 0 3 242.366 3.810 20 30 BHEDHN CCCC1CCC(CN(C)[C@@H](C)CC#N)CC1 ZINC000342747242 534917463 /nfs/dbraw/zinc/91/74/63/534917463.db2.gz VTYGLXCQSSDQHX-NFOMZHRRSA-N 0 3 236.403 3.827 20 30 BHEDHN CCCC1CCC(CN(C)[C@H](C)CC#N)CC1 ZINC000342747243 534917058 /nfs/dbraw/zinc/91/70/58/534917058.db2.gz VTYGLXCQSSDQHX-WLYUNCDWSA-N 0 3 236.403 3.827 20 30 BHEDHN CCC1CCC(N(CC2(C#N)CC2)C2CC2)CC1 ZINC000343157351 135362815 /nfs/dbraw/zinc/36/28/15/135362815.db2.gz HCSNTKZZHQGODT-UHFFFAOYSA-N 0 3 246.398 3.723 20 30 BHEDHN N#CC1(CN2CCCC3(C2)CCCCCC3)CC1 ZINC000343313443 353628744 /nfs/dbraw/zinc/62/87/44/353628744.db2.gz ICJCDFYNTJJRGN-UHFFFAOYSA-N 0 3 246.398 3.727 20 30 BHEDHN CC(C)CC[C@@H]1CCCCN1CC1(C#N)CC1 ZINC000343321214 353679199 /nfs/dbraw/zinc/67/91/99/353679199.db2.gz FMKAKJCOASUEPT-AWEZNQCLSA-N 0 3 234.387 3.581 20 30 BHEDHN CC(C)CC[C@H]1CCCCN1CC1(C#N)CC1 ZINC000343321220 353679149 /nfs/dbraw/zinc/67/91/49/353679149.db2.gz FMKAKJCOASUEPT-CQSZACIVSA-N 0 3 234.387 3.581 20 30 BHEDHN C[C@@H]1C[C@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000344088278 354137757 /nfs/dbraw/zinc/13/77/57/354137757.db2.gz QBTYAJJNAOEJBV-DOMZBBRYSA-N 0 3 240.350 3.518 20 30 BHEDHN C[C@@H]1C[C@@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000344088284 354138186 /nfs/dbraw/zinc/13/81/86/354138186.db2.gz QBTYAJJNAOEJBV-IUODEOHRSA-N 0 3 240.350 3.518 20 30 BHEDHN C[C@H]1C[C@@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000344088287 354138033 /nfs/dbraw/zinc/13/80/33/354138033.db2.gz QBTYAJJNAOEJBV-SWLSCSKDSA-N 0 3 240.350 3.518 20 30 BHEDHN C[C@H]1C[C@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000344088289 354137874 /nfs/dbraw/zinc/13/78/74/354137874.db2.gz QBTYAJJNAOEJBV-WFASDCNBSA-N 0 3 240.350 3.518 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000344292740 388505984 /nfs/dbraw/zinc/50/59/84/388505984.db2.gz GJQBEDAHZANZBF-NEPJUHHUSA-N 0 3 236.334 3.616 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000344292741 388506220 /nfs/dbraw/zinc/50/62/20/388506220.db2.gz GJQBEDAHZANZBF-NWDGAFQWSA-N 0 3 236.334 3.616 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000344292742 388506336 /nfs/dbraw/zinc/50/63/36/388506336.db2.gz GJQBEDAHZANZBF-RYUDHWBXSA-N 0 3 236.334 3.616 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000344292743 388505693 /nfs/dbraw/zinc/50/56/93/388505693.db2.gz GJQBEDAHZANZBF-VXGBXAGGSA-N 0 3 236.334 3.616 20 30 BHEDHN CC#CCN[C@@H](CC1CCC1)c1ccccc1 ZINC000344321735 354245911 /nfs/dbraw/zinc/24/59/11/354245911.db2.gz JRHKUGVJYJWPGH-INIZCTEOSA-N 0 3 227.351 3.531 20 30 BHEDHN CC#CCN[C@H](CC1CCC1)c1ccccc1 ZINC000344321736 354246213 /nfs/dbraw/zinc/24/62/13/354246213.db2.gz JRHKUGVJYJWPGH-MRXNPFEDSA-N 0 3 227.351 3.531 20 30 BHEDHN C/C(=C/c1ccc(Cl)cc1)CNCCCC#N ZINC000344324267 354247425 /nfs/dbraw/zinc/24/74/25/354247425.db2.gz KDBPUBLJSKRYNI-BENRWUELSA-N 0 3 248.757 3.637 20 30 BHEDHN C/C(=C\c1ccc(Cl)cc1)CNCCCC#N ZINC000344324273 354247459 /nfs/dbraw/zinc/24/74/59/354247459.db2.gz KDBPUBLJSKRYNI-ZRDIBKRKSA-N 0 3 248.757 3.637 20 30 BHEDHN Cc1ccc(C)c([C@H](C)N(C)CCCC#N)c1 ZINC000346297028 354877933 /nfs/dbraw/zinc/87/79/33/354877933.db2.gz QYEFBXGKOWTBIP-AWEZNQCLSA-N 0 3 230.355 3.600 20 30 BHEDHN Cc1ccc(C)c([C@@H](C)N(C)CCCC#N)c1 ZINC000346297029 354877954 /nfs/dbraw/zinc/87/79/54/354877954.db2.gz QYEFBXGKOWTBIP-CQSZACIVSA-N 0 3 230.355 3.600 20 30 BHEDHN C=C(C)CN(C)Cc1cc(C)c2ncccc2c1 ZINC000346323975 354896496 /nfs/dbraw/zinc/89/64/96/354896496.db2.gz NCGSJWYEHNXCHW-UHFFFAOYSA-N 0 3 240.350 3.551 20 30 BHEDHN CCC1(CC)CCCN(CC2(C#N)CC2)CC1 ZINC000346486503 354958614 /nfs/dbraw/zinc/95/86/14/354958614.db2.gz KXDKXYCAPYRNKT-UHFFFAOYSA-N 0 3 234.387 3.582 20 30 BHEDHN N#CC1(CN2CCCC3(CCCCC3)CC2)CC1 ZINC000346670420 355007359 /nfs/dbraw/zinc/00/73/59/355007359.db2.gz UVMLUJYTGLJSJS-UHFFFAOYSA-N 0 3 246.398 3.727 20 30 BHEDHN CC(C)CN(CCCC#N)Cc1ccccc1F ZINC000346772672 135972737 /nfs/dbraw/zinc/97/27/37/135972737.db2.gz AFHMFXIBRWZBDN-UHFFFAOYSA-N 0 3 248.345 3.587 20 30 BHEDHN C=C(CN[C@H](C)c1cncs1)c1ccccc1 ZINC000346781210 355114905 /nfs/dbraw/zinc/11/49/05/355114905.db2.gz QAHUHFSHAGYZNQ-GFCCVEGCSA-N 0 3 244.363 3.507 20 30 BHEDHN C=C(CN[C@@H](C)c1cncs1)c1ccccc1 ZINC000346781211 355114909 /nfs/dbraw/zinc/11/49/09/355114909.db2.gz QAHUHFSHAGYZNQ-LBPRGKRZSA-N 0 3 244.363 3.507 20 30 BHEDHN CCSc1ccccc1[C@@H](C)NCCCC#N ZINC000346791685 355106785 /nfs/dbraw/zinc/10/67/85/355106785.db2.gz JYFCHAMLNZDESG-GFCCVEGCSA-N 0 3 248.395 3.753 20 30 BHEDHN CCSc1ccccc1[C@H](C)NCCCC#N ZINC000346791687 355106744 /nfs/dbraw/zinc/10/67/44/355106744.db2.gz JYFCHAMLNZDESG-LBPRGKRZSA-N 0 3 248.395 3.753 20 30 BHEDHN C[C@@H](NCCCC#N)c1ccccc1C(C)(C)C ZINC000346806137 355110377 /nfs/dbraw/zinc/11/03/77/355110377.db2.gz JKRDRBRFSMHSEQ-CYBMUJFWSA-N 0 3 244.382 3.938 20 30 BHEDHN C[C@H](NCCCC#N)c1ccccc1C(C)(C)C ZINC000346806139 355110330 /nfs/dbraw/zinc/11/03/30/355110330.db2.gz JKRDRBRFSMHSEQ-ZDUSSCGKSA-N 0 3 244.382 3.938 20 30 BHEDHN C[C@@H](NCCCC#N)c1cc2c(s1)CCCC2 ZINC000346834253 355130675 /nfs/dbraw/zinc/13/06/75/355130675.db2.gz OCQXQSSGOIQMBK-LLVKDONJSA-N 0 3 248.395 3.581 20 30 BHEDHN C[C@H](NCCCC#N)c1cc2c(s1)CCCC2 ZINC000346835005 355130804 /nfs/dbraw/zinc/13/08/04/355130804.db2.gz OCQXQSSGOIQMBK-NSHDSACASA-N 0 3 248.395 3.581 20 30 BHEDHN Cc1cc(CN(C)CCC(C)(C)C#N)ccc1F ZINC000347128167 386238243 /nfs/dbraw/zinc/23/82/43/386238243.db2.gz WLIHOCIKRNKJHC-UHFFFAOYSA-N 0 3 248.345 3.506 20 30 BHEDHN Cc1cc(F)ccc1CN(C)CCC(C)(C)C#N ZINC000347143745 386261048 /nfs/dbraw/zinc/26/10/48/386261048.db2.gz ALSVQXOLXJIUJK-UHFFFAOYSA-N 0 3 248.345 3.506 20 30 BHEDHN N#CC1(CN2CCC[C@H]2CCC2CCCC2)CC1 ZINC000347476924 386435684 /nfs/dbraw/zinc/43/56/84/386435684.db2.gz JRRVJBRONSZXCV-HNNXBMFYSA-N 0 3 246.398 3.725 20 30 BHEDHN N#CC1(CN2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000347476925 386436602 /nfs/dbraw/zinc/43/66/02/386436602.db2.gz JRRVJBRONSZXCV-OAHLLOKOSA-N 0 3 246.398 3.725 20 30 BHEDHN C=CCN(CC=C)Cc1ccc2occc2c1 ZINC000347646275 534829895 /nfs/dbraw/zinc/82/98/95/534829895.db2.gz DWJJOSLGPHANSL-UHFFFAOYSA-N 0 3 227.307 3.607 20 30 BHEDHN C=CCN(Cc1ccccc1)CC1(SC)CC1 ZINC000347650807 136001204 /nfs/dbraw/zinc/00/12/04/136001204.db2.gz ODOUFUUCMCRCII-UHFFFAOYSA-N 0 3 247.407 3.570 20 30 BHEDHN C=CC1CCN(Cc2ccc3occc3c2)CC1 ZINC000347809615 534530072 /nfs/dbraw/zinc/53/00/72/534530072.db2.gz JAHQBCIFRCFESZ-UHFFFAOYSA-N 0 3 241.334 3.831 20 30 BHEDHN C=C(C)CN(C)Cc1cccc(C(F)F)c1 ZINC000348049027 136030472 /nfs/dbraw/zinc/03/04/72/136030472.db2.gz IAXRDCIBMXYQIX-UHFFFAOYSA-N 0 3 225.282 3.632 20 30 BHEDHN C=CCN(Cc1cccc(C(F)F)c1)C1CC1 ZINC000348056159 136031874 /nfs/dbraw/zinc/03/18/74/136031874.db2.gz NUEMOINXERUCSY-UHFFFAOYSA-N 0 3 237.293 3.775 20 30 BHEDHN CCc1ccc([C@@H](C)NCC(C)(C)CCC#N)o1 ZINC000348218230 136046559 /nfs/dbraw/zinc/04/65/59/136046559.db2.gz RFHCNDHNULRKIA-GFCCVEGCSA-N 0 3 248.370 3.823 20 30 BHEDHN CCc1ccc([C@H](C)NCC(C)(C)CCC#N)o1 ZINC000348218231 136046683 /nfs/dbraw/zinc/04/66/83/136046683.db2.gz RFHCNDHNULRKIA-LBPRGKRZSA-N 0 3 248.370 3.823 20 30 BHEDHN Cc1cc([C@@H](C)NCC(C)(C)CCC#N)oc1C ZINC000348228119 136046924 /nfs/dbraw/zinc/04/69/24/136046924.db2.gz OPTBTCCEWHQUGO-GFCCVEGCSA-N 0 3 248.370 3.877 20 30 BHEDHN Cc1cc([C@H](C)NCC(C)(C)CCC#N)oc1C ZINC000348228121 136046904 /nfs/dbraw/zinc/04/69/04/136046904.db2.gz OPTBTCCEWHQUGO-LBPRGKRZSA-N 0 3 248.370 3.877 20 30 BHEDHN C=CCN(Cc1ccc2occc2c1)C1CC1 ZINC000348263770 136058087 /nfs/dbraw/zinc/05/80/87/136058087.db2.gz VGVGHXQHHJTCGJ-UHFFFAOYSA-N 0 3 227.307 3.583 20 30 BHEDHN C=CCC[C@H](N[C@H]1CC[C@@H](F)C1)c1ccco1 ZINC000348317171 136068505 /nfs/dbraw/zinc/06/85/05/136068505.db2.gz JARSHAOAZTWRRP-AGIUHOORSA-N 0 3 237.318 3.767 20 30 BHEDHN C=CCC[C@H](N[C@H]1CC[C@H](F)C1)c1ccco1 ZINC000348317172 136068658 /nfs/dbraw/zinc/06/86/58/136068658.db2.gz JARSHAOAZTWRRP-AVGNSLFASA-N 0 3 237.318 3.767 20 30 BHEDHN C=CCC[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccco1 ZINC000348317174 136068820 /nfs/dbraw/zinc/06/88/20/136068820.db2.gz JARSHAOAZTWRRP-UPJWGTAASA-N 0 3 237.318 3.767 20 30 BHEDHN C=CCC[C@H](N[C@@H]1CC[C@H](F)C1)c1ccco1 ZINC000348317175 136068627 /nfs/dbraw/zinc/06/86/27/136068627.db2.gz JARSHAOAZTWRRP-XQQFMLRXSA-N 0 3 237.318 3.767 20 30 BHEDHN CC[C@H](NCC1(CC#N)CC1)c1ccccc1F ZINC000348409846 535897621 /nfs/dbraw/zinc/89/76/21/535897621.db2.gz UQAVUIBKXLEMTN-AWEZNQCLSA-N 0 3 246.329 3.560 20 30 BHEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccccc1F ZINC000348409847 535803077 /nfs/dbraw/zinc/80/30/77/535803077.db2.gz UQAVUIBKXLEMTN-CQSZACIVSA-N 0 3 246.329 3.560 20 30 BHEDHN CC[C@@H]1CC[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000348414393 535823839 /nfs/dbraw/zinc/82/38/39/535823839.db2.gz ROCXZUQSMMOFAH-BMFZPTHFSA-N 0 3 242.366 3.810 20 30 BHEDHN CC[C@@H]1CC[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000348414397 535824952 /nfs/dbraw/zinc/82/49/52/535824952.db2.gz ROCXZUQSMMOFAH-FVQBIDKESA-N 0 3 242.366 3.810 20 30 BHEDHN CC[C@@H]1CC[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000348414400 535823717 /nfs/dbraw/zinc/82/37/17/535823717.db2.gz ROCXZUQSMMOFAH-KBMXLJTQSA-N 0 3 242.366 3.810 20 30 BHEDHN CC[C@@H]1CC[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000348414404 136077745 /nfs/dbraw/zinc/07/77/45/136077745.db2.gz ROCXZUQSMMOFAH-VNQPRFMTSA-N 0 3 242.366 3.810 20 30 BHEDHN CCC1CCC(N(C)Cc2ccc(C#N)o2)CC1 ZINC000349679777 355409779 /nfs/dbraw/zinc/40/97/79/355409779.db2.gz NTISCGMRJCHNAL-UHFFFAOYSA-N 0 3 246.354 3.552 20 30 BHEDHN Cc1ccc([C@@H](NCCCC#N)C2CCCC2)o1 ZINC000349720036 355418548 /nfs/dbraw/zinc/41/85/48/355418548.db2.gz IEXOJZCTBPFWLV-HNNXBMFYSA-N 0 3 246.354 3.713 20 30 BHEDHN Cc1ccc([C@H](NCCCC#N)C2CCCC2)o1 ZINC000349720037 355418531 /nfs/dbraw/zinc/41/85/31/355418531.db2.gz IEXOJZCTBPFWLV-OAHLLOKOSA-N 0 3 246.354 3.713 20 30 BHEDHN C=CCN(Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000350216992 355650858 /nfs/dbraw/zinc/65/08/58/355650858.db2.gz BFFSNQYWAXUCSX-UHFFFAOYSA-N 0 3 245.297 3.722 20 30 BHEDHN C=CCN(Cc1coc2ccccc12)C1CC1 ZINC000350269216 136357465 /nfs/dbraw/zinc/35/74/65/136357465.db2.gz RGMTWTIXWPLNLF-UHFFFAOYSA-N 0 3 227.307 3.583 20 30 BHEDHN C=CCN(Cc1c(C)oc2ccccc21)C1CC1 ZINC000350312235 355668087 /nfs/dbraw/zinc/66/80/87/355668087.db2.gz ASGMLYKKKSJXKG-UHFFFAOYSA-N 0 3 241.334 3.892 20 30 BHEDHN CCCC1CCC(N(CCC#N)C(C)C)CC1 ZINC000350750839 136362954 /nfs/dbraw/zinc/36/29/54/136362954.db2.gz ZLNOYGJCMHKFOK-UHFFFAOYSA-N 0 3 236.403 3.969 20 30 BHEDHN C=CCN(Cc1conc1C)CC1CCCCC1 ZINC000351590787 356023921 /nfs/dbraw/zinc/02/39/21/356023921.db2.gz YWGYMHSLCJIQQJ-UHFFFAOYSA-N 0 3 248.370 3.551 20 30 BHEDHN C[C@@H](CCC#N)N1CCC(c2ccccc2)CC1 ZINC000351594013 356024935 /nfs/dbraw/zinc/02/49/35/356024935.db2.gz FWMYCGFLQAEDNR-AWEZNQCLSA-N 0 3 242.366 3.558 20 30 BHEDHN C[C@H](CCC#N)N1CCC(c2ccccc2)CC1 ZINC000351594016 356025315 /nfs/dbraw/zinc/02/53/15/356025315.db2.gz FWMYCGFLQAEDNR-CQSZACIVSA-N 0 3 242.366 3.558 20 30 BHEDHN CCN(Cc1ccccc1C)[C@@H](C)CCC#N ZINC000351615218 356029308 /nfs/dbraw/zinc/02/93/08/356029308.db2.gz LJZYFLCZIGYXGH-AWEZNQCLSA-N 0 3 230.355 3.509 20 30 BHEDHN CCN(Cc1ccccc1C)[C@H](C)CCC#N ZINC000351615219 356030164 /nfs/dbraw/zinc/03/01/64/356030164.db2.gz LJZYFLCZIGYXGH-CQSZACIVSA-N 0 3 230.355 3.509 20 30 BHEDHN C=C(C)CCN([C@H](C)c1ccco1)C1CC1 ZINC000351717032 356068646 /nfs/dbraw/zinc/06/86/46/356068646.db2.gz CUTCRGZKDRNRJL-GFCCVEGCSA-N 0 3 219.328 3.771 20 30 BHEDHN C=C(C)CCN([C@@H](C)c1ccco1)C1CC1 ZINC000351717034 356068251 /nfs/dbraw/zinc/06/82/51/356068251.db2.gz CUTCRGZKDRNRJL-LBPRGKRZSA-N 0 3 219.328 3.771 20 30 BHEDHN C=C(C)CCN[C@@H](CC)c1ccc(F)cc1F ZINC000351752093 136251452 /nfs/dbraw/zinc/25/14/52/136251452.db2.gz MRFJJGUEHGDOLQ-AWEZNQCLSA-N 0 3 239.309 3.972 20 30 BHEDHN C=C(C)CCN[C@H](CC)c1ccc(F)cc1F ZINC000351752094 136251358 /nfs/dbraw/zinc/25/13/58/136251358.db2.gz MRFJJGUEHGDOLQ-CQSZACIVSA-N 0 3 239.309 3.972 20 30 BHEDHN C=C(C)CCN1Cc2ccccc2[C@H]1C ZINC000351754158 136251890 /nfs/dbraw/zinc/25/18/90/136251890.db2.gz ZIRYOCJDMYRCGV-GFCCVEGCSA-N 0 3 201.313 3.529 20 30 BHEDHN C=C(C)CCN1Cc2ccccc2[C@@H]1C ZINC000351754159 136252115 /nfs/dbraw/zinc/25/21/15/136252115.db2.gz ZIRYOCJDMYRCGV-LBPRGKRZSA-N 0 3 201.313 3.529 20 30 BHEDHN C=C(C)CCN[C@@H](CC)c1cc(F)ccc1F ZINC000351762445 136253052 /nfs/dbraw/zinc/25/30/52/136253052.db2.gz YXDNHEIOXDDHHQ-AWEZNQCLSA-N 0 3 239.309 3.972 20 30 BHEDHN C=C(C)CCN[C@H](CC)c1cc(F)ccc1F ZINC000351762447 136252915 /nfs/dbraw/zinc/25/29/15/136252915.db2.gz YXDNHEIOXDDHHQ-CQSZACIVSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCCCCN(C)Cc1cccc(C)n1 ZINC000351883534 356129107 /nfs/dbraw/zinc/12/91/07/356129107.db2.gz ACUSAMMCCLBGHA-UHFFFAOYSA-N 0 3 232.371 3.568 20 30 BHEDHN C=C(C)CCN(CCC#N)CC(CC)CC ZINC000352029408 134045127 /nfs/dbraw/zinc/04/51/27/134045127.db2.gz RIBGORVSVGRWFG-UHFFFAOYSA-N 0 3 222.376 3.604 20 30 BHEDHN C=CCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000352246858 534773534 /nfs/dbraw/zinc/77/35/34/534773534.db2.gz JWCZSWJYYHFHJG-DOMZBBRYSA-N 0 3 245.366 3.944 20 30 BHEDHN C=CCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000352246859 534774957 /nfs/dbraw/zinc/77/49/57/534774957.db2.gz JWCZSWJYYHFHJG-IUODEOHRSA-N 0 3 245.366 3.944 20 30 BHEDHN C=CCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000352246860 534773924 /nfs/dbraw/zinc/77/39/24/534773924.db2.gz JWCZSWJYYHFHJG-SWLSCSKDSA-N 0 3 245.366 3.944 20 30 BHEDHN C=CCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000352246861 534773715 /nfs/dbraw/zinc/77/37/15/534773715.db2.gz JWCZSWJYYHFHJG-WFASDCNBSA-N 0 3 245.366 3.944 20 30 BHEDHN C=CCCN(Cc1ccco1)Cc1ccccc1 ZINC000352257471 534774234 /nfs/dbraw/zinc/77/42/34/534774234.db2.gz PACNZCUPQUDLSV-UHFFFAOYSA-N 0 3 241.334 3.858 20 30 BHEDHN C=CC[C@@H]1N(Cc2cc(C)no2)CCCC1(C)C ZINC000352369926 534324128 /nfs/dbraw/zinc/32/41/28/534324128.db2.gz UHQIAQKUCVOILU-AWEZNQCLSA-N 0 3 248.370 3.550 20 30 BHEDHN C=CC[C@H]1N(Cc2cc(C)no2)CCCC1(C)C ZINC000352369927 134141712 /nfs/dbraw/zinc/14/17/12/134141712.db2.gz UHQIAQKUCVOILU-CQSZACIVSA-N 0 3 248.370 3.550 20 30 BHEDHN C=CCN(CCc1ccco1)Cc1ccccc1 ZINC000352699718 134151117 /nfs/dbraw/zinc/15/11/17/134151117.db2.gz CXEWZWGDNTXXPB-UHFFFAOYSA-N 0 3 241.334 3.510 20 30 BHEDHN C=CCN(CCc1ccccc1)Cc1ccco1 ZINC000352756627 134151829 /nfs/dbraw/zinc/15/18/29/134151829.db2.gz BXKQIFGCHOVSBJ-UHFFFAOYSA-N 0 3 241.334 3.510 20 30 BHEDHN CCN(Cc1ccc(C#N)cc1F)[C@H](C)C(C)C ZINC000352804452 169904679 /nfs/dbraw/zinc/90/46/79/169904679.db2.gz QEGDATFRBBBIRU-GFCCVEGCSA-N 0 3 248.345 3.564 20 30 BHEDHN CCN(Cc1ccc(C#N)cc1F)[C@@H](C)C(C)C ZINC000352804465 358425948 /nfs/dbraw/zinc/42/59/48/358425948.db2.gz QEGDATFRBBBIRU-LBPRGKRZSA-N 0 3 248.345 3.564 20 30 BHEDHN C=C(C)CN(CCCC)Cc1cnn(C(C)C)c1 ZINC000352898637 134158235 /nfs/dbraw/zinc/15/82/35/134158235.db2.gz ALMZAIYUIBQFBF-UHFFFAOYSA-N 0 3 249.402 3.642 20 30 BHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)CC ZINC000352899295 134158191 /nfs/dbraw/zinc/15/81/91/134158191.db2.gz CEQKRMGFYNVQCT-AWEZNQCLSA-N 0 3 249.402 3.641 20 30 BHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)CC ZINC000352899302 134158183 /nfs/dbraw/zinc/15/81/83/134158183.db2.gz CEQKRMGFYNVQCT-CQSZACIVSA-N 0 3 249.402 3.641 20 30 BHEDHN C=CCN(CCc1ccco1)Cc1cccs1 ZINC000352973834 134158937 /nfs/dbraw/zinc/15/89/37/134158937.db2.gz DGUVGSAOJHGEPB-UHFFFAOYSA-N 0 3 247.363 3.572 20 30 BHEDHN C=CCN(CCc1ccco1)Cc1ccsc1 ZINC000352973856 134159013 /nfs/dbraw/zinc/15/90/13/134159013.db2.gz DHSDPDOQPYUXIX-UHFFFAOYSA-N 0 3 247.363 3.572 20 30 BHEDHN CCC1(C)CCN(Cc2cc(C#N)cs2)CC1 ZINC000353120147 387676745 /nfs/dbraw/zinc/67/67/45/387676745.db2.gz AFOGNWMBWIEMKA-UHFFFAOYSA-N 0 3 248.395 3.632 20 30 BHEDHN C=C(C)CN(C)Cc1cc2cc(F)ccc2o1 ZINC000353160997 135147986 /nfs/dbraw/zinc/14/79/86/135147986.db2.gz ANFQKMAIVAKQDR-UHFFFAOYSA-N 0 3 233.286 3.580 20 30 BHEDHN C=C(C)CN(C)Cc1c(C)oc2ccccc21 ZINC000353161161 135148391 /nfs/dbraw/zinc/14/83/91/135148391.db2.gz BJHILTGIHPOHJV-UHFFFAOYSA-N 0 3 229.323 3.749 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccsc1C ZINC000353239643 134162671 /nfs/dbraw/zinc/16/26/71/134162671.db2.gz ZTVRBQZLDIOPCP-CYBMUJFWSA-N 0 3 221.369 3.597 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccsc1C ZINC000353239646 534697301 /nfs/dbraw/zinc/69/73/01/534697301.db2.gz ZTVRBQZLDIOPCP-ZDUSSCGKSA-N 0 3 221.369 3.597 20 30 BHEDHN C=C1CCN(Cc2cc(C)sc2C)CC1 ZINC000353307463 134163091 /nfs/dbraw/zinc/16/30/91/134163091.db2.gz KLJHAFBKTPOWTE-UHFFFAOYSA-N 0 3 221.369 3.517 20 30 BHEDHN C=C1CCN(Cc2c(C)oc3ccccc32)CC1 ZINC000353331211 134163563 /nfs/dbraw/zinc/16/35/63/134163563.db2.gz UKECLUVGDBWLEA-UHFFFAOYSA-N 0 3 241.334 3.893 20 30 BHEDHN C=C1CCN(Cc2coc3ccccc23)CC1 ZINC000353332317 135092777 /nfs/dbraw/zinc/09/27/77/135092777.db2.gz PTCWIEHLEQRMNH-UHFFFAOYSA-N 0 3 227.307 3.585 20 30 BHEDHN N#CCCN(CC1CC1)CC1CCCCCC1 ZINC000353418138 136265399 /nfs/dbraw/zinc/26/53/99/136265399.db2.gz ZVNNXBWJIFIVIZ-UHFFFAOYSA-N 0 3 234.387 3.582 20 30 BHEDHN CC(C)CCN(CCC#N)C[C@H]1CC=CCC1 ZINC000353425555 136265329 /nfs/dbraw/zinc/26/53/29/136265329.db2.gz YLLSSEAJBSHYOK-HNNXBMFYSA-N 0 3 234.387 3.604 20 30 BHEDHN CC(C)CCN(CCC#N)C[C@@H]1CC=CCC1 ZINC000353425556 136265514 /nfs/dbraw/zinc/26/55/14/136265514.db2.gz YLLSSEAJBSHYOK-OAHLLOKOSA-N 0 3 234.387 3.604 20 30 BHEDHN C=CCC[C@H](NCCc1ccco1)c1ccco1 ZINC000353432956 136265431 /nfs/dbraw/zinc/26/54/31/136265431.db2.gz DUBBHSXWRPSNFW-AWEZNQCLSA-N 0 3 245.322 3.712 20 30 BHEDHN C=CCC[C@@H](NCCc1ccco1)c1ccco1 ZINC000353432957 534798735 /nfs/dbraw/zinc/79/87/35/534798735.db2.gz DUBBHSXWRPSNFW-CQSZACIVSA-N 0 3 245.322 3.712 20 30 BHEDHN CC(C)(C)[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000353457583 134163851 /nfs/dbraw/zinc/16/38/51/134163851.db2.gz ZTRNQSYPWYRHGB-CYBMUJFWSA-N 0 3 248.395 3.630 20 30 BHEDHN CC(C)(C)[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000353457585 535074799 /nfs/dbraw/zinc/07/47/99/535074799.db2.gz ZTRNQSYPWYRHGB-ZDUSSCGKSA-N 0 3 248.395 3.630 20 30 BHEDHN CC[C@H](NCC1(CC#N)CC1)c1cccc(C)c1 ZINC000353587839 535897942 /nfs/dbraw/zinc/89/79/42/535897942.db2.gz JFRLWWSZIDPOGD-HNNXBMFYSA-N 0 3 242.366 3.730 20 30 BHEDHN CC[C@@H](NCC1(CC#N)CC1)c1cccc(C)c1 ZINC000353587840 535803118 /nfs/dbraw/zinc/80/31/18/535803118.db2.gz JFRLWWSZIDPOGD-OAHLLOKOSA-N 0 3 242.366 3.730 20 30 BHEDHN C=CCC[C@@H](NCC1(CC#N)CC1)c1ccco1 ZINC000353589600 534796734 /nfs/dbraw/zinc/79/67/34/534796734.db2.gz QZLCWQOBSODIPR-CYBMUJFWSA-N 0 3 244.338 3.570 20 30 BHEDHN C=CCC[C@H](NCC1(CC#N)CC1)c1ccco1 ZINC000353589601 134164609 /nfs/dbraw/zinc/16/46/09/134164609.db2.gz QZLCWQOBSODIPR-ZDUSSCGKSA-N 0 3 244.338 3.570 20 30 BHEDHN CCC1(CC)CCN(Cc2cc(C#N)cs2)C1 ZINC000353614601 387818251 /nfs/dbraw/zinc/81/82/51/387818251.db2.gz SSUNJLDAYPTYES-UHFFFAOYSA-N 0 3 248.395 3.632 20 30 BHEDHN C=CCCCCCN(C)Cc1cnccc1C ZINC000353662917 136265638 /nfs/dbraw/zinc/26/56/38/136265638.db2.gz ZYFDMBYYUIDTFQ-UHFFFAOYSA-N 0 3 232.371 3.568 20 30 BHEDHN CC[C@@]1(C)CCCN(Cc2ccccc2C#N)C1 ZINC000353671085 171198904 /nfs/dbraw/zinc/19/89/04/171198904.db2.gz CHTISHBPGGOYDE-INIZCTEOSA-N 0 3 242.366 3.570 20 30 BHEDHN CC[C@]1(C)CCCN(Cc2ccccc2C#N)C1 ZINC000353671086 387829659 /nfs/dbraw/zinc/82/96/59/387829659.db2.gz CHTISHBPGGOYDE-MRXNPFEDSA-N 0 3 242.366 3.570 20 30 BHEDHN CC(C)Cc1cccc([C@H](C)NCCCC#N)c1 ZINC000353676838 136265667 /nfs/dbraw/zinc/26/56/67/136265667.db2.gz XCFBSBQBUNTVOU-AWEZNQCLSA-N 0 3 244.382 3.839 20 30 BHEDHN CC(C)Cc1cccc([C@@H](C)NCCCC#N)c1 ZINC000353676839 136265644 /nfs/dbraw/zinc/26/56/44/136265644.db2.gz XCFBSBQBUNTVOU-CQSZACIVSA-N 0 3 244.382 3.839 20 30 BHEDHN CC[C@@]1(C)CCCN(Cc2cccc(C#N)c2)C1 ZINC000353690455 171198705 /nfs/dbraw/zinc/19/87/05/171198705.db2.gz RNPHTCIGDRYLPA-INIZCTEOSA-N 0 3 242.366 3.570 20 30 BHEDHN CC[C@]1(C)CCCN(Cc2cccc(C#N)c2)C1 ZINC000353690456 387829900 /nfs/dbraw/zinc/82/99/00/387829900.db2.gz RNPHTCIGDRYLPA-MRXNPFEDSA-N 0 3 242.366 3.570 20 30 BHEDHN CC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000353691715 171199304 /nfs/dbraw/zinc/19/93/04/171199304.db2.gz UOJHIIJWMUVCBP-INIZCTEOSA-N 0 3 242.366 3.570 20 30 BHEDHN CC[C@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000353691716 387829087 /nfs/dbraw/zinc/82/90/87/387829087.db2.gz UOJHIIJWMUVCBP-MRXNPFEDSA-N 0 3 242.366 3.570 20 30 BHEDHN C=CCOc1ccccc1CN(CC)C1CCC1 ZINC000353826438 353825331 /nfs/dbraw/zinc/82/53/31/353825331.db2.gz PFRYMVWJEWJIGP-UHFFFAOYSA-N 0 3 245.366 3.626 20 30 BHEDHN C[C@H]1CCC[C@H](C)N(Cc2ccccc2C#N)C1 ZINC000353936504 177130473 /nfs/dbraw/zinc/13/04/73/177130473.db2.gz ZEJZCAZKAZFPTE-KBPBESRZSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@@H]1CCC[C@H](C)N(Cc2ccccc2C#N)C1 ZINC000353936505 177115215 /nfs/dbraw/zinc/11/52/15/177115215.db2.gz ZEJZCAZKAZFPTE-KGLIPLIRSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@@H]1CCC[C@H](C)CN1Cc1ccccc1C#N ZINC000353936506 177115450 /nfs/dbraw/zinc/11/54/50/177115450.db2.gz ZEJZCAZKAZFPTE-UONOGXRCSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@@H]1CCC[C@@H](C)N(Cc2ccccc2C#N)C1 ZINC000353936507 176114260 /nfs/dbraw/zinc/11/42/60/176114260.db2.gz ZEJZCAZKAZFPTE-ZIAGYGMSSA-N 0 3 242.366 3.569 20 30 BHEDHN CN(Cc1ccc(C#N)s1)[C@@H]1CCC(C)(C)C1 ZINC000355580430 388604192 /nfs/dbraw/zinc/60/41/92/388604192.db2.gz IBMPWQBWPGWBHC-LLVKDONJSA-N 0 3 248.395 3.630 20 30 BHEDHN CN(Cc1ccc(C#N)s1)[C@H]1CCC(C)(C)C1 ZINC000355580435 384462389 /nfs/dbraw/zinc/46/23/89/384462389.db2.gz IBMPWQBWPGWBHC-NSHDSACASA-N 0 3 248.395 3.630 20 30 BHEDHN CN(Cc1cc(C#N)cs1)[C@@H]1CCC(C)(C)C1 ZINC000355581770 388603951 /nfs/dbraw/zinc/60/39/51/388603951.db2.gz KPDAOWXYJULMSB-GFCCVEGCSA-N 0 3 248.395 3.630 20 30 BHEDHN CN(Cc1cc(C#N)cs1)[C@H]1CCC(C)(C)C1 ZINC000355581772 388604021 /nfs/dbraw/zinc/60/40/21/388604021.db2.gz KPDAOWXYJULMSB-LBPRGKRZSA-N 0 3 248.395 3.630 20 30 BHEDHN CN(Cc1ccccc1C#N)[C@H]1CCC(C)(C)C1 ZINC000355588712 388603937 /nfs/dbraw/zinc/60/39/37/388603937.db2.gz XTGGIYJYVMHKLA-HNNXBMFYSA-N 0 3 242.366 3.569 20 30 BHEDHN CN(Cc1ccccc1C#N)[C@@H]1CCC(C)(C)C1 ZINC000355588713 388604130 /nfs/dbraw/zinc/60/41/30/388604130.db2.gz XTGGIYJYVMHKLA-OAHLLOKOSA-N 0 3 242.366 3.569 20 30 BHEDHN C[C@H](NCCCC#N)c1cc2cccc(F)c2o1 ZINC000355727475 134174752 /nfs/dbraw/zinc/17/47/52/134174752.db2.gz CADFAJCCEZMKBB-JTQLQIEISA-N 0 3 246.285 3.526 20 30 BHEDHN C[C@@H](NCCCC#N)c1cc2cccc(F)c2o1 ZINC000355727479 134174728 /nfs/dbraw/zinc/17/47/28/134174728.db2.gz CADFAJCCEZMKBB-SNVBAGLBSA-N 0 3 246.285 3.526 20 30 BHEDHN CC1=C[C@H](C)C[C@H](CN(CCC#N)CC2CC2)C1 ZINC000356199573 168130144 /nfs/dbraw/zinc/13/01/44/168130144.db2.gz ZANMNQOBIMCIPI-BBRMVZONSA-N 0 3 246.398 3.604 20 30 BHEDHN CC1=C[C@@H](C)C[C@H](CN(CCC#N)CC2CC2)C1 ZINC000356199574 135045468 /nfs/dbraw/zinc/04/54/68/135045468.db2.gz ZANMNQOBIMCIPI-CJNGLKHVSA-N 0 3 246.398 3.604 20 30 BHEDHN CC1=C[C@@H](C)C[C@@H](CN(CCC#N)CC2CC2)C1 ZINC000356199591 135045648 /nfs/dbraw/zinc/04/56/48/135045648.db2.gz ZANMNQOBIMCIPI-CZUORRHYSA-N 0 3 246.398 3.604 20 30 BHEDHN CC1=C[C@H](C)C[C@@H](CN(CCC#N)CC2CC2)C1 ZINC000356199600 135045205 /nfs/dbraw/zinc/04/52/05/135045205.db2.gz ZANMNQOBIMCIPI-XJKSGUPXSA-N 0 3 246.398 3.604 20 30 BHEDHN C=CCCN(C)Cc1cscc1C(F)(F)F ZINC000356393056 134177931 /nfs/dbraw/zinc/17/79/31/134177931.db2.gz KOYHBZNDJUPOLB-UHFFFAOYSA-N 0 3 249.301 3.775 20 30 BHEDHN CC1(C#N)CCN(CCCC2CCCC2)CC1 ZINC000356442720 535275560 /nfs/dbraw/zinc/27/55/60/535275560.db2.gz BPHNFPQSSQREBP-UHFFFAOYSA-N 0 3 234.387 3.582 20 30 BHEDHN N#CCCCNC1c2ccccc2-c2ccccc21 ZINC000357135365 134182404 /nfs/dbraw/zinc/18/24/04/134182404.db2.gz HCHRTYQUMNZLKL-UHFFFAOYSA-N 0 3 248.329 3.650 20 30 BHEDHN C=CCN(Cc1cc(C)sc1C)C1CC1 ZINC000357526887 134183626 /nfs/dbraw/zinc/18/36/26/134183626.db2.gz GXIPXJVQZWXZBZ-UHFFFAOYSA-N 0 3 221.369 3.515 20 30 BHEDHN C=CCN(Cc1cc2ccccc2o1)C1CC1 ZINC000357530764 134183805 /nfs/dbraw/zinc/18/38/05/134183805.db2.gz NDLMFUSMOYLWQZ-UHFFFAOYSA-N 0 3 227.307 3.583 20 30 BHEDHN C=CCN(Cc1ccc(SC)cc1)C1CC1 ZINC000357548159 134184149 /nfs/dbraw/zinc/18/41/49/134184149.db2.gz AULVFLFHMKSHIK-UHFFFAOYSA-N 0 3 233.380 3.559 20 30 BHEDHN N#CCCN(CCC1CCCCC1)CC1CC1 ZINC000357963838 134186421 /nfs/dbraw/zinc/18/64/21/134186421.db2.gz RGJAEJPYKHSPIY-UHFFFAOYSA-N 0 3 234.387 3.582 20 30 BHEDHN C=C1CCN(Cc2ccccc2SC)CC1 ZINC000358038538 134186632 /nfs/dbraw/zinc/18/66/32/134186632.db2.gz GWQIUOLLOMZQLJ-UHFFFAOYSA-N 0 3 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C=C[C@H](C)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000358317653 534668632 /nfs/dbraw/zinc/66/86/32/534668632.db2.gz LDYUWIMGGCBSMI-GXTWGEPZSA-N 0 3 243.350 3.597 20 30 BHEDHN C=C[C@H](C)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000358317655 134187753 /nfs/dbraw/zinc/18/77/53/134187753.db2.gz LDYUWIMGGCBSMI-JSGCOSHPSA-N 0 3 243.350 3.597 20 30 BHEDHN C=C[C@@H](C)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000358317656 534512385 /nfs/dbraw/zinc/51/23/85/534512385.db2.gz LDYUWIMGGCBSMI-OCCSQVGLSA-N 0 3 243.350 3.597 20 30 BHEDHN C=C[C@@H](C)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000358317657 534512522 /nfs/dbraw/zinc/51/25/22/534512522.db2.gz LDYUWIMGGCBSMI-TZMCWYRMSA-N 0 3 243.350 3.597 20 30 BHEDHN C=C(CC)CN(C)[C@H](C)c1sc(C)nc1C ZINC000358507913 534375529 /nfs/dbraw/zinc/37/55/29/534375529.db2.gz LEQGWOGQQBIWKG-LLVKDONJSA-N 0 3 238.400 3.719 20 30 BHEDHN C=C(CC)CN(C)[C@@H](C)c1sc(C)nc1C ZINC000358507921 534373585 /nfs/dbraw/zinc/37/35/85/534373585.db2.gz LEQGWOGQQBIWKG-NSHDSACASA-N 0 3 238.400 3.719 20 30 BHEDHN C=C(CC)CN1Cc2ccccc2[C@H]1C ZINC000358512454 534402351 /nfs/dbraw/zinc/40/23/51/534402351.db2.gz SVLMQGNAWBCWDY-GFCCVEGCSA-N 0 3 201.313 3.529 20 30 BHEDHN C=C(CC)CN1Cc2ccccc2[C@@H]1C ZINC000358512457 534401040 /nfs/dbraw/zinc/40/10/40/534401040.db2.gz SVLMQGNAWBCWDY-LBPRGKRZSA-N 0 3 201.313 3.529 20 30 BHEDHN CCC1(CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358556419 388623234 /nfs/dbraw/zinc/62/32/34/388623234.db2.gz BBJYAAHEGLXBFU-LLVKDONJSA-N 0 3 246.329 3.538 20 30 BHEDHN CCC1(CN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358556431 388622641 /nfs/dbraw/zinc/62/26/41/388622641.db2.gz BBJYAAHEGLXBFU-NSHDSACASA-N 0 3 246.329 3.538 20 30 BHEDHN C[C@@H](NCC1(C)CCC1)c1ccc(C#N)cc1F ZINC000358574021 386706395 /nfs/dbraw/zinc/70/63/95/386706395.db2.gz RKVPINMEVNGVPS-LLVKDONJSA-N 0 3 246.329 3.538 20 30 BHEDHN C[C@H](NCC1(C)CCC1)c1ccc(C#N)cc1F ZINC000358574023 398174632 /nfs/dbraw/zinc/17/46/32/398174632.db2.gz RKVPINMEVNGVPS-NSHDSACASA-N 0 3 246.329 3.538 20 30 BHEDHN C[C@H](CC1CC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358592129 176613453 /nfs/dbraw/zinc/61/34/53/176613453.db2.gz PNPRFZUJKGRWNM-GHMZBOCLSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@H](CC1CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358592130 388624380 /nfs/dbraw/zinc/62/43/80/388624380.db2.gz PNPRFZUJKGRWNM-MNOVXSKESA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](CC1CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358592131 388624662 /nfs/dbraw/zinc/62/46/62/388624662.db2.gz PNPRFZUJKGRWNM-QWRGUYRKSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@@H](C)CC1CC1)c1ccc(C#N)cc1F ZINC000358592132 388624328 /nfs/dbraw/zinc/62/43/28/388624328.db2.gz PNPRFZUJKGRWNM-WDEREUQCSA-N 0 3 246.329 3.537 20 30 BHEDHN C=C(CC)CN1CCC[C@@H]1c1ccsc1 ZINC000358622011 534388503 /nfs/dbraw/zinc/38/85/03/534388503.db2.gz AHHSEEZNSWLXAZ-CYBMUJFWSA-N 0 3 221.369 3.851 20 30 BHEDHN C=C(CC)CN1CCC[C@H]1c1ccsc1 ZINC000358622013 534388683 /nfs/dbraw/zinc/38/86/83/534388683.db2.gz AHHSEEZNSWLXAZ-ZDUSSCGKSA-N 0 3 221.369 3.851 20 30 BHEDHN C=C(CC)CN(CC)Cc1cccs1 ZINC000358623584 534374782 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134204943 /nfs/dbraw/zinc/20/49/43/134204943.db2.gz DVOJLDASNZAURM-AWEZNQCLSA-N 0 3 232.371 3.567 20 30 BHEDHN C=CCCC[C@@H](C)N(C)Cc1cnccc1C ZINC000361421049 134204982 /nfs/dbraw/zinc/20/49/82/134204982.db2.gz DVOJLDASNZAURM-CQSZACIVSA-N 0 3 232.371 3.567 20 30 BHEDHN Cc1ccc2c(c1)CN(CCCC(C)(C)C#N)C2 ZINC000361592923 136268573 /nfs/dbraw/zinc/26/85/73/136268573.db2.gz FXSAARXJDBRDIK-UHFFFAOYSA-N 0 3 242.366 3.641 20 30 BHEDHN CCCC1CCC(N(C)CC2(C#N)CC2)CC1 ZINC000362163593 534925027 /nfs/dbraw/zinc/92/50/27/534925027.db2.gz POGSGORXSRAOKW-UHFFFAOYSA-N 0 3 234.387 3.581 20 30 BHEDHN C=CCCCN(CCC#N)CC(CC)CC ZINC000362181224 136268807 /nfs/dbraw/zinc/26/88/07/136268807.db2.gz KRWCSIDYFUYSQE-UHFFFAOYSA-N 0 3 222.376 3.604 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000362276560 534419739 /nfs/dbraw/zinc/41/97/39/534419739.db2.gz HNRCGMZSALMLRX-GFCCVEGCSA-N 0 3 249.402 3.563 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000362276569 534417350 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MJXBHBDHIPSOPL-UHFFFAOYSA-N 0 3 221.344 3.766 20 30 BHEDHN N#Cc1ccc(CN2CCCC23CCCC3)s1 ZINC000365529953 350330580 /nfs/dbraw/zinc/33/05/80/350330580.db2.gz SNKBYVAQKJTBDV-UHFFFAOYSA-N 0 3 246.379 3.528 20 30 BHEDHN CCCCCCCN1CCC[C@H]1c1nccn1C ZINC000368403434 534986231 /nfs/dbraw/zinc/98/62/31/534986231.db2.gz RCSDSGYPKBPUBC-AWEZNQCLSA-N 0 3 249.402 3.527 20 30 BHEDHN CCCCCCCN1CCC[C@@H]1c1nccn1C ZINC000368403435 534986179 /nfs/dbraw/zinc/98/61/79/534986179.db2.gz RCSDSGYPKBPUBC-CQSZACIVSA-N 0 3 249.402 3.527 20 30 BHEDHN N#Cc1ccc(CN2CCC23CCCCC3)s1 ZINC000369325949 388685517 /nfs/dbraw/zinc/68/55/17/388685517.db2.gz BLDAAFDBDPOUQU-UHFFFAOYSA-N 0 3 246.379 3.528 20 30 BHEDHN CC(C)(C#N)CCN1CCCC[C@@H]1c1ccco1 ZINC000371207578 534985705 /nfs/dbraw/zinc/98/57/05/534985705.db2.gz LDAZJIDKQXOTTG-CYBMUJFWSA-N 0 3 246.354 3.746 20 30 BHEDHN CC(C)(C#N)CCN1CCCC[C@H]1c1ccco1 ZINC000371207579 534985633 /nfs/dbraw/zinc/98/56/33/534985633.db2.gz LDAZJIDKQXOTTG-ZDUSSCGKSA-N 0 3 246.354 3.746 20 30 BHEDHN N#CCCCN1CCC[C@H]1/C=C/c1cccs1 ZINC000372025139 134230224 /nfs/dbraw/zinc/23/02/24/134230224.db2.gz JMAPJLDJMPLVBN-GWJCSSMESA-N 0 3 246.379 3.529 20 30 BHEDHN N#CCCCN1CCC[C@@H]1/C=C/c1cccs1 ZINC000372025142 134230057 /nfs/dbraw/zinc/23/00/57/134230057.db2.gz JMAPJLDJMPLVBN-SBDDDAINSA-N 0 3 246.379 3.529 20 30 BHEDHN C[C@@H]1C[C@H](c2ccccc2)CCN1CCCC#N ZINC000374174069 134236168 /nfs/dbraw/zinc/23/61/68/134236168.db2.gz IMACMZCZDFNEBX-GDBMZVCRSA-N 0 3 242.366 3.558 20 30 BHEDHN C[C@H]1C[C@H](c2ccccc2)CCN1CCCC#N ZINC000374174072 134236015 /nfs/dbraw/zinc/23/60/15/134236015.db2.gz IMACMZCZDFNEBX-GOEBONIOSA-N 0 3 242.366 3.558 20 30 BHEDHN C[C@H]1C[C@@H](c2ccccc2)CCN1CCCC#N ZINC000374174073 134236081 /nfs/dbraw/zinc/23/60/81/134236081.db2.gz IMACMZCZDFNEBX-HOCLYGCPSA-N 0 3 242.366 3.558 20 30 BHEDHN C[C@@H]1C[C@@H](c2ccccc2)CCN1CCCC#N ZINC000374174074 134235975 /nfs/dbraw/zinc/23/59/75/134235975.db2.gz IMACMZCZDFNEBX-ZBFHGGJFSA-N 0 3 242.366 3.558 20 30 BHEDHN C=C(C)CNCc1ccc(C2CCC2)cc1 ZINC000378849222 346846831 /nfs/dbraw/zinc/84/68/31/346846831.db2.gz CQKDEHMEHIWXKO-UHFFFAOYSA-N 0 3 215.340 3.620 20 30 BHEDHN C=CC[C@H](CC)NCc1cscc1Cl ZINC000379547009 538978366 /nfs/dbraw/zinc/97/83/66/538978366.db2.gz XPXMROKCPOOMHN-JTQLQIEISA-N 0 3 229.776 3.846 20 30 BHEDHN C=CC[C@@H](CC)NCc1cscc1Cl ZINC000379547010 538978414 /nfs/dbraw/zinc/97/84/14/538978414.db2.gz XPXMROKCPOOMHN-SNVBAGLBSA-N 0 3 229.776 3.846 20 30 BHEDHN C[C@@H](NCC1=CCCCC1)c1cccc(C#N)c1 ZINC000379577712 343579168 /nfs/dbraw/zinc/57/91/68/343579168.db2.gz CPXBADYDAPVPDR-CYBMUJFWSA-N 0 3 240.350 3.709 20 30 BHEDHN C[C@H](NCC1=CCCCC1)c1cccc(C#N)c1 ZINC000379577715 343579171 /nfs/dbraw/zinc/57/91/71/343579171.db2.gz CPXBADYDAPVPDR-ZDUSSCGKSA-N 0 3 240.350 3.709 20 30 BHEDHN C[C@@H](NCC1=CCCCC1)c1ccc(C#N)cc1 ZINC000379579910 343579149 /nfs/dbraw/zinc/57/91/49/343579149.db2.gz IGOWAHJRGUEIPM-CYBMUJFWSA-N 0 3 240.350 3.709 20 30 BHEDHN C[C@H](NCC1=CCCCC1)c1ccc(C#N)cc1 ZINC000379579912 343579268 /nfs/dbraw/zinc/57/92/68/343579268.db2.gz IGOWAHJRGUEIPM-ZDUSSCGKSA-N 0 3 240.350 3.709 20 30 BHEDHN C=CC[C@H](CC)NCc1ccsc1Cl ZINC000379596421 359558234 /nfs/dbraw/zinc/55/82/34/359558234.db2.gz FPPXCUGHAALCIF-JTQLQIEISA-N 0 3 229.776 3.846 20 30 BHEDHN C=CC[C@@H](CC)NCc1ccsc1Cl ZINC000379596425 359558191 /nfs/dbraw/zinc/55/81/91/359558191.db2.gz FPPXCUGHAALCIF-SNVBAGLBSA-N 0 3 229.776 3.846 20 30 BHEDHN C=CCCCCNCc1cc(F)c(F)cc1F ZINC000379769830 364824531 /nfs/dbraw/zinc/82/45/31/364824531.db2.gz PLRHQLSFQCKXDA-UHFFFAOYSA-N 0 3 243.272 3.550 20 30 BHEDHN CC1(C#N)CCN([C@H]2C=CCCCCC2)CC1 ZINC000379792952 373063172 /nfs/dbraw/zinc/06/31/72/373063172.db2.gz CCHOVYCOMKFBDU-AWEZNQCLSA-N 0 3 232.371 3.501 20 30 BHEDHN CC1(C#N)CCN([C@@H]2C=CCCCCC2)CC1 ZINC000379792960 373063452 /nfs/dbraw/zinc/06/34/52/373063452.db2.gz CCHOVYCOMKFBDU-CQSZACIVSA-N 0 3 232.371 3.501 20 30 BHEDHN C=CCCCNCc1cc(Cl)ccc1F ZINC000379824661 365283098 /nfs/dbraw/zinc/28/30/98/365283098.db2.gz VLYOZKUFDNYTBW-UHFFFAOYSA-N 0 3 227.710 3.535 20 30 BHEDHN C=CCCCNCc1cccc(Cl)c1F ZINC000379917910 365704122 /nfs/dbraw/zinc/70/41/22/365704122.db2.gz QHZRDOHZDJWUOV-UHFFFAOYSA-N 0 3 227.710 3.535 20 30 BHEDHN C=CCC(C)(C)CN[C@H](C)c1ccc(C)o1 ZINC000379937791 365749112 /nfs/dbraw/zinc/74/91/12/365749112.db2.gz WMAFDWMEUWHIGT-GFCCVEGCSA-N 0 3 221.344 3.841 20 30 BHEDHN C=CCC(C)(C)CN[C@@H](C)c1ccc(C)o1 ZINC000379937799 365748479 /nfs/dbraw/zinc/74/84/79/365748479.db2.gz WMAFDWMEUWHIGT-LBPRGKRZSA-N 0 3 221.344 3.841 20 30 BHEDHN C=CCNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000379977476 365773400 /nfs/dbraw/zinc/77/34/00/365773400.db2.gz FFXGSJPSADWEGF-UHFFFAOYSA-N 0 3 242.149 3.758 20 30 BHEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(C)s1 ZINC000380064090 712684498 /nfs/dbraw/zinc/68/44/98/712684498.db2.gz BPVHFHPXWIGFIQ-CMPLNLGQSA-N 0 3 221.369 3.509 20 30 BHEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000380064095 712684532 /nfs/dbraw/zinc/68/45/32/712684532.db2.gz BPVHFHPXWIGFIQ-JQWIXIFHSA-N 0 3 221.369 3.509 20 30 BHEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000380064100 712684508 /nfs/dbraw/zinc/68/45/08/712684508.db2.gz BPVHFHPXWIGFIQ-PWSUYJOCSA-N 0 3 221.369 3.509 20 30 BHEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(C)s1 ZINC000380064110 712684510 /nfs/dbraw/zinc/68/45/10/712684510.db2.gz BPVHFHPXWIGFIQ-ZYHUDNBSSA-N 0 3 221.369 3.509 20 30 BHEDHN C=CCN[C@@H](c1ccccc1Cl)C(C)C ZINC000380064871 365837601 /nfs/dbraw/zinc/83/76/01/365837601.db2.gz BUCKMBNGTCWHPY-CYBMUJFWSA-N 0 3 223.747 3.813 20 30 BHEDHN C=CCN[C@H](c1ccccc1Cl)C(C)C ZINC000380064874 365836956 /nfs/dbraw/zinc/83/69/56/365836956.db2.gz BUCKMBNGTCWHPY-ZDUSSCGKSA-N 0 3 223.747 3.813 20 30 BHEDHN C=CCC(C)(C)CNCc1ccc(CC)o1 ZINC000380161497 346204673 /nfs/dbraw/zinc/20/46/73/346204673.db2.gz UYUDDKGHFCPANT-UHFFFAOYSA-N 0 3 221.344 3.534 20 30 BHEDHN C=CCCCCCCNCc1nc(C)cs1 ZINC000380550860 712901730 /nfs/dbraw/zinc/90/17/30/712901730.db2.gz JUIZQUOWGVLIKL-UHFFFAOYSA-N 0 3 238.400 3.678 20 30 BHEDHN C=CCCCCN[C@@H](C)c1nc(C)sc1C ZINC000380569242 538990880 /nfs/dbraw/zinc/99/08/80/538990880.db2.gz NYRSUGLLJNHHGW-JTQLQIEISA-N 0 3 238.400 3.767 20 30 BHEDHN C=CCCCCN[C@H](C)c1nc(C)sc1C ZINC000380569326 538991019 /nfs/dbraw/zinc/99/10/19/538991019.db2.gz NYRSUGLLJNHHGW-SNVBAGLBSA-N 0 3 238.400 3.767 20 30 BHEDHN C=CCCCCCCNCc1csc(C)n1 ZINC000380593024 712901941 /nfs/dbraw/zinc/90/19/41/712901941.db2.gz SQYJQKVDTUQPRW-UHFFFAOYSA-N 0 3 238.400 3.678 20 30 BHEDHN C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000380992533 710597322 /nfs/dbraw/zinc/59/73/22/710597322.db2.gz FMHGDTSQCZYSLY-CYBMUJFWSA-N 0 3 247.382 3.954 20 30 BHEDHN C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000380992534 710597726 /nfs/dbraw/zinc/59/77/26/710597726.db2.gz FMHGDTSQCZYSLY-ZDUSSCGKSA-N 0 3 247.382 3.954 20 30 BHEDHN C=CCOCCN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000381028321 367338089 /nfs/dbraw/zinc/33/80/89/367338089.db2.gz IKWQMNMAHKEJCG-AWEZNQCLSA-N 0 3 247.382 3.663 20 30 BHEDHN C=CCOCCN[C@H](C)c1ccc(C(C)C)cc1 ZINC000381028324 367338148 /nfs/dbraw/zinc/33/81/48/367338148.db2.gz IKWQMNMAHKEJCG-CQSZACIVSA-N 0 3 247.382 3.663 20 30 BHEDHN C=CCC[C@H](C)NCc1ccc(Cl)cc1F ZINC000381037831 343842438 /nfs/dbraw/zinc/84/24/38/343842438.db2.gz BPERUXDCLPCULG-JTQLQIEISA-N 0 3 241.737 3.923 20 30 BHEDHN C=CCC[C@@H](C)NCc1ccc(Cl)cc1F ZINC000381037833 343842337 /nfs/dbraw/zinc/84/23/37/343842337.db2.gz BPERUXDCLPCULG-SNVBAGLBSA-N 0 3 241.737 3.923 20 30 BHEDHN C=C(CNCc1csc(C)c1)c1ccccc1 ZINC000381151128 367356157 /nfs/dbraw/zinc/35/61/57/367356157.db2.gz LPAAGGAGXMFQOC-UHFFFAOYSA-N 0 3 243.375 3.860 20 30 BHEDHN CCCC[C@@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000381182193 344483030 /nfs/dbraw/zinc/48/30/30/344483030.db2.gz RTVYSGBCHPBCJM-GFCCVEGCSA-N 0 3 248.345 3.708 20 30 BHEDHN CCCC[C@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000381182207 344483002 /nfs/dbraw/zinc/48/30/02/344483002.db2.gz RTVYSGBCHPBCJM-LBPRGKRZSA-N 0 3 248.345 3.708 20 30 BHEDHN C=CCCCCCCCNCc1nccs1 ZINC000381255790 710612700 /nfs/dbraw/zinc/61/27/00/710612700.db2.gz QTAPTEYBPWJDAH-UHFFFAOYSA-N 0 3 238.400 3.759 20 30 BHEDHN C=C(C)CCN[C@@H](C)c1ccc(F)cc1F ZINC000381295566 367376225 /nfs/dbraw/zinc/37/62/25/367376225.db2.gz GFLZWCBJZWUKHX-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCCCN[C@H](C)c1cc(C)c(C)o1 ZINC000381308222 367378325 /nfs/dbraw/zinc/37/83/25/367378325.db2.gz KOLOAPHPIZIFQP-GFCCVEGCSA-N 0 3 221.344 3.903 20 30 BHEDHN C=CCCCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000381308225 367378010 /nfs/dbraw/zinc/37/80/10/367378010.db2.gz KOLOAPHPIZIFQP-LBPRGKRZSA-N 0 3 221.344 3.903 20 30 BHEDHN C=CC[C@@H](CC)NCc1ccc(F)cc1Cl ZINC000381333563 367382632 /nfs/dbraw/zinc/38/26/32/367382632.db2.gz UVZXLRNEIALXHP-GFCCVEGCSA-N 0 3 241.737 3.923 20 30 BHEDHN C=CC[C@H](CC)NCc1ccc(F)cc1Cl ZINC000381333570 367383086 /nfs/dbraw/zinc/38/30/86/367383086.db2.gz UVZXLRNEIALXHP-LBPRGKRZSA-N 0 3 241.737 3.923 20 30 BHEDHN C=CC[C@@H](CC)NCc1cccc(Cl)c1F ZINC000381337909 367383221 /nfs/dbraw/zinc/38/32/21/367383221.db2.gz WLSNLUMNAFTQRK-LLVKDONJSA-N 0 3 241.737 3.923 20 30 BHEDHN C=CC[C@H](CC)NCc1cccc(Cl)c1F ZINC000381337910 345389340 /nfs/dbraw/zinc/38/93/40/345389340.db2.gz WLSNLUMNAFTQRK-NSHDSACASA-N 0 3 241.737 3.923 20 30 BHEDHN C=CC[C@@H](CC)NCc1cc(Cl)ccc1F ZINC000381344400 345422583 /nfs/dbraw/zinc/42/25/83/345422583.db2.gz YKWFJMWCPNMQQO-GFCCVEGCSA-N 0 3 241.737 3.923 20 30 BHEDHN C=CC[C@H](CC)NCc1cc(Cl)ccc1F ZINC000381344401 345422606 /nfs/dbraw/zinc/42/26/06/345422606.db2.gz YKWFJMWCPNMQQO-LBPRGKRZSA-N 0 3 241.737 3.923 20 30 BHEDHN CCCCCCC[C@@H](C)NCC1(C#N)CC1 ZINC000381352630 710626517 /nfs/dbraw/zinc/62/65/17/710626517.db2.gz CEBZSOHQFUWOQS-CYBMUJFWSA-N 0 3 222.376 3.629 20 30 BHEDHN CCCCCCC[C@H](C)NCC1(C#N)CC1 ZINC000381352639 710626199 /nfs/dbraw/zinc/62/61/99/710626199.db2.gz CEBZSOHQFUWOQS-ZDUSSCGKSA-N 0 3 222.376 3.629 20 30 BHEDHN C=CCSCCN[C@H](C)c1csc(C)c1 ZINC000381357593 398252861 /nfs/dbraw/zinc/25/28/61/398252861.db2.gz JLIOVRMEODOHSZ-LLVKDONJSA-N 0 3 241.425 3.626 20 30 BHEDHN CCCC[C@@H]1CCC[C@@H]1N[C@H](CC)CC#N ZINC000381377223 356680615 /nfs/dbraw/zinc/68/06/15/356680615.db2.gz KCTWQNZHEMMOLN-MCIONIFRSA-N 0 3 222.376 3.627 20 30 BHEDHN CCCC[C@@H]1CCC[C@H]1N[C@H](CC)CC#N ZINC000381377230 367390417 /nfs/dbraw/zinc/39/04/17/367390417.db2.gz KCTWQNZHEMMOLN-MGPQQGTHSA-N 0 3 222.376 3.627 20 30 BHEDHN C#C[C@H](NC1CCCC1)c1ccc(Cl)cc1 ZINC000381400501 710633408 /nfs/dbraw/zinc/63/34/08/710633408.db2.gz ACDCTCPUJUIDLR-AWEZNQCLSA-N 0 3 233.742 3.547 20 30 BHEDHN C#C[C@@H](NC1CCCC1)c1ccc(Cl)cc1 ZINC000381400502 710632626 /nfs/dbraw/zinc/63/26/26/710632626.db2.gz ACDCTCPUJUIDLR-CQSZACIVSA-N 0 3 233.742 3.547 20 30 BHEDHN CCCC[C@@H](CC)CCNCC(C)(C)C#N ZINC000381403329 367394923 /nfs/dbraw/zinc/39/49/23/367394923.db2.gz RRPCVDSFKYUOMR-CYBMUJFWSA-N 0 3 224.392 3.732 20 30 BHEDHN CCCC[C@H](CC)CCNCC(C)(C)C#N ZINC000381403330 367395018 /nfs/dbraw/zinc/39/50/18/367395018.db2.gz RRPCVDSFKYUOMR-ZDUSSCGKSA-N 0 3 224.392 3.732 20 30 BHEDHN CCCN(Cc1ccc(C#N)cc1F)CC(C)C ZINC000381428306 344505314 /nfs/dbraw/zinc/50/53/14/344505314.db2.gz FWGBZRWGAZRSIQ-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN CC#CCN[C@H](C)c1csc2ccccc12 ZINC000381443709 710637558 /nfs/dbraw/zinc/63/75/58/710637558.db2.gz FJWJVWXRBLTLRP-LLVKDONJSA-N 0 3 229.348 3.575 20 30 BHEDHN CC#CCN[C@@H](C)c1csc2ccccc12 ZINC000381443710 710637644 /nfs/dbraw/zinc/63/76/44/710637644.db2.gz FJWJVWXRBLTLRP-NSHDSACASA-N 0 3 229.348 3.575 20 30 BHEDHN C=C(C)CNC(C)(C)c1cccc(Cl)c1F ZINC000381448948 345922230 /nfs/dbraw/zinc/92/22/30/345922230.db2.gz GJMZTCWBXRRBLK-UHFFFAOYSA-N 0 3 241.737 3.880 20 30 BHEDHN C=C(C)CCNC(C)(C)c1ccccc1F ZINC000381456761 367409726 /nfs/dbraw/zinc/40/97/26/367409726.db2.gz IOIITLIFUJBMOA-UHFFFAOYSA-N 0 3 221.319 3.617 20 30 BHEDHN C=C(C)CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000381464355 367410552 /nfs/dbraw/zinc/41/05/52/367410552.db2.gz KSNOYNBLOAXSBT-BXUZGUMPSA-N 0 3 235.758 3.741 20 30 BHEDHN C=C(C)CN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000381464361 367411005 /nfs/dbraw/zinc/41/10/05/367411005.db2.gz KSNOYNBLOAXSBT-FZMZJTMJSA-N 0 3 235.758 3.741 20 30 BHEDHN C=C(C)CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000381464363 367410946 /nfs/dbraw/zinc/41/09/46/367410946.db2.gz KSNOYNBLOAXSBT-RISCZKNCSA-N 0 3 235.758 3.741 20 30 BHEDHN C=C(C)CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000381464364 367410675 /nfs/dbraw/zinc/41/06/75/367410675.db2.gz KSNOYNBLOAXSBT-SMDDNHRTSA-N 0 3 235.758 3.741 20 30 BHEDHN C=CCC[C@@H](NCC=C(C)C)c1ccco1 ZINC000381469082 367413704 /nfs/dbraw/zinc/41/37/04/367413704.db2.gz LZJAUONZBPHLNP-CYBMUJFWSA-N 0 3 219.328 3.843 20 30 BHEDHN C=CCC[C@H](NCC=C(C)C)c1ccco1 ZINC000381469089 367413917 /nfs/dbraw/zinc/41/39/17/367413917.db2.gz LZJAUONZBPHLNP-ZDUSSCGKSA-N 0 3 219.328 3.843 20 30 BHEDHN C=CCNC1(c2cccc(Cl)c2)CCCC1 ZINC000381478770 346031335 /nfs/dbraw/zinc/03/13/35/346031335.db2.gz BNDWCVWGOGJQBF-UHFFFAOYSA-N 0 3 235.758 3.885 20 30 BHEDHN C=CCN[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000381513382 346221882 /nfs/dbraw/zinc/22/18/82/346221882.db2.gz RSZPUVNQQKQCIA-CYBMUJFWSA-N 0 3 241.737 3.952 20 30 BHEDHN C=CCN[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000381513383 346222605 /nfs/dbraw/zinc/22/26/05/346222605.db2.gz RSZPUVNQQKQCIA-ZDUSSCGKSA-N 0 3 241.737 3.952 20 30 BHEDHN CCCCCCCNCc1csc(CC)n1 ZINC000381573123 710656432 /nfs/dbraw/zinc/65/64/32/710656432.db2.gz YKIMPZXVSJSCNT-UHFFFAOYSA-N 0 3 240.416 3.766 20 30 BHEDHN C=CCC[C@@H](NCc1ccc(Cl)o1)C1CC1 ZINC000381604639 538111468 /nfs/dbraw/zinc/11/14/68/538111468.db2.gz PNLNBWWSCWNJCS-GFCCVEGCSA-N 0 3 239.746 3.767 20 30 BHEDHN C=CCC[C@H](NCc1ccc(Cl)o1)C1CC1 ZINC000381604644 539004814 /nfs/dbraw/zinc/00/48/14/539004814.db2.gz PNLNBWWSCWNJCS-LBPRGKRZSA-N 0 3 239.746 3.767 20 30 BHEDHN C=CCCCCN[C@H](C)c1ccc(CC)o1 ZINC000381649334 346549571 /nfs/dbraw/zinc/54/95/71/346549571.db2.gz CTTPAHXROAVJDU-GFCCVEGCSA-N 0 3 221.344 3.849 20 30 BHEDHN C=CCCCCN[C@@H](C)c1ccc(CC)o1 ZINC000381649335 346549295 /nfs/dbraw/zinc/54/92/95/346549295.db2.gz CTTPAHXROAVJDU-LBPRGKRZSA-N 0 3 221.344 3.849 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(C2CCC2)cc1 ZINC000382106049 398305402 /nfs/dbraw/zinc/30/54/02/398305402.db2.gz IIYAFJLFHNINEC-GFCCVEGCSA-N 0 3 215.340 3.618 20 30 BHEDHN C=C[C@H](C)NCc1ccc(C2CCC2)cc1 ZINC000382106050 398305236 /nfs/dbraw/zinc/30/52/36/398305236.db2.gz IIYAFJLFHNINEC-LBPRGKRZSA-N 0 3 215.340 3.618 20 30 BHEDHN C=CCCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000383366603 711644268 /nfs/dbraw/zinc/64/42/68/711644268.db2.gz VKWNHHLZGSHUAT-CYBMUJFWSA-N 0 3 233.355 3.708 20 30 BHEDHN C=CCCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000383366605 711644198 /nfs/dbraw/zinc/64/41/98/711644198.db2.gz VKWNHHLZGSHUAT-ZDUSSCGKSA-N 0 3 233.355 3.708 20 30 BHEDHN C=CCCCCN[C@H](C)c1ccc(F)cc1F ZINC000383375926 367618107 /nfs/dbraw/zinc/61/81/07/367618107.db2.gz ZIMJKQGEDDCHAI-LLVKDONJSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCCCN[C@@H](C)c1ccc(F)cc1F ZINC000383375928 367618131 /nfs/dbraw/zinc/61/81/31/367618131.db2.gz ZIMJKQGEDDCHAI-NSHDSACASA-N 0 3 239.309 3.972 20 30 BHEDHN CC(C)N(CCC#N)CC1CCC(C)(C)CC1 ZINC000383460916 367624240 /nfs/dbraw/zinc/62/42/40/367624240.db2.gz JFQJLLSCKWCBAV-UHFFFAOYSA-N 0 3 236.403 3.827 20 30 BHEDHN C=CCCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000383469255 711472289 /nfs/dbraw/zinc/47/22/89/711472289.db2.gz PCCUFEHZTKNGBM-LLVKDONJSA-N 0 3 237.318 3.538 20 30 BHEDHN C=CCCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000383469257 711472376 /nfs/dbraw/zinc/47/23/76/711472376.db2.gz PCCUFEHZTKNGBM-NSHDSACASA-N 0 3 237.318 3.538 20 30 BHEDHN CC(C)C1CCC(CNCC(C)(C)C#N)CC1 ZINC000383650813 367647248 /nfs/dbraw/zinc/64/72/48/367647248.db2.gz JDVVSVVGBOZZEH-UHFFFAOYSA-N 0 3 236.403 3.588 20 30 BHEDHN C=CCC(C)(C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000383741129 710895910 /nfs/dbraw/zinc/89/59/10/710895910.db2.gz CGXCRFAWDGCGQN-GFCCVEGCSA-N 0 3 233.355 3.645 20 30 BHEDHN C=CCC(C)(C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000383741131 710895918 /nfs/dbraw/zinc/89/59/18/710895918.db2.gz CGXCRFAWDGCGQN-LBPRGKRZSA-N 0 3 233.355 3.645 20 30 BHEDHN CC(C)(C#N)CN[C@@H]1CCCCC12CCCC2 ZINC000384000679 367668081 /nfs/dbraw/zinc/66/80/81/367668081.db2.gz OLLKCQPLLPWCNO-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN CC(C)(C#N)CN[C@H]1CCCCC12CCCC2 ZINC000384000681 367668466 /nfs/dbraw/zinc/66/84/66/367668466.db2.gz OLLKCQPLLPWCNO-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN CCN(C[C@@H](C)C#N)C[C@H](C)C1CCCCC1 ZINC000384076486 367670617 /nfs/dbraw/zinc/67/06/17/367670617.db2.gz WNTAMHQXHJIJKL-KBPBESRZSA-N 0 3 236.403 3.684 20 30 BHEDHN CCN(C[C@H](C)C1CCCCC1)C[C@H](C)C#N ZINC000384076487 367671061 /nfs/dbraw/zinc/67/10/61/367671061.db2.gz WNTAMHQXHJIJKL-KGLIPLIRSA-N 0 3 236.403 3.684 20 30 BHEDHN CCN(C[C@@H](C)C#N)C[C@@H](C)C1CCCCC1 ZINC000384076488 367670980 /nfs/dbraw/zinc/67/09/80/367670980.db2.gz WNTAMHQXHJIJKL-UONOGXRCSA-N 0 3 236.403 3.684 20 30 BHEDHN CCN(C[C@H](C)C#N)C[C@@H](C)C1CCCCC1 ZINC000384076489 350176277 /nfs/dbraw/zinc/17/62/77/350176277.db2.gz WNTAMHQXHJIJKL-ZIAGYGMSSA-N 0 3 236.403 3.684 20 30 BHEDHN C#C[C@@](C)(CC)NCc1cccc(C(F)F)c1 ZINC000384199416 710823417 /nfs/dbraw/zinc/82/34/17/710823417.db2.gz ZVFKMTCWTXOUFI-AWEZNQCLSA-N 0 3 237.293 3.516 20 30 BHEDHN C#C[C@](C)(CC)NCc1cccc(C(F)F)c1 ZINC000384199417 710823542 /nfs/dbraw/zinc/82/35/42/710823542.db2.gz ZVFKMTCWTXOUFI-CQSZACIVSA-N 0 3 237.293 3.516 20 30 BHEDHN CC(C)CN(CCC#N)C[C@H](C)c1ccccc1 ZINC000384600210 710994302 /nfs/dbraw/zinc/99/43/02/710994302.db2.gz NOZUFADSQHHWFD-HNNXBMFYSA-N 0 3 244.382 3.662 20 30 BHEDHN CC(C)CN(CCC#N)C[C@@H](C)c1ccccc1 ZINC000384600211 710994930 /nfs/dbraw/zinc/99/49/30/710994930.db2.gz NOZUFADSQHHWFD-OAHLLOKOSA-N 0 3 244.382 3.662 20 30 BHEDHN C=CC(C)(C)CN[C@H](C)c1nc(C)sc1C ZINC000384858276 398111936 /nfs/dbraw/zinc/11/19/36/398111936.db2.gz NMRDEWDPZQGAKQ-SECBINFHSA-N 0 3 238.400 3.623 20 30 BHEDHN C=CC(C)(C)CN[C@@H](C)c1nc(C)sc1C ZINC000384858277 398260372 /nfs/dbraw/zinc/26/03/72/398260372.db2.gz NMRDEWDPZQGAKQ-VIFPVBQESA-N 0 3 238.400 3.623 20 30 BHEDHN C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000384924072 710999312 /nfs/dbraw/zinc/99/93/12/710999312.db2.gz GZBGIDVKCKCBTQ-GFCCVEGCSA-N 0 3 233.355 3.563 20 30 BHEDHN C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000384924091 711000545 /nfs/dbraw/zinc/00/05/45/711000545.db2.gz GZBGIDVKCKCBTQ-LBPRGKRZSA-N 0 3 233.355 3.563 20 30 BHEDHN C=CC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000384933835 712705410 /nfs/dbraw/zinc/70/54/10/712705410.db2.gz IUWOFBUJFUYBOK-GFCCVEGCSA-N 0 3 233.355 3.563 20 30 BHEDHN C=CC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000384933837 712705579 /nfs/dbraw/zinc/70/55/79/712705579.db2.gz IUWOFBUJFUYBOK-LBPRGKRZSA-N 0 3 233.355 3.563 20 30 BHEDHN C=CC(C)(C)C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000384993668 712707856 /nfs/dbraw/zinc/70/78/56/712707856.db2.gz UDDPYDAYLINENG-CYBMUJFWSA-N 0 3 233.355 3.645 20 30 BHEDHN C=CC(C)(C)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000384993669 712707797 /nfs/dbraw/zinc/70/77/97/712707797.db2.gz UDDPYDAYLINENG-ZDUSSCGKSA-N 0 3 233.355 3.645 20 30 BHEDHN C=CC(C)(C)CN[C@@H](C)c1cccc(F)c1F ZINC000385030529 367775564 /nfs/dbraw/zinc/77/55/64/367775564.db2.gz KOEALQHUGYUOOD-JTQLQIEISA-N 0 3 239.309 3.828 20 30 BHEDHN C=CC(C)(C)CN[C@H](C)c1cccc(F)c1F ZINC000385030533 367775416 /nfs/dbraw/zinc/77/54/16/367775416.db2.gz KOEALQHUGYUOOD-SNVBAGLBSA-N 0 3 239.309 3.828 20 30 BHEDHN C=CC(C)(C)CNCc1sccc1Cl ZINC000385052015 367780592 /nfs/dbraw/zinc/78/05/92/367780592.db2.gz QZSSRPXEMIJTJV-UHFFFAOYSA-N 0 3 229.776 3.703 20 30 BHEDHN C=CC(C)(C)CN[C@H](C)c1ccccc1F ZINC000385136508 367799815 /nfs/dbraw/zinc/79/98/15/367799815.db2.gz HTXGJSZJBXGMBQ-LLVKDONJSA-N 0 3 221.319 3.689 20 30 BHEDHN C=CC(C)(C)CN[C@@H](C)c1ccccc1F ZINC000385136518 344919000 /nfs/dbraw/zinc/91/90/00/344919000.db2.gz HTXGJSZJBXGMBQ-NSHDSACASA-N 0 3 221.319 3.689 20 30 BHEDHN C[C@H](CC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000385142098 397965856 /nfs/dbraw/zinc/96/58/56/397965856.db2.gz MDZHEPCMPLRTPD-LLVKDONJSA-N 0 3 248.345 3.612 20 30 BHEDHN C[C@@H](CC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000385142099 387293730 /nfs/dbraw/zinc/29/37/30/387293730.db2.gz MDZHEPCMPLRTPD-NSHDSACASA-N 0 3 248.345 3.612 20 30 BHEDHN C=CCOc1ccccc1CN[C@H]1CCC1(C)C ZINC000385155043 367802159 /nfs/dbraw/zinc/80/21/59/367802159.db2.gz ZWCZZQSYJCEYSQ-HNNXBMFYSA-N 0 3 245.366 3.530 20 30 BHEDHN C=CCOc1ccccc1CN[C@@H]1CCC1(C)C ZINC000385155045 367802178 /nfs/dbraw/zinc/80/21/78/367802178.db2.gz ZWCZZQSYJCEYSQ-OAHLLOKOSA-N 0 3 245.366 3.530 20 30 BHEDHN CCN(Cc1ccc(C#N)cc1F)CC(C)(C)C ZINC000385955236 362914208 /nfs/dbraw/zinc/91/42/08/362914208.db2.gz NUZMMLQJSUPUID-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN CCCCCCCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000386159151 711024173 /nfs/dbraw/zinc/02/41/73/711024173.db2.gz FDHYZMACUMTGJD-KBPBESRZSA-N 0 3 249.402 3.839 20 30 BHEDHN CCCCCCCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000386159152 711023120 /nfs/dbraw/zinc/02/31/20/711023120.db2.gz FDHYZMACUMTGJD-KGLIPLIRSA-N 0 3 249.402 3.839 20 30 BHEDHN CCCCCCCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000386159153 711023349 /nfs/dbraw/zinc/02/33/49/711023349.db2.gz FDHYZMACUMTGJD-UONOGXRCSA-N 0 3 249.402 3.839 20 30 BHEDHN CCCCCCCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000386159154 711023056 /nfs/dbraw/zinc/02/30/56/711023056.db2.gz FDHYZMACUMTGJD-ZIAGYGMSSA-N 0 3 249.402 3.839 20 30 BHEDHN C=CCC(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000386251392 711026794 /nfs/dbraw/zinc/02/67/94/711026794.db2.gz SRQYNAQDHNYENU-CYBMUJFWSA-N 0 3 245.366 3.571 20 30 BHEDHN C=CCC(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000386251393 711025874 /nfs/dbraw/zinc/02/58/74/711025874.db2.gz SRQYNAQDHNYENU-ZDUSSCGKSA-N 0 3 245.366 3.571 20 30 BHEDHN CCN(Cc1cc(C#N)ccc1F)CC(C)(C)C ZINC000386394576 362977472 /nfs/dbraw/zinc/97/74/72/362977472.db2.gz VVTDCRGBHSGSJT-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN CCCN(Cc1cccc(C#N)c1F)CC(C)C ZINC000386433786 362986911 /nfs/dbraw/zinc/98/69/11/362986911.db2.gz ATAAPQWJYUQBNH-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN C=CCC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000386438833 711029164 /nfs/dbraw/zinc/02/91/64/711029164.db2.gz CAMAJMSUGJHJNV-CYBMUJFWSA-N 0 3 247.382 3.954 20 30 BHEDHN C=CCC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000386438836 711029118 /nfs/dbraw/zinc/02/91/18/711029118.db2.gz CAMAJMSUGJHJNV-ZDUSSCGKSA-N 0 3 247.382 3.954 20 30 BHEDHN C=C(C)CCNCc1ccccc1OC(C)C ZINC000386780992 343112383 /nfs/dbraw/zinc/11/23/83/343112383.db2.gz MGSCUHMQQZXGRP-UHFFFAOYSA-N 0 3 233.355 3.530 20 30 BHEDHN C=C(C)CCNCc1cccc(Cl)c1F ZINC000387412930 357923533 /nfs/dbraw/zinc/92/35/33/357923533.db2.gz MKGPKNJMPIXJIK-UHFFFAOYSA-N 0 3 227.710 3.535 20 30 BHEDHN C=C(C)CCNCc1c(F)cccc1Cl ZINC000387456953 368204973 /nfs/dbraw/zinc/20/49/73/368204973.db2.gz RJKFSLYRJLNETO-UHFFFAOYSA-N 0 3 227.710 3.535 20 30 BHEDHN C=C(C)CCNCc1cc(Cl)ccc1F ZINC000387476242 368226243 /nfs/dbraw/zinc/22/62/43/368226243.db2.gz UNBDUOBVKGNUMA-UHFFFAOYSA-N 0 3 227.710 3.535 20 30 BHEDHN C=C(C)CCNCc1ccc(F)cc1Cl ZINC000387504644 343091520 /nfs/dbraw/zinc/09/15/20/343091520.db2.gz YAFZHTKOHYSNPJ-UHFFFAOYSA-N 0 3 227.710 3.535 20 30 BHEDHN C=C(Br)CN(C(C)C)C1CCCC1 ZINC000388770382 711068153 /nfs/dbraw/zinc/06/81/53/711068153.db2.gz GMRSQYVXBWCHPS-UHFFFAOYSA-N 0 3 246.192 3.548 20 30 BHEDHN C=CCCCCNCc1ccsc1Cl ZINC000389199003 355846288 /nfs/dbraw/zinc/84/62/88/355846288.db2.gz CGUDLJZPOAULQP-UHFFFAOYSA-N 0 3 229.776 3.847 20 30 BHEDHN C=C(C)CNCc1c(Cl)cccc1CC ZINC000389833336 357049445 /nfs/dbraw/zinc/04/94/45/357049445.db2.gz BUOQBBAQGMMZGN-UHFFFAOYSA-N 0 3 223.747 3.568 20 30 BHEDHN C=CCC[C@H](CC)NCc1ccc(Cl)o1 ZINC000389849214 539017860 /nfs/dbraw/zinc/01/78/60/539017860.db2.gz SHOGWTUBZROMHZ-JTQLQIEISA-N 0 3 227.735 3.767 20 30 BHEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccc(Cl)o1 ZINC000389968852 539019502 /nfs/dbraw/zinc/01/95/02/539019502.db2.gz YTTTYBBGYCAHCT-NXEZZACHSA-N 0 3 227.735 3.623 20 30 BHEDHN C=CC[C@H](C)[C@H](C)NCc1ccc(Cl)o1 ZINC000389968857 539019527 /nfs/dbraw/zinc/01/95/27/539019527.db2.gz YTTTYBBGYCAHCT-UWVGGRQHSA-N 0 3 227.735 3.623 20 30 BHEDHN C=CC[C@H](C)[C@@H](C)NCc1ccc(Cl)o1 ZINC000389968859 539019277 /nfs/dbraw/zinc/01/92/77/539019277.db2.gz YTTTYBBGYCAHCT-VHSXEESVSA-N 0 3 227.735 3.623 20 30 BHEDHN C=CC[C@@H](C)[C@H](C)NCc1ccc(Cl)o1 ZINC000389968860 539019128 /nfs/dbraw/zinc/01/91/28/539019128.db2.gz YTTTYBBGYCAHCT-ZJUUUORDSA-N 0 3 227.735 3.623 20 30 BHEDHN C=CCNCc1ccc(C2CCCC2)cc1 ZINC000390210478 259382586 /nfs/dbraw/zinc/38/25/86/259382586.db2.gz UYAVCGIZCNQILE-UHFFFAOYSA-N 0 3 215.340 3.620 20 30 BHEDHN C=CCCNC(C)(C)c1cccc(Cl)c1F ZINC000390322857 259385939 /nfs/dbraw/zinc/38/59/39/259385939.db2.gz ITQDCHNDWOUJJM-UHFFFAOYSA-N 0 3 241.737 3.880 20 30 BHEDHN C=C[C@H](C)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000390415225 539021340 /nfs/dbraw/zinc/02/13/40/539021340.db2.gz GWFRNPFDVKYOHJ-HZMBPMFUSA-N 0 3 235.758 3.882 20 30 BHEDHN C=C[C@H](C)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000390415226 539021713 /nfs/dbraw/zinc/02/17/13/539021713.db2.gz GWFRNPFDVKYOHJ-IINYFYTJSA-N 0 3 235.758 3.882 20 30 BHEDHN C=C[C@@H](C)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000390415227 539021647 /nfs/dbraw/zinc/02/16/47/539021647.db2.gz GWFRNPFDVKYOHJ-QMTHXVAHSA-N 0 3 235.758 3.882 20 30 BHEDHN C=C[C@@H](C)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000390415228 539021553 /nfs/dbraw/zinc/02/15/53/539021553.db2.gz GWFRNPFDVKYOHJ-YGRLFVJLSA-N 0 3 235.758 3.882 20 30 BHEDHN C#C[C@@H](NCc1cc(C)sc1C)C(C)(C)C ZINC000390469908 711119491 /nfs/dbraw/zinc/11/94/91/711119491.db2.gz IVLMNBMNMDBJGR-CYBMUJFWSA-N 0 3 235.396 3.502 20 30 BHEDHN C#C[C@H](NCc1cc(C)sc1C)C(C)(C)C ZINC000390469914 711119051 /nfs/dbraw/zinc/11/90/51/711119051.db2.gz IVLMNBMNMDBJGR-ZDUSSCGKSA-N 0 3 235.396 3.502 20 30 BHEDHN C=C(C)CCN[C@@H](C)c1cccc(F)c1F ZINC000390503964 259391311 /nfs/dbraw/zinc/39/13/11/259391311.db2.gz WCNJLYADXIFYNV-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(C)CCN[C@H](C)c1cccc(F)c1F ZINC000390503965 259391237 /nfs/dbraw/zinc/39/12/37/259391237.db2.gz WCNJLYADXIFYNV-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc(F)cc1F ZINC000390508382 259391291 /nfs/dbraw/zinc/39/12/91/259391291.db2.gz YGLPTISKYGCDDB-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCCCCN[C@H](C)c1ccccc1F ZINC000390511882 259391865 /nfs/dbraw/zinc/39/18/65/259391865.db2.gz ZOTORDRIAOOONK-GFCCVEGCSA-N 0 3 221.319 3.833 20 30 BHEDHN C=CCCCCN[C@@H](C)c1ccccc1F ZINC000390511883 259392038 /nfs/dbraw/zinc/39/20/38/259392038.db2.gz ZOTORDRIAOOONK-LBPRGKRZSA-N 0 3 221.319 3.833 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000390515496 259391661 /nfs/dbraw/zinc/39/16/61/259391661.db2.gz CVQBNOHQEATWBT-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cccc(F)c1F ZINC000390518588 259391844 /nfs/dbraw/zinc/39/18/44/259391844.db2.gz DPSIAFXOWOZQIH-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cccc(F)c1F ZINC000390518591 259391878 /nfs/dbraw/zinc/39/18/78/259391878.db2.gz DPSIAFXOWOZQIH-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN C=CCN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000390535366 539026085 /nfs/dbraw/zinc/02/60/85/539026085.db2.gz JYEFZNJDKJPMCU-CYBMUJFWSA-N 0 3 221.319 3.689 20 30 BHEDHN C=CCN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000390535367 539026079 /nfs/dbraw/zinc/02/60/79/539026079.db2.gz JYEFZNJDKJPMCU-ZDUSSCGKSA-N 0 3 221.319 3.689 20 30 BHEDHN C=C(Cl)CNCCc1ccc(C(C)C)cc1 ZINC000390622783 712422070 /nfs/dbraw/zinc/42/20/70/712422070.db2.gz JAVUZSUWIMEBOW-UHFFFAOYSA-N 0 3 237.774 3.695 20 30 BHEDHN C=CCCCCC[C@@H](C)NCc1nccs1 ZINC000390679279 711132029 /nfs/dbraw/zinc/13/20/29/711132029.db2.gz YZFTWVGDQQVNTA-GFCCVEGCSA-N 0 3 238.400 3.758 20 30 BHEDHN C=CCCCCC[C@H](C)NCc1nccs1 ZINC000390679280 711132740 /nfs/dbraw/zinc/13/27/40/711132740.db2.gz YZFTWVGDQQVNTA-LBPRGKRZSA-N 0 3 238.400 3.758 20 30 BHEDHN CCCCCCCCCN[C@H](C)CC#N ZINC000393613575 711676939 /nfs/dbraw/zinc/67/69/39/711676939.db2.gz KHVKBXUYUJJNRM-CYBMUJFWSA-N 0 3 210.365 3.629 20 30 BHEDHN CCCCCCCCCN[C@@H](C)CC#N ZINC000393613576 711676829 /nfs/dbraw/zinc/67/68/29/711676829.db2.gz KHVKBXUYUJJNRM-ZDUSSCGKSA-N 0 3 210.365 3.629 20 30 BHEDHN C=CC[C@@H](CC)NCc1ccccc1Cl ZINC000393616485 388435511 /nfs/dbraw/zinc/43/55/11/388435511.db2.gz SHPZRSUUFINXLK-GFCCVEGCSA-N 0 3 223.747 3.784 20 30 BHEDHN C=CC[C@H](CC)NCc1ccccc1Cl ZINC000393616486 388435089 /nfs/dbraw/zinc/43/50/89/388435089.db2.gz SHPZRSUUFINXLK-LBPRGKRZSA-N 0 3 223.747 3.784 20 30 BHEDHN C#CCCCNCc1csc(Cl)c1Cl ZINC000393682621 711169649 /nfs/dbraw/zinc/16/96/49/711169649.db2.gz LDBZIFRMWQGGJM-UHFFFAOYSA-N 0 3 248.178 3.558 20 30 BHEDHN C=CCCCNCc1ccc(F)cc1Cl ZINC000393739796 388440004 /nfs/dbraw/zinc/44/00/04/388440004.db2.gz HUFBRFHBWBRABT-UHFFFAOYSA-N 0 3 227.710 3.535 20 30 BHEDHN C=CC[C@@H](CC)N[C@@H](C)c1ccc(F)cc1F ZINC000393745317 388440297 /nfs/dbraw/zinc/44/02/97/388440297.db2.gz JBLLHRLIBURUJX-CMPLNLGQSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CC[C@H](CC)N[C@@H](C)c1ccc(F)cc1F ZINC000393745320 388440023 /nfs/dbraw/zinc/44/00/23/388440023.db2.gz JBLLHRLIBURUJX-JQWIXIFHSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CC[C@H](CC)N[C@H](C)c1ccc(F)cc1F ZINC000393745323 388440166 /nfs/dbraw/zinc/44/01/66/388440166.db2.gz JBLLHRLIBURUJX-PWSUYJOCSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CC[C@@H](CC)N[C@H](C)c1ccc(F)cc1F ZINC000393745326 388439876 /nfs/dbraw/zinc/43/98/76/388439876.db2.gz JBLLHRLIBURUJX-ZYHUDNBSSA-N 0 3 239.309 3.970 20 30 BHEDHN C=C(CC)CNC1(c2ccc(Cl)cc2)CC1 ZINC000393754632 387097356 /nfs/dbraw/zinc/09/73/56/387097356.db2.gz VSTBTMHMVQAETF-UHFFFAOYSA-N 0 3 235.758 3.885 20 30 BHEDHN CC[C@@H](CC#N)NCCC1CCCCCC1 ZINC000393759349 387162455 /nfs/dbraw/zinc/16/24/55/387162455.db2.gz ZENBJKFDFJDHEW-AWEZNQCLSA-N 0 3 222.376 3.629 20 30 BHEDHN CC[C@H](CC#N)NCCC1CCCCCC1 ZINC000393759350 387161136 /nfs/dbraw/zinc/16/11/36/387161136.db2.gz ZENBJKFDFJDHEW-CQSZACIVSA-N 0 3 222.376 3.629 20 30 BHEDHN C=CC[C@@H](CC)N[C@@H](C)c1cc(F)ccc1F ZINC000393763513 387265836 /nfs/dbraw/zinc/26/58/36/387265836.db2.gz ZLKNBWCEUFJDGT-CMPLNLGQSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CC[C@H](CC)N[C@@H](C)c1cc(F)ccc1F ZINC000393763514 387264637 /nfs/dbraw/zinc/26/46/37/387264637.db2.gz ZLKNBWCEUFJDGT-JQWIXIFHSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CC[C@H](CC)N[C@H](C)c1cc(F)ccc1F ZINC000393763515 259356130 /nfs/dbraw/zinc/35/61/30/259356130.db2.gz ZLKNBWCEUFJDGT-PWSUYJOCSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CC[C@@H](CC)N[C@H](C)c1cc(F)ccc1F ZINC000393763516 387265935 /nfs/dbraw/zinc/26/59/35/387265935.db2.gz ZLKNBWCEUFJDGT-ZYHUDNBSSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC000393763940 582922507 /nfs/dbraw/zinc/92/25/07/582922507.db2.gz OMUVAJMPIUMHSZ-CMPLNLGQSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000393763942 583957282 /nfs/dbraw/zinc/95/72/82/583957282.db2.gz OMUVAJMPIUMHSZ-JQWIXIFHSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000393763943 582922900 /nfs/dbraw/zinc/92/29/00/582922900.db2.gz OMUVAJMPIUMHSZ-PWSUYJOCSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](C)c1nc(C)cs1 ZINC000393763945 582922602 /nfs/dbraw/zinc/92/26/02/582922602.db2.gz OMUVAJMPIUMHSZ-ZYHUDNBSSA-N 0 3 238.400 3.847 20 30 BHEDHN C=CC[C@H](CC)NCc1cc(F)c(F)cc1F ZINC000393769427 387289449 /nfs/dbraw/zinc/28/94/49/387289449.db2.gz DRQKZVJRDJGRSQ-JTQLQIEISA-N 0 3 243.272 3.548 20 30 BHEDHN C=CC[C@@H](CC)NCc1cc(F)c(F)cc1F ZINC000393769430 387289070 /nfs/dbraw/zinc/28/90/70/387289070.db2.gz DRQKZVJRDJGRSQ-SNVBAGLBSA-N 0 3 243.272 3.548 20 30 BHEDHN C=CC[C@H](CC)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000393771890 387295471 /nfs/dbraw/zinc/29/54/71/387295471.db2.gz UMHRUGUDOKDOTG-DYEKYZERSA-N 0 3 233.355 3.847 20 30 BHEDHN C=CC[C@H](CC)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000393771892 387294925 /nfs/dbraw/zinc/29/49/25/387294925.db2.gz UMHRUGUDOKDOTG-MBNYWOFBSA-N 0 3 233.355 3.847 20 30 BHEDHN C=CC[C@H](CC)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000393771894 387295461 /nfs/dbraw/zinc/29/54/61/387295461.db2.gz UMHRUGUDOKDOTG-OBJOEFQTSA-N 0 3 233.355 3.847 20 30 BHEDHN C=CC[C@H](CC)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000393771898 387295744 /nfs/dbraw/zinc/29/57/44/387295744.db2.gz UMHRUGUDOKDOTG-SGMGOOAPSA-N 0 3 233.355 3.847 20 30 BHEDHN C=CC[C@H](CC)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000393776766 711173854 /nfs/dbraw/zinc/17/38/54/711173854.db2.gz YIQDCSLBBRXFEX-GXTWGEPZSA-N 0 3 233.355 3.788 20 30 BHEDHN C=CC[C@H](CC)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000393776768 711173631 /nfs/dbraw/zinc/17/36/31/711173631.db2.gz YIQDCSLBBRXFEX-JSGCOSHPSA-N 0 3 233.355 3.788 20 30 BHEDHN C=CC[C@@H](CC)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000393776770 711173919 /nfs/dbraw/zinc/17/39/19/711173919.db2.gz YIQDCSLBBRXFEX-OCCSQVGLSA-N 0 3 233.355 3.788 20 30 BHEDHN C=CC[C@@H](CC)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000393776772 711174105 /nfs/dbraw/zinc/17/41/05/711174105.db2.gz YIQDCSLBBRXFEX-TZMCWYRMSA-N 0 3 233.355 3.788 20 30 BHEDHN C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000393776872 711677849 /nfs/dbraw/zinc/67/78/49/711677849.db2.gz YMXCNGDVBJWUAF-CHWSQXEVSA-N 0 3 233.355 3.706 20 30 BHEDHN C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000393776874 710675122 /nfs/dbraw/zinc/67/51/22/710675122.db2.gz YMXCNGDVBJWUAF-OLZOCXBDSA-N 0 3 233.355 3.706 20 30 BHEDHN C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000393776877 710675149 /nfs/dbraw/zinc/67/51/49/710675149.db2.gz YMXCNGDVBJWUAF-QWHCGFSZSA-N 0 3 233.355 3.706 20 30 BHEDHN C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000393776879 710675523 /nfs/dbraw/zinc/67/55/23/710675523.db2.gz YMXCNGDVBJWUAF-STQMWFEESA-N 0 3 233.355 3.706 20 30 BHEDHN C=C(C)CCN[C@@H](C)c1c(F)cccc1F ZINC000393779711 388442066 /nfs/dbraw/zinc/44/20/66/388442066.db2.gz AUVOLBFWWOKRSF-JTQLQIEISA-N 0 3 225.282 3.582 20 30 BHEDHN C=C(C)CCN[C@H](C)c1c(F)cccc1F ZINC000393779713 388441802 /nfs/dbraw/zinc/44/18/02/388441802.db2.gz AUVOLBFWWOKRSF-SNVBAGLBSA-N 0 3 225.282 3.582 20 30 BHEDHN CCCC[C@H](CC)CCN[C@@H](CC)CC#N ZINC000393789650 388113933 /nfs/dbraw/zinc/11/39/33/388113933.db2.gz CWZNNQWOMBDFCU-KBPBESRZSA-N 0 3 224.392 3.875 20 30 BHEDHN CCCC[C@@H](CC)CCN[C@@H](CC)CC#N ZINC000393789653 388114425 /nfs/dbraw/zinc/11/44/25/388114425.db2.gz CWZNNQWOMBDFCU-KGLIPLIRSA-N 0 3 224.392 3.875 20 30 BHEDHN CCCC[C@H](CC)CCN[C@H](CC)CC#N ZINC000393789655 388114349 /nfs/dbraw/zinc/11/43/49/388114349.db2.gz CWZNNQWOMBDFCU-UONOGXRCSA-N 0 3 224.392 3.875 20 30 BHEDHN CCCC[C@@H](CC)CCN[C@H](CC)CC#N ZINC000393789658 259506313 /nfs/dbraw/zinc/50/63/13/259506313.db2.gz CWZNNQWOMBDFCU-ZIAGYGMSSA-N 0 3 224.392 3.875 20 30 BHEDHN C=CC[C@@H](CC)N[C@H](C)c1cccc(F)c1F ZINC000393798290 324208238 /nfs/dbraw/zinc/20/82/38/324208238.db2.gz LBQCBYJTPPZYRK-GHMZBOCLSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CC[C@H](CC)N[C@H](C)c1cccc(F)c1F ZINC000393798293 388846853 /nfs/dbraw/zinc/84/68/53/388846853.db2.gz LBQCBYJTPPZYRK-MNOVXSKESA-N 0 3 239.309 3.970 20 30 BHEDHN C=CC[C@H](CC)N[C@@H](C)c1cccc(F)c1F ZINC000393798575 388443031 /nfs/dbraw/zinc/44/30/31/388443031.db2.gz LBQCBYJTPPZYRK-QWRGUYRKSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CC[C@@H](CC)N[C@@H](C)c1cccc(F)c1F ZINC000393798579 388345877 /nfs/dbraw/zinc/34/58/77/388345877.db2.gz LBQCBYJTPPZYRK-WDEREUQCSA-N 0 3 239.309 3.970 20 30 BHEDHN C=CCCCCN[C@H](C)c1c(F)cccc1F ZINC000393828244 357301994 /nfs/dbraw/zinc/30/19/94/357301994.db2.gz HJACEQNPFLWAEA-LLVKDONJSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCCCCN[C@@H](C)c1c(F)cccc1F ZINC000393828246 357302308 /nfs/dbraw/zinc/30/23/08/357302308.db2.gz HJACEQNPFLWAEA-NSHDSACASA-N 0 3 239.309 3.972 20 30 BHEDHN CCCCCCCN[C@H](C)c1cscn1 ZINC000394473443 711687745 /nfs/dbraw/zinc/68/77/45/711687745.db2.gz ZDRIIMUGGUNBMD-LLVKDONJSA-N 0 3 226.389 3.764 20 30 BHEDHN CCCCCCCN[C@@H](C)c1cscn1 ZINC000394473444 711192893 /nfs/dbraw/zinc/19/28/93/711192893.db2.gz ZDRIIMUGGUNBMD-NSHDSACASA-N 0 3 226.389 3.764 20 30 BHEDHN C=CCCCCCCNCc1ncc(C)s1 ZINC000394734212 711690084 /nfs/dbraw/zinc/69/00/84/711690084.db2.gz QBZHLLCUXFEYQW-UHFFFAOYSA-N 0 3 238.400 3.678 20 30 BHEDHN C=CCOc1ccccc1CNC1CC(C)(C)C1 ZINC000395186591 386969926 /nfs/dbraw/zinc/96/99/26/386969926.db2.gz SOKPNPFNEALMIR-UHFFFAOYSA-N 0 3 245.366 3.530 20 30 BHEDHN C=C(C)CCNCc1ccc(Cl)cc1F ZINC000395415132 262787501 /nfs/dbraw/zinc/78/75/01/262787501.db2.gz JNSWMPYFWSBMCU-UHFFFAOYSA-N 0 3 227.710 3.535 20 30 BHEDHN CC(C)C[C@@H]1CCCN1Cc1ccccc1C#N ZINC000396930867 385867169 /nfs/dbraw/zinc/86/71/69/385867169.db2.gz XXKTWXHGXUYAER-INIZCTEOSA-N 0 3 242.366 3.569 20 30 BHEDHN CC(C)C[C@H]1CCCN1Cc1ccccc1C#N ZINC000396930868 385866712 /nfs/dbraw/zinc/86/67/12/385866712.db2.gz XXKTWXHGXUYAER-MRXNPFEDSA-N 0 3 242.366 3.569 20 30 BHEDHN C=CCOc1ccccc1CNCCC=C(C)C ZINC000397708750 262930423 /nfs/dbraw/zinc/93/04/23/262930423.db2.gz OCSHPCAUUDLFGP-UHFFFAOYSA-N 0 3 245.366 3.697 20 30 BHEDHN CCCCCCC[C@@H](C)NCc1cnc(C)o1 ZINC000397853627 711394249 /nfs/dbraw/zinc/39/42/49/711394249.db2.gz AIBHIOFJFZAXQK-GFCCVEGCSA-N 0 3 238.375 3.822 20 30 BHEDHN CCCCCCC[C@H](C)NCc1cnc(C)o1 ZINC000397853628 711393892 /nfs/dbraw/zinc/39/38/92/711393892.db2.gz AIBHIOFJFZAXQK-LBPRGKRZSA-N 0 3 238.375 3.822 20 30 BHEDHN CCCCCCCCCNCc1cnc(C)o1 ZINC000398069068 711400919 /nfs/dbraw/zinc/40/09/19/711400919.db2.gz NCGFQVKVMQKJIH-UHFFFAOYSA-N 0 3 238.375 3.823 20 30 BHEDHN C=CCCC[C@@H](C)NCc1ccc(C#N)cc1F ZINC000398152427 357851046 /nfs/dbraw/zinc/85/10/46/357851046.db2.gz GZKACCPPCHITAL-GFCCVEGCSA-N 0 3 246.329 3.532 20 30 BHEDHN C=CCCC[C@H](C)NCc1ccc(C#N)cc1F ZINC000398152428 357850490 /nfs/dbraw/zinc/85/04/90/357850490.db2.gz GZKACCPPCHITAL-LBPRGKRZSA-N 0 3 246.329 3.532 20 30 BHEDHN C=CCCC[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000398193830 711404613 /nfs/dbraw/zinc/40/46/13/711404613.db2.gz SKMHOYNYXMPTFN-GXTWGEPZSA-N 0 3 245.366 3.714 20 30 BHEDHN C=CCCC[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000398193832 711403968 /nfs/dbraw/zinc/40/39/68/711403968.db2.gz SKMHOYNYXMPTFN-JSGCOSHPSA-N 0 3 245.366 3.714 20 30 BHEDHN C=CCCC[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000398193834 711404464 /nfs/dbraw/zinc/40/44/64/711404464.db2.gz SKMHOYNYXMPTFN-OCCSQVGLSA-N 0 3 245.366 3.714 20 30 BHEDHN C=CCCC[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000398193836 711404456 /nfs/dbraw/zinc/40/44/56/711404456.db2.gz SKMHOYNYXMPTFN-TZMCWYRMSA-N 0 3 245.366 3.714 20 30 BHEDHN C=CCCC[C@@H](C)NCc1ccncc1Cl ZINC000398239382 411401153 /nfs/dbraw/zinc/40/11/53/411401153.db2.gz XYVWMKDPPCAMHB-LLVKDONJSA-N 0 3 238.762 3.569 20 30 BHEDHN C=CCCC[C@H](C)NCc1ccncc1Cl ZINC000398239383 411401545 /nfs/dbraw/zinc/40/15/45/411401545.db2.gz XYVWMKDPPCAMHB-NSHDSACASA-N 0 3 238.762 3.569 20 30 BHEDHN Cc1cc(CN2CCC(CCC#N)CC2)cs1 ZINC000399404932 357906231 /nfs/dbraw/zinc/90/62/31/357906231.db2.gz XPTUHQGZXGCJTK-UHFFFAOYSA-N 0 3 248.395 3.572 20 30 BHEDHN CN(CCC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC000404050768 357490684 /nfs/dbraw/zinc/49/06/84/357490684.db2.gz FARFEYMIOYSIML-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN C[C@H](CCC(C)(C)C)NCC1(C#N)CCCC1 ZINC000405157792 351981469 /nfs/dbraw/zinc/98/14/69/351981469.db2.gz USUOQDLXZZSFHN-CYBMUJFWSA-N 0 3 236.403 3.875 20 30 BHEDHN C[C@@H](CCC(C)(C)C)NCC1(C#N)CCCC1 ZINC000405157794 351981704 /nfs/dbraw/zinc/98/17/04/351981704.db2.gz USUOQDLXZZSFHN-ZDUSSCGKSA-N 0 3 236.403 3.875 20 30 BHEDHN CC1(C)CCC(NCC2(C#N)CCCC2)CC1 ZINC000405164295 352009878 /nfs/dbraw/zinc/00/98/78/352009878.db2.gz HOFXGDRQBLIOJL-UHFFFAOYSA-N 0 3 234.387 3.629 20 30 BHEDHN N#CC1(CNCC2CCCCCC2)CCCC1 ZINC000405178114 369447628 /nfs/dbraw/zinc/44/76/28/369447628.db2.gz UOZFSCJJFZQOMH-UHFFFAOYSA-N 0 3 234.387 3.630 20 30 BHEDHN CCC1CCC(NCC2(C#N)CCCC2)CC1 ZINC000405187821 369448119 /nfs/dbraw/zinc/44/81/19/369448119.db2.gz MRPUHNXIHACOOF-UHFFFAOYSA-N 0 3 234.387 3.629 20 30 BHEDHN CC1(C)CCCC[C@H]1NCC1(C#N)CCCC1 ZINC000405189247 369448390 /nfs/dbraw/zinc/44/83/90/369448390.db2.gz OLPLXUVUMJGCBC-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN CC1(C)CCCC[C@@H]1NCC1(C#N)CCCC1 ZINC000405189248 369447658 /nfs/dbraw/zinc/44/76/58/369447658.db2.gz OLPLXUVUMJGCBC-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN N#CC1(CNCCC2CCCCC2)CCCC1 ZINC000405189594 369447829 /nfs/dbraw/zinc/44/78/29/369447829.db2.gz OVCYXPRDTBGFCJ-UHFFFAOYSA-N 0 3 234.387 3.630 20 30 BHEDHN CC[C@H]1CCC[C@H](NCC2(C#N)CCCC2)C1 ZINC000405190770 352088084 /nfs/dbraw/zinc/08/80/84/352088084.db2.gz QQBVEBGEQIYHTH-KBPBESRZSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@@H]1CCC[C@H](NCC2(C#N)CCCC2)C1 ZINC000405190771 352088256 /nfs/dbraw/zinc/08/82/56/352088256.db2.gz QQBVEBGEQIYHTH-KGLIPLIRSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@H]1CCC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000405190772 352088449 /nfs/dbraw/zinc/08/84/49/352088449.db2.gz QQBVEBGEQIYHTH-UONOGXRCSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@@H]1CCC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000405190773 352088158 /nfs/dbraw/zinc/08/81/58/352088158.db2.gz QQBVEBGEQIYHTH-ZIAGYGMSSA-N 0 3 234.387 3.629 20 30 BHEDHN CC1(C)CCC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000405191652 369448259 /nfs/dbraw/zinc/44/82/59/369448259.db2.gz SAXUZAIVEVKZKY-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN CC1(C)CCC[C@H](NCC2(C#N)CCCC2)C1 ZINC000405191653 369448002 /nfs/dbraw/zinc/44/80/02/369448002.db2.gz SAXUZAIVEVKZKY-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@@H](NCC1(C#N)CCCC1)C1CCCCC1 ZINC000405194413 369449067 /nfs/dbraw/zinc/44/90/67/369449067.db2.gz ZPEGCLNYFSBUPL-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@H](NCC1(C#N)CCCC1)C1CCCCC1 ZINC000405194414 369449613 /nfs/dbraw/zinc/44/96/13/369449613.db2.gz ZPEGCLNYFSBUPL-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN C=C(C)CN(Cc1cccs1)C(C)C ZINC000409444270 191010202 /nfs/dbraw/zinc/01/02/02/191010202.db2.gz CYHBRNCBOYROGA-UHFFFAOYSA-N 0 3 209.358 3.535 20 30 BHEDHN CCC(CC)CN(CCC#N)CC(C)(C)C ZINC000409444492 191012001 /nfs/dbraw/zinc/01/20/01/191012001.db2.gz BDWVBZGXUXGIJK-UHFFFAOYSA-N 0 3 224.392 3.684 20 30 BHEDHN CCC(CC)CN(CCC#N)CC1CCCC1 ZINC000409444868 191011118 /nfs/dbraw/zinc/01/11/18/191011118.db2.gz ARLFNTXCCAGPAF-UHFFFAOYSA-N 0 3 236.403 3.828 20 30 BHEDHN CC(C)(C)C1=CCN(CCC(C)(C)C#N)CC1 ZINC000409445001 191014287 /nfs/dbraw/zinc/01/42/87/191014287.db2.gz OUEGZSIWOISHRX-UHFFFAOYSA-N 0 3 234.387 3.604 20 30 BHEDHN CC(C)(C#N)CCCN1CC[C@H]1c1ccccc1 ZINC000409445218 191013527 /nfs/dbraw/zinc/01/35/27/191013527.db2.gz OQEZQLRARXMGTG-HNNXBMFYSA-N 0 3 242.366 3.763 20 30 BHEDHN CC(C)(C#N)CCCN1CC[C@@H]1c1ccccc1 ZINC000409445219 191013995 /nfs/dbraw/zinc/01/39/95/191013995.db2.gz OQEZQLRARXMGTG-OAHLLOKOSA-N 0 3 242.366 3.763 20 30 BHEDHN C=C(C)CN(CC)CCC1(C#N)CCCCC1 ZINC000411152712 191164852 /nfs/dbraw/zinc/16/48/52/191164852.db2.gz HNCNFIBEHXYOKK-UHFFFAOYSA-N 0 3 234.387 3.749 20 30 BHEDHN C=CCN(CC=C)[C@H](C)c1cccc(F)c1 ZINC000411162568 191164060 /nfs/dbraw/zinc/16/40/60/191164060.db2.gz HAOUBTDXUKZSNF-GFCCVEGCSA-N 0 3 219.303 3.561 20 30 BHEDHN C=CCN(CC=C)[C@@H](C)c1cccc(F)c1 ZINC000411162569 191165113 /nfs/dbraw/zinc/16/51/13/191165113.db2.gz HAOUBTDXUKZSNF-LBPRGKRZSA-N 0 3 219.303 3.561 20 30 BHEDHN CC(C)c1ccc(CN(C)[C@@H](C)CCC#N)cc1 ZINC000411162926 191164669 /nfs/dbraw/zinc/16/46/69/191164669.db2.gz YRQQZVRZXCLICO-AWEZNQCLSA-N 0 3 244.382 3.934 20 30 BHEDHN CC(C)c1ccc(CN(C)[C@H](C)CCC#N)cc1 ZINC000411162927 191164000 /nfs/dbraw/zinc/16/40/00/191164000.db2.gz YRQQZVRZXCLICO-CQSZACIVSA-N 0 3 244.382 3.934 20 30 BHEDHN CCCN(Cc1ccc(F)cc1)[C@H](C)CCC#N ZINC000411203339 191170510 /nfs/dbraw/zinc/17/05/10/191170510.db2.gz QZODCTYIRXOINR-CYBMUJFWSA-N 0 3 248.345 3.730 20 30 BHEDHN CCCN(Cc1ccc(F)cc1)[C@@H](C)CCC#N ZINC000411203340 191170705 /nfs/dbraw/zinc/17/07/05/191170705.db2.gz QZODCTYIRXOINR-ZDUSSCGKSA-N 0 3 248.345 3.730 20 30 BHEDHN C=C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411269609 191173922 /nfs/dbraw/zinc/17/39/22/191173922.db2.gz FGBPFOXDPYLKBI-UHFFFAOYSA-N 0 3 232.371 3.503 20 30 BHEDHN CC1=CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411405982 191184183 /nfs/dbraw/zinc/18/41/83/191184183.db2.gz IHMFGLXRIWOCDW-UHFFFAOYSA-N 0 3 232.371 3.503 20 30 BHEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(Cl)c1 ZINC000411438109 191186723 /nfs/dbraw/zinc/18/67/23/191186723.db2.gz MKHBRXDISLFIBP-GHMZBOCLSA-N 0 3 236.746 3.683 20 30 BHEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(Cl)c1 ZINC000411438119 191186526 /nfs/dbraw/zinc/18/65/26/191186526.db2.gz MKHBRXDISLFIBP-WDEREUQCSA-N 0 3 236.746 3.683 20 30 BHEDHN C=CCN(CCC1(C#N)CCCCC1)C1CC1 ZINC000411438212 191186685 /nfs/dbraw/zinc/18/66/85/191186685.db2.gz BLPNITKGCVRHHS-UHFFFAOYSA-N 0 3 232.371 3.501 20 30 BHEDHN C=C(C)CN(C)Cc1cnc2ccc(C)cc2c1 ZINC000411490722 191188588 /nfs/dbraw/zinc/18/85/88/191188588.db2.gz TYYCCZGKJTWPCR-UHFFFAOYSA-N 0 3 240.350 3.551 20 30 BHEDHN Cc1cccc(C)c1[C@H](C)N[C@@H](C)CCC#N ZINC000411526597 191190959 /nfs/dbraw/zinc/19/09/59/191190959.db2.gz MJWNJNHXQMVPBN-KBPBESRZSA-N 0 3 230.355 3.646 20 30 BHEDHN Cc1cccc(C)c1[C@H](C)N[C@H](C)CCC#N ZINC000411526600 191191991 /nfs/dbraw/zinc/19/19/91/191191991.db2.gz MJWNJNHXQMVPBN-KGLIPLIRSA-N 0 3 230.355 3.646 20 30 BHEDHN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)CCC#N ZINC000411526601 191191469 /nfs/dbraw/zinc/19/14/69/191191469.db2.gz MJWNJNHXQMVPBN-UONOGXRCSA-N 0 3 230.355 3.646 20 30 BHEDHN Cc1cccc(C)c1[C@@H](C)N[C@H](C)CCC#N ZINC000411526603 191191773 /nfs/dbraw/zinc/19/17/73/191191773.db2.gz MJWNJNHXQMVPBN-ZIAGYGMSSA-N 0 3 230.355 3.646 20 30 BHEDHN C=CCCN(C)Cc1cnc2ccc(C)cc2c1 ZINC000411614345 191196259 /nfs/dbraw/zinc/19/62/59/191196259.db2.gz HDGDFYVEGDZVAO-UHFFFAOYSA-N 0 3 240.350 3.551 20 30 BHEDHN CC(C)(CC1CCCCCC1)NCCC#N ZINC000411622392 191198455 /nfs/dbraw/zinc/19/84/55/191198455.db2.gz YQCLHTWKDIVMTE-UHFFFAOYSA-N 0 3 222.376 3.629 20 30 BHEDHN C/C(=C/c1ccccc1)CN(C)[C@H](C)CCC#N ZINC000411629207 191199661 /nfs/dbraw/zinc/19/96/61/191199661.db2.gz BNLBDCJGQYGTEZ-IKESIWSLSA-N 0 3 242.366 3.714 20 30 BHEDHN C/C(=C\c1ccccc1)CN(C)[C@H](C)CCC#N ZINC000411629209 191199186 /nfs/dbraw/zinc/19/91/86/191199186.db2.gz BNLBDCJGQYGTEZ-OKFGHLOFSA-N 0 3 242.366 3.714 20 30 BHEDHN C/C(=C\c1ccccc1)CN(C)[C@@H](C)CCC#N ZINC000411629210 191199890 /nfs/dbraw/zinc/19/98/90/191199890.db2.gz BNLBDCJGQYGTEZ-ZQHYZAEZSA-N 0 3 242.366 3.714 20 30 BHEDHN C/C(=C/c1ccccc1)CN(C)[C@@H](C)CCC#N ZINC000411629211 191199390 /nfs/dbraw/zinc/19/93/90/191199390.db2.gz BNLBDCJGQYGTEZ-ZSMUJPCHSA-N 0 3 242.366 3.714 20 30 BHEDHN C=C[C@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000411655351 191200955 /nfs/dbraw/zinc/20/09/55/191200955.db2.gz JXKGEKREBPNVLF-HNNXBMFYSA-N 0 3 246.398 3.891 20 30 BHEDHN C=C[C@@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000411655352 191201919 /nfs/dbraw/zinc/20/19/19/191201919.db2.gz JXKGEKREBPNVLF-OAHLLOKOSA-N 0 3 246.398 3.891 20 30 BHEDHN CC1=CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411675881 191204110 /nfs/dbraw/zinc/20/41/10/191204110.db2.gz QTWXNFNPNDSLSE-UHFFFAOYSA-N 0 3 232.371 3.503 20 30 BHEDHN CC1=C(C)CN(CCC2(C#N)CCCCC2)CC1 ZINC000411683455 191204977 /nfs/dbraw/zinc/20/49/77/191204977.db2.gz RHWAFQBKRNBJLL-UHFFFAOYSA-N 0 3 246.398 3.893 20 30 BHEDHN CC(C)[C@H](N[C@H](C)CCC#N)c1ccc(F)cc1 ZINC000411687175 191204436 /nfs/dbraw/zinc/20/44/36/191204436.db2.gz FONATXKCMWOUBS-DOMZBBRYSA-N 0 3 248.345 3.805 20 30 BHEDHN CC(C)[C@@H](N[C@H](C)CCC#N)c1ccc(F)cc1 ZINC000411687176 191204721 /nfs/dbraw/zinc/20/47/21/191204721.db2.gz FONATXKCMWOUBS-IUODEOHRSA-N 0 3 248.345 3.805 20 30 BHEDHN CC(C)[C@@H](N[C@@H](C)CCC#N)c1ccc(F)cc1 ZINC000411687177 191205216 /nfs/dbraw/zinc/20/52/16/191205216.db2.gz FONATXKCMWOUBS-SWLSCSKDSA-N 0 3 248.345 3.805 20 30 BHEDHN CC(C)[C@H](N[C@@H](C)CCC#N)c1ccc(F)cc1 ZINC000411687178 191205122 /nfs/dbraw/zinc/20/51/22/191205122.db2.gz FONATXKCMWOUBS-WFASDCNBSA-N 0 3 248.345 3.805 20 30 BHEDHN CCN(CCCC(C)(C)C#N)Cc1occc1C ZINC000412026286 191240069 /nfs/dbraw/zinc/24/00/69/191240069.db2.gz LDAJMVIGYNEKJT-UHFFFAOYSA-N 0 3 248.370 3.740 20 30 BHEDHN CCc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000414158941 386041953 /nfs/dbraw/zinc/04/19/53/386041953.db2.gz AUEQIBPMMYDUEN-CYBMUJFWSA-N 0 3 244.382 3.839 20 30 BHEDHN CCc1ccc([C@H](C)NCC(C)(C)CC#N)cc1 ZINC000414158942 386043842 /nfs/dbraw/zinc/04/38/42/386043842.db2.gz AUEQIBPMMYDUEN-ZDUSSCGKSA-N 0 3 244.382 3.839 20 30 BHEDHN CC[C@H](NCC(C)(C)CC#N)c1cccc(F)c1 ZINC000414159617 386046425 /nfs/dbraw/zinc/04/64/25/386046425.db2.gz BQAJCGPFCVWOGN-AWEZNQCLSA-N 0 3 248.345 3.806 20 30 BHEDHN CC[C@@H](NCC(C)(C)CC#N)c1cccc(F)c1 ZINC000414159620 386045140 /nfs/dbraw/zinc/04/51/40/386045140.db2.gz BQAJCGPFCVWOGN-CQSZACIVSA-N 0 3 248.345 3.806 20 30 BHEDHN Cc1ccsc1[C@@H](C)NCC(C)(C)CC#N ZINC000414160132 386046034 /nfs/dbraw/zinc/04/60/34/386046034.db2.gz CPDARUHQYMCWFT-LLVKDONJSA-N 0 3 236.384 3.647 20 30 BHEDHN Cc1ccsc1[C@H](C)NCC(C)(C)CC#N ZINC000414160133 386045818 /nfs/dbraw/zinc/04/58/18/386045818.db2.gz CPDARUHQYMCWFT-NSHDSACASA-N 0 3 236.384 3.647 20 30 BHEDHN C=CCC[C@@H](NCC(C)(C)CC#N)c1ccco1 ZINC000414162148 386045152 /nfs/dbraw/zinc/04/51/52/386045152.db2.gz GNRQUGVQBGCIOR-CYBMUJFWSA-N 0 3 246.354 3.816 20 30 BHEDHN C=CCC[C@H](NCC(C)(C)CC#N)c1ccco1 ZINC000414162153 386045394 /nfs/dbraw/zinc/04/53/94/386045394.db2.gz GNRQUGVQBGCIOR-ZDUSSCGKSA-N 0 3 246.354 3.816 20 30 BHEDHN Cc1ccc([C@H](C)NCC(C)(C)CC#N)cc1C ZINC000414162235 386045838 /nfs/dbraw/zinc/04/58/38/386045838.db2.gz GUKUBZHQAIXSJT-AWEZNQCLSA-N 0 3 244.382 3.894 20 30 BHEDHN Cc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1C ZINC000414162237 386045903 /nfs/dbraw/zinc/04/59/03/386045903.db2.gz GUKUBZHQAIXSJT-CQSZACIVSA-N 0 3 244.382 3.894 20 30 BHEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccsc1 ZINC000414162882 386046410 /nfs/dbraw/zinc/04/64/10/386046410.db2.gz HXCBNXSZTVBQJX-GFCCVEGCSA-N 0 3 236.384 3.729 20 30 BHEDHN CC[C@H](NCC(C)(C)CC#N)c1ccsc1 ZINC000414162883 386044705 /nfs/dbraw/zinc/04/47/05/386044705.db2.gz HXCBNXSZTVBQJX-LBPRGKRZSA-N 0 3 236.384 3.729 20 30 BHEDHN CC[C@@H](NCC(C)(C)CC#N)c1cccs1 ZINC000414165382 386047855 /nfs/dbraw/zinc/04/78/55/386047855.db2.gz LSYOQEADMWQUAW-LLVKDONJSA-N 0 3 236.384 3.729 20 30 BHEDHN CC[C@H](NCC(C)(C)CC#N)c1cccs1 ZINC000414165383 386048530 /nfs/dbraw/zinc/04/85/30/386048530.db2.gz LSYOQEADMWQUAW-NSHDSACASA-N 0 3 236.384 3.729 20 30 BHEDHN Cc1cc(C)cc([C@H](C)NCC(C)(C)CC#N)c1 ZINC000414165403 386047445 /nfs/dbraw/zinc/04/74/45/386047445.db2.gz LWRXPUMJHMOKOL-AWEZNQCLSA-N 0 3 244.382 3.894 20 30 BHEDHN Cc1cc(C)cc([C@@H](C)NCC(C)(C)CC#N)c1 ZINC000414165404 386047078 /nfs/dbraw/zinc/04/70/78/386047078.db2.gz LWRXPUMJHMOKOL-CQSZACIVSA-N 0 3 244.382 3.894 20 30 BHEDHN Cc1cccc([C@@H](C)NCC(C)(C)CC#N)c1 ZINC000414165723 386048644 /nfs/dbraw/zinc/04/86/44/386048644.db2.gz MMQRNKQDGRXGJD-CYBMUJFWSA-N 0 3 230.355 3.586 20 30 BHEDHN Cc1cccc([C@H](C)NCC(C)(C)CC#N)c1 ZINC000414165724 386047458 /nfs/dbraw/zinc/04/74/58/386047458.db2.gz MMQRNKQDGRXGJD-ZDUSSCGKSA-N 0 3 230.355 3.586 20 30 BHEDHN C[C@@H]1C[C@H](NCC(C)(C)CC#N)c2ccccc21 ZINC000414165993 386047873 /nfs/dbraw/zinc/04/78/73/386047873.db2.gz MTTMRSVRQFUGJV-DOMZBBRYSA-N 0 3 242.366 3.764 20 30 BHEDHN C[C@@H]1C[C@@H](NCC(C)(C)CC#N)c2ccccc21 ZINC000414165995 386048031 /nfs/dbraw/zinc/04/80/31/386048031.db2.gz MTTMRSVRQFUGJV-IUODEOHRSA-N 0 3 242.366 3.764 20 30 BHEDHN C[C@H]1C[C@@H](NCC(C)(C)CC#N)c2ccccc21 ZINC000414165996 386047307 /nfs/dbraw/zinc/04/73/07/386047307.db2.gz MTTMRSVRQFUGJV-SWLSCSKDSA-N 0 3 242.366 3.764 20 30 BHEDHN C[C@H]1C[C@H](NCC(C)(C)CC#N)c2ccccc21 ZINC000414165997 386048797 /nfs/dbraw/zinc/04/87/97/386048797.db2.gz MTTMRSVRQFUGJV-WFASDCNBSA-N 0 3 242.366 3.764 20 30 BHEDHN Cc1cccc2c1CC[C@@H]2NCC(C)(C)CC#N ZINC000414166310 386050019 /nfs/dbraw/zinc/05/00/19/386050019.db2.gz NGVXBIAYQARYSH-HNNXBMFYSA-N 0 3 242.366 3.512 20 30 BHEDHN Cc1cccc2c1CC[C@H]2NCC(C)(C)CC#N ZINC000414166311 386050293 /nfs/dbraw/zinc/05/02/93/386050293.db2.gz NGVXBIAYQARYSH-OAHLLOKOSA-N 0 3 242.366 3.512 20 30 BHEDHN Cc1ccccc1[C@@H](C)NCC(C)(C)CC#N ZINC000414166606 386050461 /nfs/dbraw/zinc/05/04/61/386050461.db2.gz NXQDBHQCRCGQRT-CYBMUJFWSA-N 0 3 230.355 3.586 20 30 BHEDHN Cc1ccccc1[C@H](C)NCC(C)(C)CC#N ZINC000414166607 191464182 /nfs/dbraw/zinc/46/41/82/191464182.db2.gz NXQDBHQCRCGQRT-ZDUSSCGKSA-N 0 3 230.355 3.586 20 30 BHEDHN CC(C)(CC#N)CN[C@H]1CCCc2ccccc21 ZINC000414167405 386051030 /nfs/dbraw/zinc/05/10/30/386051030.db2.gz PFAIXJASDPCQDJ-HNNXBMFYSA-N 0 3 242.366 3.593 20 30 BHEDHN CC(C)(CC#N)CN[C@@H]1CCCc2ccccc21 ZINC000414167409 386050944 /nfs/dbraw/zinc/05/09/44/386050944.db2.gz PFAIXJASDPCQDJ-OAHLLOKOSA-N 0 3 242.366 3.593 20 30 BHEDHN CC[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1 ZINC000414168991 386017043 /nfs/dbraw/zinc/01/70/43/386017043.db2.gz RGDZPHFXQOGUFV-AWEZNQCLSA-N 0 3 248.345 3.806 20 30 BHEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1 ZINC000414168992 386017355 /nfs/dbraw/zinc/01/73/55/386017355.db2.gz RGDZPHFXQOGUFV-CQSZACIVSA-N 0 3 248.345 3.806 20 30 BHEDHN Cc1ccc(C)c([C@H](C)NCC(C)(C)CC#N)c1 ZINC000414169377 386017312 /nfs/dbraw/zinc/01/73/12/386017312.db2.gz RQWOYDDGLXWCFR-AWEZNQCLSA-N 0 3 244.382 3.894 20 30 BHEDHN Cc1ccc(C)c([C@@H](C)NCC(C)(C)CC#N)c1 ZINC000414169378 386016194 /nfs/dbraw/zinc/01/61/94/386016194.db2.gz RQWOYDDGLXWCFR-CQSZACIVSA-N 0 3 244.382 3.894 20 30 BHEDHN CC[C@H](NCC(C)(C)CC#N)c1ccccc1 ZINC000414170737 191451674 /nfs/dbraw/zinc/45/16/74/191451674.db2.gz TWBJLLVHNIPWGF-AWEZNQCLSA-N 0 3 230.355 3.667 20 30 BHEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccccc1 ZINC000414170738 386017446 /nfs/dbraw/zinc/01/74/46/386017446.db2.gz TWBJLLVHNIPWGF-CQSZACIVSA-N 0 3 230.355 3.667 20 30 BHEDHN Cc1ccc([C@@H](C)NCC(C)(C)CC#N)s1 ZINC000414171485 386016569 /nfs/dbraw/zinc/01/65/69/386016569.db2.gz UZJIPTBAHQXYIC-LLVKDONJSA-N 0 3 236.384 3.647 20 30 BHEDHN Cc1ccc([C@H](C)NCC(C)(C)CC#N)s1 ZINC000414171487 386017123 /nfs/dbraw/zinc/01/71/23/386017123.db2.gz UZJIPTBAHQXYIC-NSHDSACASA-N 0 3 236.384 3.647 20 30 BHEDHN Cc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)CC2 ZINC000414171750 386017501 /nfs/dbraw/zinc/01/75/01/386017501.db2.gz VEEBQXZHKUZNNU-OAHLLOKOSA-N 0 3 242.366 3.512 20 30 BHEDHN Cc1cc([C@@H](C)NCC(C)(C)CC#N)cs1 ZINC000414171825 191452830 /nfs/dbraw/zinc/45/28/30/191452830.db2.gz VKEVYDFRSNUXBN-LLVKDONJSA-N 0 3 236.384 3.647 20 30 BHEDHN Cc1cc([C@H](C)NCC(C)(C)CC#N)cs1 ZINC000414171826 386017334 /nfs/dbraw/zinc/01/73/34/386017334.db2.gz VKEVYDFRSNUXBN-NSHDSACASA-N 0 3 236.384 3.647 20 30 BHEDHN CC(C)(CC#N)CN[C@@H]1CCCc2sccc21 ZINC000414173458 398218833 /nfs/dbraw/zinc/21/88/33/398218833.db2.gz XBNCBBFKYZJLOM-GFCCVEGCSA-N 0 3 248.395 3.655 20 30 BHEDHN CC(C)(CC#N)CN[C@H]1CCCc2sccc21 ZINC000414173461 398218940 /nfs/dbraw/zinc/21/89/40/398218940.db2.gz XBNCBBFKYZJLOM-LBPRGKRZSA-N 0 3 248.395 3.655 20 30 BHEDHN Cc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000414174300 398219684 /nfs/dbraw/zinc/21/96/84/398219684.db2.gz XXWKZBUURISJPN-CYBMUJFWSA-N 0 3 230.355 3.586 20 30 BHEDHN Cc1ccc([C@H](C)NCC(C)(C)CC#N)cc1 ZINC000414174303 398219698 /nfs/dbraw/zinc/21/96/98/398219698.db2.gz XXWKZBUURISJPN-ZDUSSCGKSA-N 0 3 230.355 3.586 20 30 BHEDHN Cc1ccc([C@H](C)NCC(C)(C)CC#N)c(C)c1 ZINC000414175783 386020178 /nfs/dbraw/zinc/02/01/78/386020178.db2.gz ZRHYSMCNJJOAEY-AWEZNQCLSA-N 0 3 244.382 3.894 20 30 BHEDHN Cc1ccc([C@@H](C)NCC(C)(C)CC#N)c(C)c1 ZINC000414175785 386020354 /nfs/dbraw/zinc/02/03/54/386020354.db2.gz ZRHYSMCNJJOAEY-CQSZACIVSA-N 0 3 244.382 3.894 20 30 BHEDHN Cc1cccc([C@H](C)NCC(C)(C)CC#N)c1C ZINC000414176001 386020158 /nfs/dbraw/zinc/02/01/58/386020158.db2.gz ZYTJVAGVAWOQBO-AWEZNQCLSA-N 0 3 244.382 3.894 20 30 BHEDHN Cc1cccc([C@@H](C)NCC(C)(C)CC#N)c1C ZINC000414176004 386020897 /nfs/dbraw/zinc/02/08/97/386020897.db2.gz ZYTJVAGVAWOQBO-CQSZACIVSA-N 0 3 244.382 3.894 20 30 BHEDHN C=C[C@H](C)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000414377477 397915009 /nfs/dbraw/zinc/91/50/09/397915009.db2.gz JFXBFMLCTXAUQC-JTQLQIEISA-N 0 3 243.272 3.678 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000414377479 397914864 /nfs/dbraw/zinc/91/48/64/397914864.db2.gz JFXBFMLCTXAUQC-SNVBAGLBSA-N 0 3 243.272 3.678 20 30 BHEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccco1 ZINC000414528217 385672185 /nfs/dbraw/zinc/67/21/85/385672185.db2.gz AMOQYXSXYQIPRK-HNNXBMFYSA-N 0 3 241.334 3.557 20 30 BHEDHN C=CC[C@H](Cc1ccccc1)NCc1ccco1 ZINC000414528218 385672709 /nfs/dbraw/zinc/67/27/09/385672709.db2.gz AMOQYXSXYQIPRK-OAHLLOKOSA-N 0 3 241.334 3.557 20 30 BHEDHN CCN(Cc1ccc(C#N)s1)C1CC(C)(C)C1 ZINC000414533933 388664406 /nfs/dbraw/zinc/66/44/06/388664406.db2.gz JFYCUPVAJHDUTC-UHFFFAOYSA-N 0 3 248.395 3.630 20 30 BHEDHN CCN(Cc1cc(C#N)cs1)C1CC(C)(C)C1 ZINC000414539129 388664807 /nfs/dbraw/zinc/66/48/07/388664807.db2.gz RPHGHYMUEAFASR-UHFFFAOYSA-N 0 3 248.395 3.630 20 30 BHEDHN CCN(Cc1occc1C)CC(C)(C)CCC#N ZINC000414547742 385726029 /nfs/dbraw/zinc/72/60/29/385726029.db2.gz IDAZCIYJGSLMNO-UHFFFAOYSA-N 0 3 248.370 3.740 20 30 BHEDHN N#CC1(CNCCC2CCCCCC2)CCC1 ZINC000418138598 397988754 /nfs/dbraw/zinc/98/87/54/397988754.db2.gz GNINLQYLZQEZGI-UHFFFAOYSA-N 0 3 234.387 3.630 20 30 BHEDHN N#CC1(CNCCCC2CCCCC2)CCC1 ZINC000418138677 397988712 /nfs/dbraw/zinc/98/87/12/397988712.db2.gz GVUIWJQVQQESEQ-UHFFFAOYSA-N 0 3 234.387 3.630 20 30 BHEDHN N#CC1(CNC2CCC3(CCCC3)CC2)CCC1 ZINC000418140631 387164736 /nfs/dbraw/zinc/16/47/36/387164736.db2.gz JUTXGQZDWQRZGS-UHFFFAOYSA-N 0 3 246.398 3.773 20 30 BHEDHN N#CC1(CN[C@H]2CCCC23CCCCC3)CCC1 ZINC000418141825 387164858 /nfs/dbraw/zinc/16/48/58/387164858.db2.gz MBBRBQFICCZEGT-AWEZNQCLSA-N 0 3 246.398 3.773 20 30 BHEDHN N#CC1(CN[C@@H]2CCCC23CCCCC3)CCC1 ZINC000418141828 387164580 /nfs/dbraw/zinc/16/45/80/387164580.db2.gz MBBRBQFICCZEGT-CQSZACIVSA-N 0 3 246.398 3.773 20 30 BHEDHN C[C@@H](NCC1(C#N)CCC1)C1CCCCCC1 ZINC000418142198 387165304 /nfs/dbraw/zinc/16/53/04/387165304.db2.gz MHKGGKNLZIRUPL-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@H](NCC1(C#N)CCC1)C1CCCCCC1 ZINC000418142201 387163699 /nfs/dbraw/zinc/16/36/99/387163699.db2.gz MHKGGKNLZIRUPL-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN CC(C)CC(CC(C)C)NCC1(C#N)CCC1 ZINC000418142727 387164107 /nfs/dbraw/zinc/16/41/07/387164107.db2.gz NOSTYESYTKTURP-UHFFFAOYSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)C[C@H](C)C[C@H](C)NCC1(C#N)CCC1 ZINC000418143087 387164337 /nfs/dbraw/zinc/16/43/37/387164337.db2.gz OSABQXLBYZBOOP-KBPBESRZSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)C[C@@H](C)C[C@H](C)NCC1(C#N)CCC1 ZINC000418143088 387163867 /nfs/dbraw/zinc/16/38/67/387163867.db2.gz OSABQXLBYZBOOP-KGLIPLIRSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)C[C@H](C)C[C@@H](C)NCC1(C#N)CCC1 ZINC000418143089 387164262 /nfs/dbraw/zinc/16/42/62/387164262.db2.gz OSABQXLBYZBOOP-UONOGXRCSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)C[C@@H](C)C[C@@H](C)NCC1(C#N)CCC1 ZINC000418143090 387165553 /nfs/dbraw/zinc/16/55/53/387165553.db2.gz OSABQXLBYZBOOP-ZIAGYGMSSA-N 0 3 236.403 3.731 20 30 BHEDHN CCCC1CCC(NCC2(C#N)CCC2)CC1 ZINC000418143096 387163660 /nfs/dbraw/zinc/16/36/60/387163660.db2.gz OSXXWUCDCCFHQP-UHFFFAOYSA-N 0 3 234.387 3.629 20 30 BHEDHN CCC[C@H](NCC1(C#N)CCC1)C1CCCC1 ZINC000418143121 387165582 /nfs/dbraw/zinc/16/55/82/387165582.db2.gz OXQJMAMGOADNMT-AWEZNQCLSA-N 0 3 234.387 3.629 20 30 BHEDHN CCC[C@@H](NCC1(C#N)CCC1)C1CCCC1 ZINC000418143122 387165697 /nfs/dbraw/zinc/16/56/97/387165697.db2.gz OXQJMAMGOADNMT-CQSZACIVSA-N 0 3 234.387 3.629 20 30 BHEDHN CCC1(C)CCC(NCC2(C#N)CCC2)CC1 ZINC000418144303 387167490 /nfs/dbraw/zinc/16/74/90/387167490.db2.gz SLLYVWQUGOITEF-UHFFFAOYSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@H](CCC1CCCC1)NCC1(C#N)CCC1 ZINC000418144680 387168102 /nfs/dbraw/zinc/16/81/02/387168102.db2.gz UPBJSFVZYBSRPK-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@@H](CCC1CCCC1)NCC1(C#N)CCC1 ZINC000418144681 387166851 /nfs/dbraw/zinc/16/68/51/387166851.db2.gz UPBJSFVZYBSRPK-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@@H](NCCCC#N)c1ccc(C2CC2)cc1 ZINC000419339631 192124489 /nfs/dbraw/zinc/12/44/89/192124489.db2.gz MFZRTSNTRPLKRF-GFCCVEGCSA-N 0 3 228.339 3.518 20 30 BHEDHN C[C@H](NCCCC#N)c1ccc(C2CC2)cc1 ZINC000419339632 192124338 /nfs/dbraw/zinc/12/43/38/192124338.db2.gz MFZRTSNTRPLKRF-LBPRGKRZSA-N 0 3 228.339 3.518 20 30 BHEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000419341248 192125506 /nfs/dbraw/zinc/12/55/06/192125506.db2.gz ODNQSUHZDFRMDV-CHWSQXEVSA-N 0 3 242.366 3.907 20 30 BHEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419341249 192125391 /nfs/dbraw/zinc/12/53/91/192125391.db2.gz ODNQSUHZDFRMDV-OLZOCXBDSA-N 0 3 242.366 3.907 20 30 BHEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(C2CC2)cc1 ZINC000419341250 192126013 /nfs/dbraw/zinc/12/60/13/192126013.db2.gz ODNQSUHZDFRMDV-QWHCGFSZSA-N 0 3 242.366 3.907 20 30 BHEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419341251 192125951 /nfs/dbraw/zinc/12/59/51/192125951.db2.gz ODNQSUHZDFRMDV-STQMWFEESA-N 0 3 242.366 3.907 20 30 BHEDHN C=C(CC)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420950043 192276777 /nfs/dbraw/zinc/27/67/77/192276777.db2.gz PKRIIZPEWXDRJS-LLVKDONJSA-N 0 3 235.293 3.617 20 30 BHEDHN C=C(CC)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420950044 192275469 /nfs/dbraw/zinc/27/54/69/192275469.db2.gz PKRIIZPEWXDRJS-NSHDSACASA-N 0 3 235.293 3.617 20 30 BHEDHN C=C(C)CN[C@H](CC(F)F)c1ccccc1 ZINC000420989761 192291772 /nfs/dbraw/zinc/29/17/72/192291772.db2.gz YVGFSXIDUUGVBL-GFCCVEGCSA-N 0 3 225.282 3.549 20 30 BHEDHN C=C(C)CN[C@@H](CC(F)F)c1ccccc1 ZINC000420989762 192291440 /nfs/dbraw/zinc/29/14/40/192291440.db2.gz YVGFSXIDUUGVBL-LBPRGKRZSA-N 0 3 225.282 3.549 20 30 BHEDHN C=C(CC)CN[C@H](CC(F)F)c1ccccc1 ZINC000421001474 192296223 /nfs/dbraw/zinc/29/62/23/192296223.db2.gz WZPINCUWMSSQPX-CYBMUJFWSA-N 0 3 239.309 3.939 20 30 BHEDHN C=C(CC)CN[C@@H](CC(F)F)c1ccccc1 ZINC000421001475 192296853 /nfs/dbraw/zinc/29/68/53/192296853.db2.gz WZPINCUWMSSQPX-ZDUSSCGKSA-N 0 3 239.309 3.939 20 30 BHEDHN CC(C)N(CCCC#N)[C@H](C)c1ccsc1 ZINC000421008423 192300004 /nfs/dbraw/zinc/30/00/04/192300004.db2.gz MGAYNXDEYLHAHI-GFCCVEGCSA-N 0 3 236.384 3.823 20 30 BHEDHN CC(C)N(CCCC#N)[C@@H](C)c1ccsc1 ZINC000421008429 192299301 /nfs/dbraw/zinc/29/93/01/192299301.db2.gz MGAYNXDEYLHAHI-LBPRGKRZSA-N 0 3 236.384 3.823 20 30 BHEDHN C=CCN(C(C)C)[C@H](C)c1ccsc1 ZINC000421008993 192299633 /nfs/dbraw/zinc/29/96/33/192299633.db2.gz MQLMOVJYNVIPRE-LLVKDONJSA-N 0 3 209.358 3.706 20 30 BHEDHN C=CCN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421009010 192300745 /nfs/dbraw/zinc/30/07/45/192300745.db2.gz MQLMOVJYNVIPRE-NSHDSACASA-N 0 3 209.358 3.706 20 30 BHEDHN CC#CCN(C(C)C)[C@H](C)c1ccsc1 ZINC000421011801 192299896 /nfs/dbraw/zinc/29/98/96/192299896.db2.gz PLYWVAAVMXVHQE-GFCCVEGCSA-N 0 3 221.369 3.543 20 30 BHEDHN CC#CCN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421011802 192299328 /nfs/dbraw/zinc/29/93/28/192299328.db2.gz PLYWVAAVMXVHQE-LBPRGKRZSA-N 0 3 221.369 3.543 20 30 BHEDHN CC(C)(CC#N)CNCc1cccc(C2CC2)c1 ZINC000421375216 192322405 /nfs/dbraw/zinc/32/24/05/192322405.db2.gz CDJSKSKUIBXOAL-UHFFFAOYSA-N 0 3 242.366 3.593 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(Cl)cc1OC ZINC000421832892 192391437 /nfs/dbraw/zinc/39/14/37/192391437.db2.gz GSGFKZFMLFXZOY-NXEZZACHSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(Cl)cc1OC ZINC000421832893 192391372 /nfs/dbraw/zinc/39/13/72/192391372.db2.gz GSGFKZFMLFXZOY-UWVGGRQHSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(Cl)cc1OC ZINC000421832895 192391017 /nfs/dbraw/zinc/39/10/17/192391017.db2.gz GSGFKZFMLFXZOY-VHSXEESVSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1OC ZINC000421832897 192390925 /nfs/dbraw/zinc/39/09/25/192390925.db2.gz GSGFKZFMLFXZOY-ZJUUUORDSA-N 0 3 239.746 3.574 20 30 BHEDHN C=CCCCCN[C@H](C)c1ccncc1Cl ZINC000421845471 192393206 /nfs/dbraw/zinc/39/32/06/192393206.db2.gz XIEIQYGPEBVJSL-LLVKDONJSA-N 0 3 238.762 3.742 20 30 BHEDHN C=CCCCCN[C@@H](C)c1ccncc1Cl ZINC000421845473 192392860 /nfs/dbraw/zinc/39/28/60/192392860.db2.gz XIEIQYGPEBVJSL-NSHDSACASA-N 0 3 238.762 3.742 20 30 BHEDHN C=CC(C)(C)CN[C@@H](C)c1ccncc1Cl ZINC000421855341 192389317 /nfs/dbraw/zinc/38/93/17/192389317.db2.gz MIHUCQJMUKAQLT-JTQLQIEISA-N 0 3 238.762 3.598 20 30 BHEDHN C=CC(C)(C)CN[C@H](C)c1ccncc1Cl ZINC000421855342 192389367 /nfs/dbraw/zinc/38/93/67/192389367.db2.gz MIHUCQJMUKAQLT-SNVBAGLBSA-N 0 3 238.762 3.598 20 30 BHEDHN C=CC[C@@H](CC)N[C@H](C)c1ccncc1Cl ZINC000421862578 192396602 /nfs/dbraw/zinc/39/66/02/192396602.db2.gz XIMAOPUYTCVSMQ-GHMZBOCLSA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@H](CC)N[C@H](C)c1ccncc1Cl ZINC000421862601 192395996 /nfs/dbraw/zinc/39/59/96/192395996.db2.gz XIMAOPUYTCVSMQ-MNOVXSKESA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@H](CC)N[C@@H](C)c1ccncc1Cl ZINC000421862602 192395912 /nfs/dbraw/zinc/39/59/12/192395912.db2.gz XIMAOPUYTCVSMQ-QWRGUYRKSA-N 0 3 238.762 3.740 20 30 BHEDHN C=CC[C@@H](CC)N[C@@H](C)c1ccncc1Cl ZINC000421862603 192395934 /nfs/dbraw/zinc/39/59/34/192395934.db2.gz XIMAOPUYTCVSMQ-WDEREUQCSA-N 0 3 238.762 3.740 20 30 BHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000424116378 387558997 /nfs/dbraw/zinc/55/89/97/387558997.db2.gz BJYBFQXBLPPUQZ-UHIISALHSA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000424116895 387558269 /nfs/dbraw/zinc/55/82/69/387558269.db2.gz BXPFCRJRTNJABF-GRYCIOLGSA-N 0 3 248.757 3.683 20 30 BHEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000424129649 206033069 /nfs/dbraw/zinc/03/30/69/206033069.db2.gz SJFNTXFMHPPIAK-GLQYFDAESA-N 0 3 246.329 3.559 20 30 BHEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000424129655 206033485 /nfs/dbraw/zinc/03/34/85/206033485.db2.gz SJFNTXFMHPPIAK-NILFDRSVSA-N 0 3 246.329 3.559 20 30 BHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000424131884 206031928 /nfs/dbraw/zinc/03/19/28/206031928.db2.gz VSBRGSYOUDXVEW-UHIISALHSA-N 0 3 248.757 3.683 20 30 BHEDHN Cc1ccc(C)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424135682 387656238 /nfs/dbraw/zinc/65/62/38/387656238.db2.gz ZRQITGVJWLGOLV-QLFBSQMISA-N 0 3 242.366 3.646 20 30 BHEDHN Cc1ccc(C)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424135703 387655465 /nfs/dbraw/zinc/65/54/65/387655465.db2.gz ZRQITGVJWLGOLV-SOUVJXGZSA-N 0 3 242.366 3.646 20 30 BHEDHN CC(C)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424190745 411245558 /nfs/dbraw/zinc/24/55/58/411245558.db2.gz GHYOVYPUKXISEG-GOEBONIOSA-N 0 3 242.366 3.592 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC)cc1Cl ZINC000424281333 387950929 /nfs/dbraw/zinc/95/09/29/387950929.db2.gz ILPFZHNTQBVKCO-NXEZZACHSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424281335 387951064 /nfs/dbraw/zinc/95/10/64/387951064.db2.gz ILPFZHNTQBVKCO-UWVGGRQHSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC)cc1Cl ZINC000424281336 387950843 /nfs/dbraw/zinc/95/08/43/387950843.db2.gz ILPFZHNTQBVKCO-VHSXEESVSA-N 0 3 239.746 3.574 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424281338 387951240 /nfs/dbraw/zinc/95/12/40/387951240.db2.gz ILPFZHNTQBVKCO-ZJUUUORDSA-N 0 3 239.746 3.574 20 30 BHEDHN CCc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424316744 387967896 /nfs/dbraw/zinc/96/78/96/387967896.db2.gz BHUGOTIGLGWJCK-IVMMDQJWSA-N 0 3 242.366 3.592 20 30 BHEDHN C=CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000424317274 387967940 /nfs/dbraw/zinc/96/79/40/387967940.db2.gz BQQDFEWYLXQAIF-BFHYXJOUSA-N 0 3 244.338 3.569 20 30 BHEDHN C=CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000424317275 387967679 /nfs/dbraw/zinc/96/76/79/387967679.db2.gz BQQDFEWYLXQAIF-MJBXVCDLSA-N 0 3 244.338 3.569 20 30 BHEDHN CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000424317520 387968357 /nfs/dbraw/zinc/96/83/57/387968357.db2.gz BZPDSGKTNIGQQL-IACUBPJLSA-N 0 3 248.395 3.871 20 30 BHEDHN CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000424317521 387967702 /nfs/dbraw/zinc/96/77/02/387967702.db2.gz BZPDSGKTNIGQQL-YUTCNCBUSA-N 0 3 248.395 3.871 20 30 BHEDHN Cc1cccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1C ZINC000424320617 387969832 /nfs/dbraw/zinc/96/98/32/387969832.db2.gz GARRVQQRUQPECS-QLFBSQMISA-N 0 3 242.366 3.646 20 30 BHEDHN C[C@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424321678 387969064 /nfs/dbraw/zinc/96/90/64/387969064.db2.gz HPZUUUOPYYBURE-BCUIYNNISA-N 0 3 240.350 3.517 20 30 BHEDHN C[C@@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424321679 387968997 /nfs/dbraw/zinc/96/89/97/387968997.db2.gz HPZUUUOPYYBURE-IATRGZMQSA-N 0 3 240.350 3.517 20 30 BHEDHN C[C@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424321680 387968833 /nfs/dbraw/zinc/96/88/33/387968833.db2.gz HPZUUUOPYYBURE-JFILPPLUSA-N 0 3 240.350 3.517 20 30 BHEDHN C[C@@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000424321681 387968954 /nfs/dbraw/zinc/96/89/54/387968954.db2.gz HPZUUUOPYYBURE-OQMKEHIESA-N 0 3 240.350 3.517 20 30 BHEDHN CCc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424324982 387973727 /nfs/dbraw/zinc/97/37/27/387973727.db2.gz KOFDYTYTKVWHLP-GRYCIOLGSA-N 0 3 248.395 3.653 20 30 BHEDHN CCc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424324984 387973948 /nfs/dbraw/zinc/97/39/48/387973948.db2.gz KOFDYTYTKVWHLP-SDDRHHMPSA-N 0 3 248.395 3.653 20 30 BHEDHN Cc1cc(C)cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424325428 387973660 /nfs/dbraw/zinc/97/36/60/387973660.db2.gz KSNUMAYDEFRHEJ-IJEWVQPXSA-N 0 3 242.366 3.646 20 30 BHEDHN Cc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000424325504 387973132 /nfs/dbraw/zinc/97/31/32/387973132.db2.gz LEUGCIQZFYHLKX-QLFBSQMISA-N 0 3 242.366 3.646 20 30 BHEDHN C=CCC[C@H](C)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424325520 387973436 /nfs/dbraw/zinc/97/34/36/387973436.db2.gz NSOCTSUHDWICBJ-AEGPPILISA-N 0 3 233.330 3.568 20 30 BHEDHN C=CCC[C@H](C)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424325521 387973322 /nfs/dbraw/zinc/97/33/22/387973322.db2.gz NSOCTSUHDWICBJ-CFVMTHIKSA-N 0 3 233.330 3.568 20 30 BHEDHN C=CCC[C@H](C)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424325522 387973669 /nfs/dbraw/zinc/97/36/69/387973669.db2.gz NSOCTSUHDWICBJ-NWANDNLSSA-N 0 3 233.330 3.568 20 30 BHEDHN C=CCC[C@H](C)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424325523 387973986 /nfs/dbraw/zinc/97/39/86/387973986.db2.gz NSOCTSUHDWICBJ-QEJZJMRPSA-N 0 3 233.330 3.568 20 30 BHEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000424328008 359728622 /nfs/dbraw/zinc/72/86/22/359728622.db2.gz NPJFTHCZKCNCLA-YWPYICTPSA-N 0 3 246.329 3.559 20 30 BHEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000424328009 359728367 /nfs/dbraw/zinc/72/83/67/359728367.db2.gz NPJFTHCZKCNCLA-ZOWXZIJZSA-N 0 3 246.329 3.559 20 30 BHEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 ZINC000424329102 206037465 /nfs/dbraw/zinc/03/74/65/206037465.db2.gz OZMXGOBKPGSDBJ-GLQYFDAESA-N 0 3 246.329 3.559 20 30 BHEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 ZINC000424329103 206036858 /nfs/dbraw/zinc/03/68/58/206036858.db2.gz OZMXGOBKPGSDBJ-NILFDRSVSA-N 0 3 246.329 3.559 20 30 BHEDHN Cc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)s1 ZINC000424333073 387976769 /nfs/dbraw/zinc/97/67/69/387976769.db2.gz UFGCPSZLDUIPKK-KGYLQXTDSA-N 0 3 248.395 3.708 20 30 BHEDHN Cc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000424333530 387977785 /nfs/dbraw/zinc/97/77/85/387977785.db2.gz UMAAUMOYRRDROD-IJEWVQPXSA-N 0 3 242.366 3.646 20 30 BHEDHN C=CCCCCCN(C)Cc1cncn1C(C)C ZINC000425338468 398214700 /nfs/dbraw/zinc/21/47/00/398214700.db2.gz PTBABKBJXZIMSO-UHFFFAOYSA-N 0 3 249.402 3.642 20 30 BHEDHN CC(C)=CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425366340 388704148 /nfs/dbraw/zinc/70/41/48/388704148.db2.gz PKEZJGQZZUEQEX-CYBMUJFWSA-N 0 3 228.339 3.517 20 30 BHEDHN CC(C)=CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425366342 388704428 /nfs/dbraw/zinc/70/44/28/388704428.db2.gz PKEZJGQZZUEQEX-ZDUSSCGKSA-N 0 3 228.339 3.517 20 30 BHEDHN C[C@@H](c1cccc(C#N)c1)N(C)[C@H]1C=CCCC1 ZINC000425530045 388706761 /nfs/dbraw/zinc/70/67/61/388706761.db2.gz DETYLLHFGJXFMW-BBRMVZONSA-N 0 3 240.350 3.660 20 30 BHEDHN C[C@H](c1cccc(C#N)c1)N(C)[C@H]1C=CCCC1 ZINC000425530046 388707037 /nfs/dbraw/zinc/70/70/37/388707037.db2.gz DETYLLHFGJXFMW-CJNGLKHVSA-N 0 3 240.350 3.660 20 30 BHEDHN C[C@H](c1cccc(C#N)c1)N(C)[C@@H]1C=CCCC1 ZINC000425530047 388706962 /nfs/dbraw/zinc/70/69/62/388706962.db2.gz DETYLLHFGJXFMW-CZUORRHYSA-N 0 3 240.350 3.660 20 30 BHEDHN C[C@@H](c1cccc(C#N)c1)N(C)[C@@H]1C=CCCC1 ZINC000425530048 388706498 /nfs/dbraw/zinc/70/64/98/388706498.db2.gz DETYLLHFGJXFMW-XJKSGUPXSA-N 0 3 240.350 3.660 20 30 BHEDHN C=C(CC)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425543079 386520680 /nfs/dbraw/zinc/52/06/80/386520680.db2.gz ZASUBQKAPJPPPF-CYBMUJFWSA-N 0 3 228.339 3.517 20 30 BHEDHN C=C(CC)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425543083 386520737 /nfs/dbraw/zinc/52/07/37/386520737.db2.gz ZASUBQKAPJPPPF-ZDUSSCGKSA-N 0 3 228.339 3.517 20 30 BHEDHN N#CCCN[C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000425976429 635657830 /nfs/dbraw/zinc/65/78/30/635657830.db2.gz GLHCXJQNQQMIOS-CVEARBPZSA-N 0 3 242.366 3.606 20 30 BHEDHN N#CCCN[C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000425976430 635657766 /nfs/dbraw/zinc/65/77/66/635657766.db2.gz GLHCXJQNQQMIOS-HOTGVXAUSA-N 0 3 242.366 3.606 20 30 BHEDHN N#CCCN[C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000425976431 635656480 /nfs/dbraw/zinc/65/64/80/635656480.db2.gz GLHCXJQNQQMIOS-HZPDHXFCSA-N 0 3 242.366 3.606 20 30 BHEDHN N#CCCN[C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000425976432 635655607 /nfs/dbraw/zinc/65/56/07/635655607.db2.gz GLHCXJQNQQMIOS-JKSUJKDBSA-N 0 3 242.366 3.606 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426060822 386644185 /nfs/dbraw/zinc/64/41/85/386644185.db2.gz SDOTWKBJNGWNIS-NEPJUHHUSA-N 0 3 229.323 3.966 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426060823 386644049 /nfs/dbraw/zinc/64/40/49/386644049.db2.gz SDOTWKBJNGWNIS-NWDGAFQWSA-N 0 3 229.323 3.966 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426060824 386644016 /nfs/dbraw/zinc/64/40/16/386644016.db2.gz SDOTWKBJNGWNIS-RYUDHWBXSA-N 0 3 229.323 3.966 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426060825 386642982 /nfs/dbraw/zinc/64/29/82/386642982.db2.gz SDOTWKBJNGWNIS-VXGBXAGGSA-N 0 3 229.323 3.966 20 30 BHEDHN Cc1ccc2cc([C@@H](C)NCCCC#N)oc2c1 ZINC000426077336 219923670 /nfs/dbraw/zinc/92/36/70/219923670.db2.gz LMVOFLRFBMSRAK-GFCCVEGCSA-N 0 3 242.322 3.696 20 30 BHEDHN Cc1ccc2cc([C@H](C)NCCCC#N)oc2c1 ZINC000426077625 386651531 /nfs/dbraw/zinc/65/15/31/386651531.db2.gz LMVOFLRFBMSRAK-LBPRGKRZSA-N 0 3 242.322 3.696 20 30 BHEDHN C=C(C)CN(C)Cc1ccc2nc(C)sc2c1 ZINC000426355382 387557855 /nfs/dbraw/zinc/55/78/55/387557855.db2.gz ZTHZLJZPZJPRIR-UHFFFAOYSA-N 0 3 246.379 3.613 20 30 BHEDHN CC(C)[C@@H](C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000426357160 387558073 /nfs/dbraw/zinc/55/80/73/387558073.db2.gz OTQXTZYWIRDMKQ-CYBMUJFWSA-N 0 3 249.785 3.668 20 30 BHEDHN CC(C)[C@H](C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000426357161 387558548 /nfs/dbraw/zinc/55/85/48/387558548.db2.gz OTQXTZYWIRDMKQ-ZDUSSCGKSA-N 0 3 249.785 3.668 20 30 BHEDHN Clc1ccc(C#CCN2CCCCCC2)cc1 ZINC000426378439 200982426 /nfs/dbraw/zinc/98/24/26/200982426.db2.gz GODNIKDQVYZBKG-UHFFFAOYSA-N 0 3 247.769 3.568 20 30 BHEDHN CCC[C@@H](C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000426387384 387562220 /nfs/dbraw/zinc/56/22/20/387562220.db2.gz ABJNRQNUANLHRC-CYBMUJFWSA-N 0 3 249.785 3.812 20 30 BHEDHN CCC[C@H](C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000426387385 387563019 /nfs/dbraw/zinc/56/30/19/387563019.db2.gz ABJNRQNUANLHRC-ZDUSSCGKSA-N 0 3 249.785 3.812 20 30 BHEDHN C[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000426403882 387565122 /nfs/dbraw/zinc/56/51/22/387565122.db2.gz XSVWPVLZUBBELW-CYBMUJFWSA-N 0 3 247.769 3.566 20 30 BHEDHN C[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000426403883 200984883 /nfs/dbraw/zinc/98/48/83/200984883.db2.gz XSVWPVLZUBBELW-ZDUSSCGKSA-N 0 3 247.769 3.566 20 30 BHEDHN C=C(C)CN(CC)CC#Cc1ccc(Cl)cc1 ZINC000426408090 387565892 /nfs/dbraw/zinc/56/58/92/387565892.db2.gz BKHSIKRTJWKODB-UHFFFAOYSA-N 0 3 247.769 3.590 20 30 BHEDHN CC1(C)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000426437115 384808446 /nfs/dbraw/zinc/80/84/46/384808446.db2.gz UZAPDCYVWZSWQV-UHFFFAOYSA-N 0 3 247.769 3.566 20 30 BHEDHN CN(CC#Cc1ccc(Cl)cc1)CC(C)(C)C ZINC000426468478 387572282 /nfs/dbraw/zinc/57/22/82/387572282.db2.gz MTDNEIIVOLYRBP-UHFFFAOYSA-N 0 3 249.785 3.669 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1sccc1C ZINC000426557172 206051613 /nfs/dbraw/zinc/05/16/13/206051613.db2.gz QIWTWOHKYBRJIJ-GFCCVEGCSA-N 0 3 221.369 3.597 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1sccc1C ZINC000426557173 206051192 /nfs/dbraw/zinc/05/11/92/206051192.db2.gz QIWTWOHKYBRJIJ-LBPRGKRZSA-N 0 3 221.369 3.597 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccc(C)c(OC)c1 ZINC000426560190 206050294 /nfs/dbraw/zinc/05/02/94/206050294.db2.gz OWHSHJRAJHCOPE-HNNXBMFYSA-N 0 3 245.366 3.544 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccc(C)c(OC)c1 ZINC000426560191 206051050 /nfs/dbraw/zinc/05/10/50/206051050.db2.gz OWHSHJRAJHCOPE-OAHLLOKOSA-N 0 3 245.366 3.544 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccc(C)s1 ZINC000426562385 191096779 /nfs/dbraw/zinc/09/67/79/191096779.db2.gz RTUYPVDWLFOTTC-GFCCVEGCSA-N 0 3 221.369 3.597 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccc(C)s1 ZINC000426562386 191097089 /nfs/dbraw/zinc/09/70/89/191097089.db2.gz RTUYPVDWLFOTTC-LBPRGKRZSA-N 0 3 221.369 3.597 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1cccc(OCC)c1 ZINC000426565926 206051651 /nfs/dbraw/zinc/05/16/51/206051651.db2.gz PUOZTAZBNHOEOG-HNNXBMFYSA-N 0 3 245.366 3.626 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1cccc(OCC)c1 ZINC000426565927 206052163 /nfs/dbraw/zinc/05/21/63/206052163.db2.gz PUOZTAZBNHOEOG-OAHLLOKOSA-N 0 3 245.366 3.626 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccc(OC)c(C)c1 ZINC000426572693 206050411 /nfs/dbraw/zinc/05/04/11/206050411.db2.gz FZUZKZCBHSNJIX-HNNXBMFYSA-N 0 3 245.366 3.544 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccc(OC)c(C)c1 ZINC000426572694 206051212 /nfs/dbraw/zinc/05/12/12/206051212.db2.gz FZUZKZCBHSNJIX-OAHLLOKOSA-N 0 3 245.366 3.544 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1coc2ccccc12 ZINC000426578368 206052046 /nfs/dbraw/zinc/05/20/46/206052046.db2.gz HZDIPTVTPPCVNI-AWEZNQCLSA-N 0 3 241.334 3.973 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1coc2ccccc12 ZINC000426578369 206050508 /nfs/dbraw/zinc/05/05/08/206050508.db2.gz HZDIPTVTPPCVNI-CQSZACIVSA-N 0 3 241.334 3.973 20 30 BHEDHN CC[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000426995160 191051871 /nfs/dbraw/zinc/05/18/71/191051871.db2.gz NDDFKMOGHBAXQN-HNNXBMFYSA-N 0 3 247.769 3.566 20 30 BHEDHN CC[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000426995161 191052172 /nfs/dbraw/zinc/05/21/72/191052172.db2.gz NDDFKMOGHBAXQN-OAHLLOKOSA-N 0 3 247.769 3.566 20 30 BHEDHN C=CCCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000426999634 191051380 /nfs/dbraw/zinc/05/13/80/191051380.db2.gz LKUWNSGWFUDJEQ-UHFFFAOYSA-N 0 3 247.769 3.590 20 30 BHEDHN CCN(CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000427001443 191051643 /nfs/dbraw/zinc/05/16/43/191051643.db2.gz SPRLZZPLGQFGLW-UHFFFAOYSA-N 0 3 247.769 3.566 20 30 BHEDHN CCN(CC#Cc1ccc(Cl)cc1)CC(C)C ZINC000427024014 191051000 /nfs/dbraw/zinc/05/10/00/191051000.db2.gz QRJUZAPCNYWQDE-UHFFFAOYSA-N 0 3 249.785 3.669 20 30 BHEDHN C=CC1CCN(Cc2oc(C(C)C)nc2C)CC1 ZINC000428210350 201002070 /nfs/dbraw/zinc/00/20/70/201002070.db2.gz IKXOBNWKPUBKSZ-UHFFFAOYSA-N 0 3 248.370 3.504 20 30 BHEDHN C=CCCCN(C)Cc1oc(C(C)C)nc1C ZINC000428224640 206055458 /nfs/dbraw/zinc/05/54/58/206055458.db2.gz AJZMFLMPWJYZQG-UHFFFAOYSA-N 0 3 236.359 3.504 20 30 BHEDHN C=CCCCCCN(C)[C@@H](C)c1cnc(C)cn1 ZINC000428238962 206056710 /nfs/dbraw/zinc/05/67/10/206056710.db2.gz ACXYGLYKQPXNPA-AWEZNQCLSA-N 0 3 247.386 3.524 20 30 BHEDHN C=CCCCCCN(C)[C@H](C)c1cnc(C)cn1 ZINC000428238963 206055837 /nfs/dbraw/zinc/05/58/37/206055837.db2.gz ACXYGLYKQPXNPA-CQSZACIVSA-N 0 3 247.386 3.524 20 30 BHEDHN CC[C@@H](C)CN(CC)Cc1cccc(F)c1C#N ZINC000428241319 206055347 /nfs/dbraw/zinc/05/53/47/206055347.db2.gz SREQVMISZWHSHE-GFCCVEGCSA-N 0 3 248.345 3.565 20 30 BHEDHN CC[C@H](C)CN(CC)Cc1cccc(F)c1C#N ZINC000428241320 206055473 /nfs/dbraw/zinc/05/54/73/206055473.db2.gz SREQVMISZWHSHE-LBPRGKRZSA-N 0 3 248.345 3.565 20 30 BHEDHN C=C(C)CN(C)C[C@H](OC(C)C)c1ccccc1 ZINC000428318989 201010260 /nfs/dbraw/zinc/01/02/60/201010260.db2.gz NLEZBURSGGSFPY-INIZCTEOSA-N 0 3 247.382 3.661 20 30 BHEDHN C=C(C)CN(C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428318990 201009849 /nfs/dbraw/zinc/00/98/49/201009849.db2.gz NLEZBURSGGSFPY-MRXNPFEDSA-N 0 3 247.382 3.661 20 30 BHEDHN CC[C@H](NCc1cccc(F)c1C#N)C(C)(C)C ZINC000428352391 201010615 /nfs/dbraw/zinc/01/06/15/201010615.db2.gz LBJZFFNZEXLAGX-AWEZNQCLSA-N 0 3 248.345 3.612 20 30 BHEDHN CC[C@@H](NCc1cccc(F)c1C#N)C(C)(C)C ZINC000428352392 201011794 /nfs/dbraw/zinc/01/17/94/201011794.db2.gz LBJZFFNZEXLAGX-CQSZACIVSA-N 0 3 248.345 3.612 20 30 BHEDHN CCC(CC)(CC)NCc1cccc(F)c1C#N ZINC000428369525 201010750 /nfs/dbraw/zinc/01/07/50/201010750.db2.gz JFLSVOPOXPELIP-UHFFFAOYSA-N 0 3 248.345 3.756 20 30 BHEDHN C=CCN(C)Cc1cccc(OC2CCCC2)c1 ZINC000428372518 201011115 /nfs/dbraw/zinc/01/11/15/201011115.db2.gz LOOQHPJTUNYMBC-UHFFFAOYSA-N 0 3 245.366 3.626 20 30 BHEDHN C=CCN(C)Cc1ccc(C(C)(C)C)s1 ZINC000428378561 201011064 /nfs/dbraw/zinc/01/10/64/201011064.db2.gz AHZOWPDYPCTXOH-UHFFFAOYSA-N 0 3 223.385 3.663 20 30 BHEDHN C=CCN(C)Cc1c(C)cc(Cl)cc1C ZINC000428391990 201013818 /nfs/dbraw/zinc/01/38/18/201013818.db2.gz RXUCGEWIRWHUCB-UHFFFAOYSA-N 0 3 223.747 3.575 20 30 BHEDHN C=CCN(C)Cc1cc2cc(C)c(C)cc2o1 ZINC000428396957 201014077 /nfs/dbraw/zinc/01/40/77/201014077.db2.gz DZLGZPGTJYSVJG-UHFFFAOYSA-N 0 3 229.323 3.667 20 30 BHEDHN CC(C)CN(Cc1cccc(F)c1C#N)C(C)C ZINC000428446129 201017195 /nfs/dbraw/zinc/01/71/95/201017195.db2.gz JWRWBTYMBPDCIU-UHFFFAOYSA-N 0 3 248.345 3.564 20 30 BHEDHN CCCN(Cc1cccc(F)c1C#N)CC(C)C ZINC000428464356 201022066 /nfs/dbraw/zinc/02/20/66/201022066.db2.gz VHCADUUWWGXXQF-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN CCN(Cc1cccc(F)c1C#N)[C@H](C)C(C)C ZINC000428469287 201021933 /nfs/dbraw/zinc/02/19/33/201021933.db2.gz TXUNZPBSGVUJBI-GFCCVEGCSA-N 0 3 248.345 3.564 20 30 BHEDHN CCN(Cc1cccc(F)c1C#N)[C@@H](C)C(C)C ZINC000428469288 201021279 /nfs/dbraw/zinc/02/12/79/201021279.db2.gz TXUNZPBSGVUJBI-LBPRGKRZSA-N 0 3 248.345 3.564 20 30 BHEDHN C=CCCN(C)C[C@H](OC(C)C)c1ccccc1 ZINC000428498854 384748946 /nfs/dbraw/zinc/74/89/46/384748946.db2.gz XOYHZJWMRZEJSN-INIZCTEOSA-N 0 3 247.382 3.661 20 30 BHEDHN C=CCCN(C)C[C@@H](OC(C)C)c1ccccc1 ZINC000428498856 384748914 /nfs/dbraw/zinc/74/89/14/384748914.db2.gz XOYHZJWMRZEJSN-MRXNPFEDSA-N 0 3 247.382 3.661 20 30 BHEDHN Cc1cccc(CN(C)CCC(C)(C)C#N)c1C ZINC000428716869 201037541 /nfs/dbraw/zinc/03/75/41/201037541.db2.gz JJXMOJNDNCPDHY-UHFFFAOYSA-N 0 3 244.382 3.675 20 30 BHEDHN CCC(CC)N(CC)Cc1cccc(F)c1C#N ZINC000428940301 201049756 /nfs/dbraw/zinc/04/97/56/201049756.db2.gz PQGHADJIRAKVAZ-UHFFFAOYSA-N 0 3 248.345 3.708 20 30 BHEDHN CC(C)CCCN(CCC#N)CC(C)(C)C ZINC000429044567 201064030 /nfs/dbraw/zinc/06/40/30/201064030.db2.gz KCZYIIMQIPCNCY-UHFFFAOYSA-N 0 3 224.392 3.684 20 30 BHEDHN CC(C)CCCN(CCC#N)CCC(C)C ZINC000429044610 201063428 /nfs/dbraw/zinc/06/34/28/201063428.db2.gz INBQJQBNHNOFTG-UHFFFAOYSA-N 0 3 224.392 3.684 20 30 BHEDHN C=CCCC[C@@H](C)N(C)Cc1occc1C ZINC000429402894 201106716 /nfs/dbraw/zinc/10/67/16/201106716.db2.gz NYESAHMEIRSDDM-CYBMUJFWSA-N 0 3 221.344 3.765 20 30 BHEDHN C=CCCC[C@H](C)N(C)Cc1occc1C ZINC000429402897 201105865 /nfs/dbraw/zinc/10/58/65/201105865.db2.gz NYESAHMEIRSDDM-ZDUSSCGKSA-N 0 3 221.344 3.765 20 30 BHEDHN CCC(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000429458045 201110247 /nfs/dbraw/zinc/11/02/47/201110247.db2.gz VNKXXOYAPDJQKC-LLVKDONJSA-N 0 3 248.345 3.784 20 30 BHEDHN CCC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000429458046 201110011 /nfs/dbraw/zinc/11/00/11/201110011.db2.gz VNKXXOYAPDJQKC-NSHDSACASA-N 0 3 248.345 3.784 20 30 BHEDHN CC[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1 ZINC000429784754 324119954 /nfs/dbraw/zinc/11/99/54/324119954.db2.gz OHRVDNVETYRXJJ-AWEZNQCLSA-N 0 3 246.329 3.560 20 30 BHEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1 ZINC000429784755 324119989 /nfs/dbraw/zinc/11/99/89/324119989.db2.gz OHRVDNVETYRXJJ-CQSZACIVSA-N 0 3 246.329 3.560 20 30 BHEDHN Cc1ccc(C)c([C@H](C)NCC2(CC#N)CC2)c1 ZINC000429797810 201132640 /nfs/dbraw/zinc/13/26/40/201132640.db2.gz DLCCHSNYAJIJGK-AWEZNQCLSA-N 0 3 242.366 3.648 20 30 BHEDHN Cc1ccc(C)c([C@@H](C)NCC2(CC#N)CC2)c1 ZINC000429797811 201132402 /nfs/dbraw/zinc/13/24/02/201132402.db2.gz DLCCHSNYAJIJGK-CQSZACIVSA-N 0 3 242.366 3.648 20 30 BHEDHN N#Cc1ccc(CN(C2CCC2)C2CCC2)s1 ZINC000430116190 201144330 /nfs/dbraw/zinc/14/43/30/201144330.db2.gz XBZFXTYLZBDKOK-UHFFFAOYSA-N 0 3 246.379 3.527 20 30 BHEDHN N#Cc1csc(CN(C2CCC2)C2CCC2)c1 ZINC000430117734 201145823 /nfs/dbraw/zinc/14/58/23/201145823.db2.gz CQRXLFNTRXOHEK-UHFFFAOYSA-N 0 3 246.379 3.527 20 30 BHEDHN CC1=C[C@H](C)CN([C@H](C)c2cccc(C#N)c2)C1 ZINC000430265252 388727811 /nfs/dbraw/zinc/72/78/11/388727811.db2.gz DKSGFZQQEVYQQO-GXTWGEPZSA-N 0 3 240.350 3.517 20 30 BHEDHN CC1=C[C@H](C)CN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000430265253 388727570 /nfs/dbraw/zinc/72/75/70/388727570.db2.gz DKSGFZQQEVYQQO-JSGCOSHPSA-N 0 3 240.350 3.517 20 30 BHEDHN CC1=C[C@@H](C)CN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000430265254 388727128 /nfs/dbraw/zinc/72/71/28/388727128.db2.gz DKSGFZQQEVYQQO-OCCSQVGLSA-N 0 3 240.350 3.517 20 30 BHEDHN CC1=C[C@@H](C)CN([C@H](C)c2cccc(C#N)c2)C1 ZINC000430265255 388727150 /nfs/dbraw/zinc/72/71/50/388727150.db2.gz DKSGFZQQEVYQQO-TZMCWYRMSA-N 0 3 240.350 3.517 20 30 BHEDHN CC1=C[C@H](C)CN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000430287566 192867617 /nfs/dbraw/zinc/86/76/17/192867617.db2.gz FLFMQVXDOOIFPX-GXTWGEPZSA-N 0 3 240.350 3.517 20 30 BHEDHN CC1=C[C@H](C)CN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000430287567 388727452 /nfs/dbraw/zinc/72/74/52/388727452.db2.gz FLFMQVXDOOIFPX-JSGCOSHPSA-N 0 3 240.350 3.517 20 30 BHEDHN CC1=C[C@@H](C)CN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000430287568 388727667 /nfs/dbraw/zinc/72/76/67/388727667.db2.gz FLFMQVXDOOIFPX-OCCSQVGLSA-N 0 3 240.350 3.517 20 30 BHEDHN CC1=C[C@@H](C)CN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000430287569 192867767 /nfs/dbraw/zinc/86/77/67/192867767.db2.gz FLFMQVXDOOIFPX-TZMCWYRMSA-N 0 3 240.350 3.517 20 30 BHEDHN CCC[C@@H](NCC1(CC#N)CC1)c1ccsc1 ZINC000430723086 387644750 /nfs/dbraw/zinc/64/47/50/387644750.db2.gz IEBVRBRLGZXLTE-CYBMUJFWSA-N 0 3 248.395 3.873 20 30 BHEDHN CCC[C@H](NCC1(CC#N)CC1)c1ccsc1 ZINC000430723091 387645223 /nfs/dbraw/zinc/64/52/23/387645223.db2.gz IEBVRBRLGZXLTE-ZDUSSCGKSA-N 0 3 248.395 3.873 20 30 BHEDHN Cc1ccc([C@H](C)NCC2(CC#N)CC2)cc1C ZINC000430730312 387645266 /nfs/dbraw/zinc/64/52/66/387645266.db2.gz AHETVFAQMSDQCU-AWEZNQCLSA-N 0 3 242.366 3.648 20 30 BHEDHN Cc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1C ZINC000430730313 387644441 /nfs/dbraw/zinc/64/44/41/387644441.db2.gz AHETVFAQMSDQCU-CQSZACIVSA-N 0 3 242.366 3.648 20 30 BHEDHN CC[C@H](NCC1(CC#N)CC1)c1cccc(F)c1 ZINC000430733213 387646561 /nfs/dbraw/zinc/64/65/61/387646561.db2.gz DRVVPSLPYQEHIM-AWEZNQCLSA-N 0 3 246.329 3.560 20 30 BHEDHN CC[C@@H](NCC1(CC#N)CC1)c1cccc(F)c1 ZINC000430733214 387647915 /nfs/dbraw/zinc/64/79/15/387647915.db2.gz DRVVPSLPYQEHIM-CQSZACIVSA-N 0 3 246.329 3.560 20 30 BHEDHN C=C1CCN(CCSCc2ccccc2)CC1 ZINC000430740964 387647729 /nfs/dbraw/zinc/64/77/29/387647729.db2.gz RIJLKBFVNAUGFR-UHFFFAOYSA-N 0 3 247.407 3.572 20 30 BHEDHN CCC[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000430743371 387647484 /nfs/dbraw/zinc/64/74/84/387647484.db2.gz ROAOSOBDXXSNCB-HNNXBMFYSA-N 0 3 242.366 3.811 20 30 BHEDHN CCC[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000430743372 192888962 /nfs/dbraw/zinc/88/89/62/192888962.db2.gz ROAOSOBDXXSNCB-OAHLLOKOSA-N 0 3 242.366 3.811 20 30 BHEDHN CCc1ccc([C@@H](C)NCC2(CC#N)CC2)s1 ZINC000430755407 398230046 /nfs/dbraw/zinc/23/00/46/398230046.db2.gz QKMUAGNJHYOXIB-LLVKDONJSA-N 0 3 248.395 3.655 20 30 BHEDHN CCc1ccc([C@H](C)NCC2(CC#N)CC2)s1 ZINC000430755408 398230403 /nfs/dbraw/zinc/23/04/03/398230403.db2.gz QKMUAGNJHYOXIB-NSHDSACASA-N 0 3 248.395 3.655 20 30 BHEDHN CC[C@H](NCC1(CC#N)CC1)c1ccc(C)cc1 ZINC000430756914 398230149 /nfs/dbraw/zinc/23/01/49/398230149.db2.gz VBHJQBOEDDFKOB-HNNXBMFYSA-N 0 3 242.366 3.730 20 30 BHEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc(C)cc1 ZINC000430756915 398230292 /nfs/dbraw/zinc/23/02/92/398230292.db2.gz VBHJQBOEDDFKOB-OAHLLOKOSA-N 0 3 242.366 3.730 20 30 BHEDHN C=CCN(CC=C)CCSCc1ccccc1 ZINC000430760535 398231278 /nfs/dbraw/zinc/23/12/78/398231278.db2.gz JGZGZULYAXRDGJ-UHFFFAOYSA-N 0 3 247.407 3.594 20 30 BHEDHN Cc1ccc([C@H](C)NCC2(CC#N)CC2)c(C)c1 ZINC000430761346 398231318 /nfs/dbraw/zinc/23/13/18/398231318.db2.gz LRIBRBQSUMNIAJ-AWEZNQCLSA-N 0 3 242.366 3.648 20 30 BHEDHN Cc1ccc([C@@H](C)NCC2(CC#N)CC2)c(C)c1 ZINC000430761348 398231087 /nfs/dbraw/zinc/23/10/87/398231087.db2.gz LRIBRBQSUMNIAJ-CQSZACIVSA-N 0 3 242.366 3.648 20 30 BHEDHN Cc1cc(C)cc([C@H](C)NCC2(CC#N)CC2)c1 ZINC000430762207 398231211 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C[C@@H]1CCC[C@H](CCN(C)CC(C)(C)C#N)C1 ZINC000433301770 201177940 /nfs/dbraw/zinc/17/79/40/201177940.db2.gz WDTKSPSHSCUAJY-ZIAGYGMSSA-N 0 3 236.403 3.684 20 30 BHEDHN CCCC[C@@H](CC)CN(C)CC(C)(C)C#N ZINC000433327323 201182887 /nfs/dbraw/zinc/18/28/87/201182887.db2.gz RRNDMVPSPLKPCF-CYBMUJFWSA-N 0 3 224.392 3.684 20 30 BHEDHN CCCC[C@H](CC)CN(C)CC(C)(C)C#N ZINC000433327324 201182362 /nfs/dbraw/zinc/18/23/62/201182362.db2.gz RRNDMVPSPLKPCF-ZDUSSCGKSA-N 0 3 224.392 3.684 20 30 BHEDHN C=CCN(C)CCc1cccc(Cl)c1Cl ZINC000434478753 201220878 /nfs/dbraw/zinc/22/08/78/201220878.db2.gz HPEDELUOLWPSAB-UHFFFAOYSA-N 0 3 244.165 3.654 20 30 BHEDHN C=C(C)CN1CCC(F)(c2ccccc2)CC1 ZINC000434493187 201223371 /nfs/dbraw/zinc/22/33/71/201223371.db2.gz SCMAWXGVKXWGKI-UHFFFAOYSA-N 0 3 233.330 3.523 20 30 BHEDHN CC(C)[C@@H](c1ccc(F)cc1)N(C)CCCC#N ZINC000434620828 201228344 /nfs/dbraw/zinc/22/83/44/201228344.db2.gz MBQFGTWSVVTPQN-HNNXBMFYSA-N 0 3 248.345 3.758 20 30 BHEDHN CC(C)[C@H](c1ccc(F)cc1)N(C)CCCC#N 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247.769 3.564 20 30 BHEDHN C[C@H]1CC[C@H](C)N1CC#Cc1cccc(Cl)c1 ZINC000438529977 387941961 /nfs/dbraw/zinc/94/19/61/387941961.db2.gz FHQDJHWBFVKKCG-STQMWFEESA-N 0 3 247.769 3.564 20 30 BHEDHN CCN(Cc1ccc(C#N)cc1Cl)C1CCC1 ZINC000439449880 387047110 /nfs/dbraw/zinc/04/71/10/387047110.db2.gz WBAWHRBKHMZEDB-UHFFFAOYSA-N 0 3 248.757 3.586 20 30 BHEDHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000439455066 387055233 /nfs/dbraw/zinc/05/52/33/387055233.db2.gz TZJWGQAAWBLAHO-GHMZBOCLSA-N 0 3 248.757 3.584 20 30 BHEDHN C[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000439455067 201449004 /nfs/dbraw/zinc/44/90/04/201449004.db2.gz TZJWGQAAWBLAHO-PHIMTYICSA-N 0 3 248.757 3.584 20 30 BHEDHN C[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000439455068 387999019 /nfs/dbraw/zinc/99/90/19/387999019.db2.gz TZJWGQAAWBLAHO-QWRGUYRKSA-N 0 3 248.757 3.584 20 30 BHEDHN C=CCN(CC=C)CCCc1ccccc1C ZINC000440310449 388039077 /nfs/dbraw/zinc/03/90/77/388039077.db2.gz DJOWCZPOYXWKGV-UHFFFAOYSA-N 0 3 229.367 3.602 20 30 BHEDHN C=C1CCN(CCCc2ccccc2C)CC1 ZINC000440319167 388038710 /nfs/dbraw/zinc/03/87/10/388038710.db2.gz XJLITXDDRYCCJL-UHFFFAOYSA-N 0 3 229.367 3.580 20 30 BHEDHN CC[C@H](F)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000440689385 387505441 /nfs/dbraw/zinc/50/54/41/387505441.db2.gz BJKOHAPRMSPBHU-DOMZBBRYSA-N 0 3 248.345 3.689 20 30 BHEDHN CC[C@@H](F)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000440689386 387505708 /nfs/dbraw/zinc/50/57/08/387505708.db2.gz BJKOHAPRMSPBHU-IUODEOHRSA-N 0 3 248.345 3.689 20 30 BHEDHN CC[C@@H](F)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000440689388 387505410 /nfs/dbraw/zinc/50/54/10/387505410.db2.gz BJKOHAPRMSPBHU-SWLSCSKDSA-N 0 3 248.345 3.689 20 30 BHEDHN CC[C@H](F)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000440689390 387506112 /nfs/dbraw/zinc/50/61/12/387506112.db2.gz BJKOHAPRMSPBHU-WFASDCNBSA-N 0 3 248.345 3.689 20 30 BHEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](F)CC ZINC000440711581 387539361 /nfs/dbraw/zinc/53/93/61/387539361.db2.gz NWCXMSXGVTWVPV-HNNXBMFYSA-N 0 3 248.345 3.518 20 30 BHEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](F)CC ZINC000440711584 387539705 /nfs/dbraw/zinc/53/97/05/387539705.db2.gz NWCXMSXGVTWVPV-OAHLLOKOSA-N 0 3 248.345 3.518 20 30 BHEDHN CC[C@H](F)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000440714177 387542662 /nfs/dbraw/zinc/54/26/62/387542662.db2.gz PYFFFXKMYYRCKV-HNNXBMFYSA-N 0 3 248.345 3.517 20 30 BHEDHN CC[C@@H](F)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000440714180 387542512 /nfs/dbraw/zinc/54/25/12/387542512.db2.gz PYFFFXKMYYRCKV-OAHLLOKOSA-N 0 3 248.345 3.517 20 30 BHEDHN CCC(CC)(CC)NCc1ccc(F)cc1C#N ZINC000440736310 387572869 /nfs/dbraw/zinc/57/28/69/387572869.db2.gz PTGRADJSBCZSII-UHFFFAOYSA-N 0 3 248.345 3.756 20 30 BHEDHN CN(CC#Cc1ccccc1Cl)C1CCCC1 ZINC000441145262 387730296 /nfs/dbraw/zinc/73/02/96/387730296.db2.gz LMFBFAHCHCJCOV-UHFFFAOYSA-N 0 3 247.769 3.566 20 30 BHEDHN C=CCCCN(C)CC#Cc1ccccc1Cl ZINC000441146150 387731265 /nfs/dbraw/zinc/73/12/65/387731265.db2.gz MMMAEKMRXMSXCZ-UHFFFAOYSA-N 0 3 247.769 3.590 20 30 BHEDHN CCN(CC#Cc1ccccc1Cl)CC(C)C ZINC000441147993 387730449 /nfs/dbraw/zinc/73/04/49/387730449.db2.gz YZCNVCRWOQUXRK-UHFFFAOYSA-N 0 3 249.785 3.669 20 30 BHEDHN CN(CC#Cc1ccccc1Cl)CC(C)(C)C ZINC000441150489 387732545 /nfs/dbraw/zinc/73/25/45/387732545.db2.gz YVQWPMKJZSHFQY-UHFFFAOYSA-N 0 3 249.785 3.669 20 30 BHEDHN CCC[C@@H](C)N(C)CC#Cc1ccccc1Cl ZINC000441151066 387731794 /nfs/dbraw/zinc/73/17/94/387731794.db2.gz TXZFOOJTCJJJTI-CYBMUJFWSA-N 0 3 249.785 3.812 20 30 BHEDHN CCC[C@H](C)N(C)CC#Cc1ccccc1Cl ZINC000441151067 387732634 /nfs/dbraw/zinc/73/26/34/387732634.db2.gz TXZFOOJTCJJJTI-ZDUSSCGKSA-N 0 3 249.785 3.812 20 30 BHEDHN CC(C)[C@@H](C)N(C)CC#Cc1ccccc1Cl ZINC000441154839 387732114 /nfs/dbraw/zinc/73/21/14/387732114.db2.gz IGKPJUYZIFBZOA-CYBMUJFWSA-N 0 3 249.785 3.668 20 30 BHEDHN CC(C)[C@H](C)N(C)CC#Cc1ccccc1Cl ZINC000441154840 387731944 /nfs/dbraw/zinc/73/19/44/387731944.db2.gz IGKPJUYZIFBZOA-ZDUSSCGKSA-N 0 3 249.785 3.668 20 30 BHEDHN CCN(CC#Cc1ccccc1Cl)C1CCC1 ZINC000441159284 387732395 /nfs/dbraw/zinc/73/23/95/387732395.db2.gz YYQBXKIGCJNKFL-UHFFFAOYSA-N 0 3 247.769 3.566 20 30 BHEDHN C=CCN(Cc1ccccc1F)CC1CCC1 ZINC000441213960 387737157 /nfs/dbraw/zinc/73/71/57/387737157.db2.gz WNFYNQNWKNZVRF-UHFFFAOYSA-N 0 3 233.330 3.614 20 30 BHEDHN C=C1CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000441314922 387745049 /nfs/dbraw/zinc/74/50/49/387745049.db2.gz YUDCZEUGKBQCOE-AWEZNQCLSA-N 0 3 215.340 3.708 20 30 BHEDHN C=C1CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000441314924 201546323 /nfs/dbraw/zinc/54/63/23/201546323.db2.gz YUDCZEUGKBQCOE-CQSZACIVSA-N 0 3 215.340 3.708 20 30 BHEDHN CC(C)c1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442846121 387850025 /nfs/dbraw/zinc/85/00/25/387850025.db2.gz NYWYUOIWEBXBPI-BBRMVZONSA-N 0 3 242.366 3.592 20 30 BHEDHN CC(C)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442846123 387849953 /nfs/dbraw/zinc/84/99/53/387849953.db2.gz NYWYUOIWEBXBPI-CJNGLKHVSA-N 0 3 242.366 3.592 20 30 BHEDHN CC(C)c1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442846124 387849413 /nfs/dbraw/zinc/84/94/13/387849413.db2.gz NYWYUOIWEBXBPI-CZUORRHYSA-N 0 3 242.366 3.592 20 30 BHEDHN CC(C)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442846126 387849596 /nfs/dbraw/zinc/84/95/96/387849596.db2.gz NYWYUOIWEBXBPI-XJKSGUPXSA-N 0 3 242.366 3.592 20 30 BHEDHN C=C[C@H](C)NCc1ccc(C(F)(F)F)cc1C ZINC000442987795 193008036 /nfs/dbraw/zinc/00/80/36/193008036.db2.gz DCUZSADFYFPDNO-JTQLQIEISA-N 0 3 243.272 3.678 20 30 BHEDHN C=C[C@@H](C)NCc1ccc(C(F)(F)F)cc1C ZINC000442987798 193007699 /nfs/dbraw/zinc/00/76/99/193007699.db2.gz DCUZSADFYFPDNO-SNVBAGLBSA-N 0 3 243.272 3.678 20 30 BHEDHN CC1=CCC[C@@H](C)[C@@H]1CN(CCC#N)CC1CC1 ZINC000443421976 193020609 /nfs/dbraw/zinc/02/06/09/193020609.db2.gz ZAWWNWZTOKVZHO-GDBMZVCRSA-N 0 3 246.398 3.604 20 30 BHEDHN CC1=CCC[C@H](C)[C@@H]1CN(CCC#N)CC1CC1 ZINC000443421977 193020576 /nfs/dbraw/zinc/02/05/76/193020576.db2.gz ZAWWNWZTOKVZHO-GOEBONIOSA-N 0 3 246.398 3.604 20 30 BHEDHN CC1=CCC[C@H](C)[C@H]1CN(CCC#N)CC1CC1 ZINC000443421978 193020878 /nfs/dbraw/zinc/02/08/78/193020878.db2.gz ZAWWNWZTOKVZHO-HOCLYGCPSA-N 0 3 246.398 3.604 20 30 BHEDHN CC1=CCC[C@@H](C)[C@H]1CN(CCC#N)CC1CC1 ZINC000443421980 193020396 /nfs/dbraw/zinc/02/03/96/193020396.db2.gz ZAWWNWZTOKVZHO-ZBFHGGJFSA-N 0 3 246.398 3.604 20 30 BHEDHN CC1=CCC[C@H](C)[C@@H]1CN(C[C@@H](C)C#N)C1CC1 ZINC000443642973 193028042 /nfs/dbraw/zinc/02/80/42/193028042.db2.gz UJGXKRRNUHIRRI-DUVNUKRYSA-N 0 3 246.398 3.603 20 30 BHEDHN CC1=CCC[C@H](C)[C@H]1CN(C[C@H](C)C#N)C1CC1 ZINC000443642974 193027593 /nfs/dbraw/zinc/02/75/93/193027593.db2.gz UJGXKRRNUHIRRI-INWMFGNUSA-N 0 3 246.398 3.603 20 30 BHEDHN CC1=CCC[C@H](C)[C@@H]1CN(C[C@H](C)C#N)C1CC1 ZINC000443642975 193027254 /nfs/dbraw/zinc/02/72/54/193027254.db2.gz UJGXKRRNUHIRRI-IVMMDQJWSA-N 0 3 246.398 3.603 20 30 BHEDHN CC1=CCC[C@H](C)[C@H]1CN(C[C@@H](C)C#N)C1CC1 ZINC000443642976 193028208 /nfs/dbraw/zinc/02/82/08/193028208.db2.gz UJGXKRRNUHIRRI-NOLJZWGESA-N 0 3 246.398 3.603 20 30 BHEDHN C=CCN(C)Cc1ccc(C(F)(F)F)cc1C ZINC000443861351 193030675 /nfs/dbraw/zinc/03/06/75/193030675.db2.gz KJVCBSLTMHPQQR-UHFFFAOYSA-N 0 3 243.272 3.632 20 30 BHEDHN C=C(CC)CN(C)Cc1ccc(F)c(C)c1 ZINC000444745300 387919066 /nfs/dbraw/zinc/91/90/66/387919066.db2.gz UHFLDSGDNFXLSE-UHFFFAOYSA-N 0 3 221.319 3.532 20 30 BHEDHN C=CC[C@@H]1N(Cc2cnoc2C)CCCC1(C)C ZINC000444773653 387926896 /nfs/dbraw/zinc/92/68/96/387926896.db2.gz FGSICKNRKMQSIK-AWEZNQCLSA-N 0 3 248.370 3.550 20 30 BHEDHN C=CC[C@H]1N(Cc2cnoc2C)CCCC1(C)C ZINC000444773654 387926450 /nfs/dbraw/zinc/92/64/50/387926450.db2.gz FGSICKNRKMQSIK-CQSZACIVSA-N 0 3 248.370 3.550 20 30 BHEDHN C=C(C)CN(C)Cc1ccc(C)c(Cl)c1 ZINC000446819522 388040803 /nfs/dbraw/zinc/04/08/03/388040803.db2.gz UDZFTKZXSFOSHX-UHFFFAOYSA-N 0 3 223.747 3.656 20 30 BHEDHN CC[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000446839524 388040252 /nfs/dbraw/zinc/04/02/52/388040252.db2.gz BCJGRCQRXDBDHU-HNNXBMFYSA-N 0 3 247.769 3.566 20 30 BHEDHN CC[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000446839525 388040836 /nfs/dbraw/zinc/04/08/36/388040836.db2.gz BCJGRCQRXDBDHU-OAHLLOKOSA-N 0 3 247.769 3.566 20 30 BHEDHN C[C@@H](C1CCCCC1)N(C)Cc1ccc(C#N)o1 ZINC000447066150 206092411 /nfs/dbraw/zinc/09/24/11/206092411.db2.gz DUVHSYGQSIMEEK-LBPRGKRZSA-N 0 3 246.354 3.552 20 30 BHEDHN C[C@@H](CC1CCCCC1)NCc1ccc(C#N)o1 ZINC000447090612 388734911 /nfs/dbraw/zinc/73/49/11/388734911.db2.gz YUBSQWPNLZOCIK-LBPRGKRZSA-N 0 3 246.354 3.600 20 30 BHEDHN C=CCCN(C)Cc1ccc(C)cc1Cl ZINC000447270179 388059906 /nfs/dbraw/zinc/05/99/06/388059906.db2.gz GJDSUOZHKYVZQX-UHFFFAOYSA-N 0 3 223.747 3.656 20 30 BHEDHN C=CCN(C)CCc1cc(Cl)cc(Cl)c1 ZINC000447270450 388059192 /nfs/dbraw/zinc/05/91/92/388059192.db2.gz KJEPXUQJBRCVGG-UHFFFAOYSA-N 0 3 244.165 3.654 20 30 BHEDHN C=CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000447797677 388093929 /nfs/dbraw/zinc/09/39/29/388093929.db2.gz MKSZLLWAHGLJPO-CYBMUJFWSA-N 0 3 237.293 3.508 20 30 BHEDHN C=CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000447797678 388093595 /nfs/dbraw/zinc/09/35/95/388093595.db2.gz MKSZLLWAHGLJPO-ZDUSSCGKSA-N 0 3 237.293 3.508 20 30 BHEDHN C[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000448450509 201044252 /nfs/dbraw/zinc/04/42/52/201044252.db2.gz ARDKMBZOEKRNDR-CYBMUJFWSA-N 0 3 247.769 3.566 20 30 BHEDHN C[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000448450510 201043769 /nfs/dbraw/zinc/04/37/69/201043769.db2.gz ARDKMBZOEKRNDR-ZDUSSCGKSA-N 0 3 247.769 3.566 20 30 BHEDHN Clc1cccc(C#CCN2CCCCCC2)c1 ZINC000448532564 201163552 /nfs/dbraw/zinc/16/35/52/201163552.db2.gz NOELHPZOPZWYIY-UHFFFAOYSA-N 0 3 247.769 3.568 20 30 BHEDHN CCC[C@H](NCc1ccccc1C#N)C1CCC1 ZINC000448552488 201239582 /nfs/dbraw/zinc/23/95/82/201239582.db2.gz AFMYMPCLPKLWRB-INIZCTEOSA-N 0 3 242.366 3.617 20 30 BHEDHN CCC[C@@H](NCc1ccccc1C#N)C1CCC1 ZINC000448552489 201239704 /nfs/dbraw/zinc/23/97/04/201239704.db2.gz AFMYMPCLPKLWRB-MRXNPFEDSA-N 0 3 242.366 3.617 20 30 BHEDHN C=C1CCN(Cc2cccc3ccoc32)CC1 ZINC000449023927 388132046 /nfs/dbraw/zinc/13/20/46/388132046.db2.gz WJYVICPSFCEZLO-UHFFFAOYSA-N 0 3 227.307 3.585 20 30 BHEDHN C=CCCCC[C@@H](C)NCc1c(C)noc1C ZINC000449098865 388141915 /nfs/dbraw/zinc/14/19/15/388141915.db2.gz RMCNIRGEBMRQDX-LLVKDONJSA-N 0 3 236.359 3.516 20 30 BHEDHN C=CCCCC[C@H](C)NCc1c(C)noc1C ZINC000449098866 388141762 /nfs/dbraw/zinc/14/17/62/388141762.db2.gz RMCNIRGEBMRQDX-NSHDSACASA-N 0 3 236.359 3.516 20 30 BHEDHN C=C[C@@H](C)NCc1cc2ccccc2cc1OC ZINC000449191998 384309166 /nfs/dbraw/zinc/30/91/66/384309166.db2.gz QAYIQYMCDKYDLU-GFCCVEGCSA-N 0 3 241.334 3.513 20 30 BHEDHN C=C[C@H](C)NCc1cc2ccccc2cc1OC ZINC000449192002 384309035 /nfs/dbraw/zinc/30/90/35/384309035.db2.gz QAYIQYMCDKYDLU-LBPRGKRZSA-N 0 3 241.334 3.513 20 30 BHEDHN C=C[C@@H](C)NCc1cc2ccccc2c(OC)c1 ZINC000449196655 388156299 /nfs/dbraw/zinc/15/62/99/388156299.db2.gz YSPHLICRYYMLLQ-GFCCVEGCSA-N 0 3 241.334 3.513 20 30 BHEDHN C=C[C@H](C)NCc1cc2ccccc2c(OC)c1 ZINC000449196656 388156469 /nfs/dbraw/zinc/15/64/69/388156469.db2.gz YSPHLICRYYMLLQ-LBPRGKRZSA-N 0 3 241.334 3.513 20 30 BHEDHN C=CCCCC[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000449197335 384354664 /nfs/dbraw/zinc/35/46/64/384354664.db2.gz ZBCLCHFGQQJGDY-GXTWGEPZSA-N 0 3 247.386 3.512 20 30 BHEDHN C=CCCCC[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000449197336 384354626 /nfs/dbraw/zinc/35/46/26/384354626.db2.gz ZBCLCHFGQQJGDY-JSGCOSHPSA-N 0 3 247.386 3.512 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000449197337 384354097 /nfs/dbraw/zinc/35/40/97/384354097.db2.gz ZBCLCHFGQQJGDY-OCCSQVGLSA-N 0 3 247.386 3.512 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000449197338 384354536 /nfs/dbraw/zinc/35/45/36/384354536.db2.gz ZBCLCHFGQQJGDY-TZMCWYRMSA-N 0 3 247.386 3.512 20 30 BHEDHN C=CCN(Cc1cccc2ccoc21)C1CC1 ZINC000449235014 388159993 /nfs/dbraw/zinc/15/99/93/388159993.db2.gz DSRHPOMVCKACMV-UHFFFAOYSA-N 0 3 227.307 3.583 20 30 BHEDHN CC(C)CC[C@H]1CC[C@H](NCC(C)(C)C#N)C1 ZINC000449241021 388160922 /nfs/dbraw/zinc/16/09/22/388160922.db2.gz QNXMEIAQZRJRDD-KBPBESRZSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)CC[C@@H]1CC[C@H](NCC(C)(C)C#N)C1 ZINC000449241022 388161096 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/nfs/dbraw/zinc/25/63/55/202256355.db2.gz BFCBQBJJVRTUDU-UHFFFAOYSA-N 0 3 234.387 3.582 20 30 BHEDHN CC[C@H]1CCCC[C@@H]1N(C)CC1(C#N)CCC1 ZINC000450814208 411322869 /nfs/dbraw/zinc/32/28/69/411322869.db2.gz XZBWWVJSYZZFLI-KBPBESRZSA-N 0 3 234.387 3.581 20 30 BHEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC1(C#N)CCC1 ZINC000450814209 411322702 /nfs/dbraw/zinc/32/27/02/411322702.db2.gz XZBWWVJSYZZFLI-KGLIPLIRSA-N 0 3 234.387 3.581 20 30 BHEDHN CC[C@H]1CCCC[C@H]1N(C)CC1(C#N)CCC1 ZINC000450814210 411322686 /nfs/dbraw/zinc/32/26/86/411322686.db2.gz XZBWWVJSYZZFLI-UONOGXRCSA-N 0 3 234.387 3.581 20 30 BHEDHN CC[C@@H]1CCCC[C@H]1N(C)CC1(C#N)CCC1 ZINC000450814211 411322923 /nfs/dbraw/zinc/32/29/23/411322923.db2.gz XZBWWVJSYZZFLI-ZIAGYGMSSA-N 0 3 234.387 3.581 20 30 BHEDHN C=CC[C@@H]1N(CC2(C#N)CCC2)CCCC1(C)C ZINC000450874096 202296444 /nfs/dbraw/zinc/29/64/44/202296444.db2.gz UHQSHEMNJQNPPR-AWEZNQCLSA-N 0 3 246.398 3.747 20 30 BHEDHN C=CC[C@H]1N(CC2(C#N)CCC2)CCCC1(C)C ZINC000450874101 386791805 /nfs/dbraw/zinc/79/18/05/386791805.db2.gz UHQSHEMNJQNPPR-CQSZACIVSA-N 0 3 246.398 3.747 20 30 BHEDHN C[C@@H](C1CCCCC1)N(C)CC1(C#N)CCC1 ZINC000450886093 202296767 /nfs/dbraw/zinc/29/67/67/202296767.db2.gz VRMXAFHWKIGTCH-ZDUSSCGKSA-N 0 3 234.387 3.581 20 30 BHEDHN C[C@H](C1CCCCC1)N(C)CC1(C#N)CCC1 ZINC000450942989 202317444 /nfs/dbraw/zinc/31/74/44/202317444.db2.gz VRMXAFHWKIGTCH-CYBMUJFWSA-N 0 3 234.387 3.581 20 30 BHEDHN N#CC1(CN[C@H]2CCCCC23CCCC3)CCC1 ZINC000451052025 202337378 /nfs/dbraw/zinc/33/73/78/202337378.db2.gz UVCKNXJYLCSLST-AWEZNQCLSA-N 0 3 246.398 3.773 20 30 BHEDHN N#CC1(CN[C@@H]2CCCCC23CCCC3)CCC1 ZINC000451052026 202338660 /nfs/dbraw/zinc/33/86/60/202338660.db2.gz UVCKNXJYLCSLST-CQSZACIVSA-N 0 3 246.398 3.773 20 30 BHEDHN CC(C)(C#N)CCCCN1CCC[C@](C)(F)C1 ZINC000451116250 202353423 /nfs/dbraw/zinc/35/34/23/202353423.db2.gz QSRCYFFURRFICQ-AWEZNQCLSA-N 0 3 240.366 3.530 20 30 BHEDHN CC(C)(C#N)CCCCN1CCC[C@@](C)(F)C1 ZINC000451116259 202353781 /nfs/dbraw/zinc/35/37/81/202353781.db2.gz QSRCYFFURRFICQ-CQSZACIVSA-N 0 3 240.366 3.530 20 30 BHEDHN CCC1(NCc2cccc(F)c2C#N)CCCC1 ZINC000451274933 202392395 /nfs/dbraw/zinc/39/23/95/202392395.db2.gz KYQAOXOIMAIGCM-UHFFFAOYSA-N 0 3 246.329 3.510 20 30 BHEDHN CCC1(NCc2ccc(F)cc2C#N)CCCC1 ZINC000451275019 202391141 /nfs/dbraw/zinc/39/11/41/202391141.db2.gz LJZWSZQJEWULMP-UHFFFAOYSA-N 0 3 246.329 3.510 20 30 BHEDHN C=CCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451360856 388265151 /nfs/dbraw/zinc/26/51/51/388265151.db2.gz YUDJEYIFLDFTBN-CYBMUJFWSA-N 0 3 239.721 3.706 20 30 BHEDHN C=CCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451360857 388264637 /nfs/dbraw/zinc/26/46/37/388264637.db2.gz YUDJEYIFLDFTBN-ZDUSSCGKSA-N 0 3 239.721 3.706 20 30 BHEDHN C=C(CC)CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451402963 388270265 /nfs/dbraw/zinc/27/02/65/388270265.db2.gz CMSUCXPJXFYQDE-GHMZBOCLSA-N 0 3 235.293 3.615 20 30 BHEDHN C=C(CC)CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451402964 388270542 /nfs/dbraw/zinc/27/05/42/388270542.db2.gz CMSUCXPJXFYQDE-MNOVXSKESA-N 0 3 235.293 3.615 20 30 BHEDHN C=C(CC)CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451402965 323149733 /nfs/dbraw/zinc/14/97/33/323149733.db2.gz CMSUCXPJXFYQDE-QWRGUYRKSA-N 0 3 235.293 3.615 20 30 BHEDHN C=C(CC)CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451402966 323149736 /nfs/dbraw/zinc/14/97/36/323149736.db2.gz CMSUCXPJXFYQDE-WDEREUQCSA-N 0 3 235.293 3.615 20 30 BHEDHN C=CCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846468 388300808 /nfs/dbraw/zinc/30/08/08/388300808.db2.gz WIGZPIPAUJOWGJ-AWEZNQCLSA-N 0 3 231.339 3.773 20 30 BHEDHN C=CCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451846469 388300228 /nfs/dbraw/zinc/30/02/28/388300228.db2.gz WIGZPIPAUJOWGJ-CQSZACIVSA-N 0 3 231.339 3.773 20 30 BHEDHN C=C(C)CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451851802 388301058 /nfs/dbraw/zinc/30/10/58/388301058.db2.gz JRWVDPDGRJCICN-AWEZNQCLSA-N 0 3 231.339 3.773 20 30 BHEDHN C=C(C)CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451851804 388301206 /nfs/dbraw/zinc/30/12/06/388301206.db2.gz JRWVDPDGRJCICN-CQSZACIVSA-N 0 3 231.339 3.773 20 30 BHEDHN C=CCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451964227 387690249 /nfs/dbraw/zinc/69/02/49/387690249.db2.gz AVXWOSNRZRELQS-AWEZNQCLSA-N 0 3 237.293 3.678 20 30 BHEDHN C=CCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451964228 387690299 /nfs/dbraw/zinc/69/02/99/387690299.db2.gz AVXWOSNRZRELQS-CQSZACIVSA-N 0 3 237.293 3.678 20 30 BHEDHN Cc1cc(F)ccc1[C@@H]1CCCN1CCCC#N ZINC000451975188 387692452 /nfs/dbraw/zinc/69/24/52/387692452.db2.gz UTPCLFXVKKLJSD-HNNXBMFYSA-N 0 3 246.329 3.575 20 30 BHEDHN Cc1cc(F)ccc1[C@H]1CCCN1CCCC#N ZINC000451975195 386004184 /nfs/dbraw/zinc/00/41/84/386004184.db2.gz UTPCLFXVKKLJSD-OAHLLOKOSA-N 0 3 246.329 3.575 20 30 BHEDHN Cc1ccc(CN(C)CCC(C)(C)C#N)cc1C ZINC000452050448 387712888 /nfs/dbraw/zinc/71/28/88/387712888.db2.gz WYPJKLBKUPFGEZ-UHFFFAOYSA-N 0 3 244.382 3.675 20 30 BHEDHN CC(C)N(CC1(C#N)CCC1)C1CC(C)(C)C1 ZINC000452111696 387742608 /nfs/dbraw/zinc/74/26/08/387742608.db2.gz VIGMDPKERPLREN-UHFFFAOYSA-N 0 3 234.387 3.579 20 30 BHEDHN C[C@H]1CC[C@@H](NCCCC#N)c2sccc21 ZINC000453197373 388008778 /nfs/dbraw/zinc/00/87/78/388008778.db2.gz SLSCWPQSUFPKNU-CMPLNLGQSA-N 0 3 234.368 3.580 20 30 BHEDHN C[C@H]1CC[C@H](NCCCC#N)c2sccc21 ZINC000453197375 388007910 /nfs/dbraw/zinc/00/79/10/388007910.db2.gz SLSCWPQSUFPKNU-JQWIXIFHSA-N 0 3 234.368 3.580 20 30 BHEDHN C[C@@H]1CC[C@H](NCCCC#N)c2sccc21 ZINC000453197377 388007601 /nfs/dbraw/zinc/00/76/01/388007601.db2.gz SLSCWPQSUFPKNU-PWSUYJOCSA-N 0 3 234.368 3.580 20 30 BHEDHN C[C@@H]1CC[C@@H](NCCCC#N)c2sccc21 ZINC000453197379 202706751 /nfs/dbraw/zinc/70/67/51/202706751.db2.gz SLSCWPQSUFPKNU-ZYHUDNBSSA-N 0 3 234.368 3.580 20 30 BHEDHN C=CCC[C@H](NC1CC(C)(F)C1)c1ccco1 ZINC000453244212 388023400 /nfs/dbraw/zinc/02/34/00/388023400.db2.gz YQCRRNPJUIXAQX-LXVYMNJGSA-N 0 3 237.318 3.767 20 30 BHEDHN C=CCC[C@@H](NC1CC(C)(F)C1)c1ccco1 ZINC000453244214 388023561 /nfs/dbraw/zinc/02/35/61/388023561.db2.gz YQCRRNPJUIXAQX-MBHSVXNSSA-N 0 3 237.318 3.767 20 30 BHEDHN C=CC(C)(C)CN[C@H](C)c1cc(C)c(C)o1 ZINC000453303869 388037051 /nfs/dbraw/zinc/03/70/51/388037051.db2.gz DLQBFNHVURKNDL-LLVKDONJSA-N 0 3 221.344 3.759 20 30 BHEDHN C=CC(C)(C)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000453303877 388036842 /nfs/dbraw/zinc/03/68/42/388036842.db2.gz DLQBFNHVURKNDL-NSHDSACASA-N 0 3 221.344 3.759 20 30 BHEDHN C=CC(C)(C)CN[C@H](C)c1ncccc1CC ZINC000453307497 388041281 /nfs/dbraw/zinc/04/12/81/388041281.db2.gz LNODBRHHLALOCW-GFCCVEGCSA-N 0 3 232.371 3.507 20 30 BHEDHN C=CC(C)(C)CN[C@@H](C)c1ncccc1CC ZINC000453307498 388041376 /nfs/dbraw/zinc/04/13/76/388041376.db2.gz LNODBRHHLALOCW-LBPRGKRZSA-N 0 3 232.371 3.507 20 30 BHEDHN C=CC(C)(C)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000453310172 388042915 /nfs/dbraw/zinc/04/29/15/388042915.db2.gz RDJGFEJKZHRQLI-JTQLQIEISA-N 0 3 238.762 3.598 20 30 BHEDHN C=CC(C)(C)CN[C@H](C)c1ccc(Cl)cn1 ZINC000453310185 388042446 /nfs/dbraw/zinc/04/24/46/388042446.db2.gz RDJGFEJKZHRQLI-SNVBAGLBSA-N 0 3 238.762 3.598 20 30 BHEDHN C=C(C)CCN[C@H](C)c1cc(C)c(C)o1 ZINC000453310643 386397800 /nfs/dbraw/zinc/39/78/00/386397800.db2.gz FXJPBKOXCRYHND-LLVKDONJSA-N 0 3 207.317 3.513 20 30 BHEDHN C=C(C)CCN[C@@H](C)c1cc(C)c(C)o1 ZINC000453310644 386397012 /nfs/dbraw/zinc/39/70/12/386397012.db2.gz FXJPBKOXCRYHND-NSHDSACASA-N 0 3 207.317 3.513 20 30 BHEDHN C=C(C)CCN[C@H]1CCCOc2ccc(F)cc21 ZINC000453311524 388042412 /nfs/dbraw/zinc/04/24/12/388042412.db2.gz GLCJHSGQOCVIQW-AWEZNQCLSA-N 0 3 249.329 3.595 20 30 BHEDHN C=C(C)CCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000453311527 388042228 /nfs/dbraw/zinc/04/22/28/388042228.db2.gz GLCJHSGQOCVIQW-CQSZACIVSA-N 0 3 249.329 3.595 20 30 BHEDHN C=CCC[C@@H](NCCC(=C)C)c1ccco1 ZINC000453313214 388042501 /nfs/dbraw/zinc/04/25/01/388042501.db2.gz HTFNFSJZZVTTSU-CYBMUJFWSA-N 0 3 219.328 3.843 20 30 BHEDHN C=CCC[C@H](NCCC(=C)C)c1ccco1 ZINC000453313215 388037931 /nfs/dbraw/zinc/03/79/31/388037931.db2.gz HTFNFSJZZVTTSU-ZDUSSCGKSA-N 0 3 219.328 3.843 20 30 BHEDHN C=CC(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000453313855 388043776 /nfs/dbraw/zinc/04/37/76/388043776.db2.gz XIBAJJYYSPDKSO-LLVKDONJSA-N 0 3 246.329 3.560 20 30 BHEDHN C=CC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000453313857 388043721 /nfs/dbraw/zinc/04/37/21/388043721.db2.gz XIBAJJYYSPDKSO-NSHDSACASA-N 0 3 246.329 3.560 20 30 BHEDHN C=CC(C)(C)CN[C@H](C)c1ccc(CC)o1 ZINC000453315375 388044111 /nfs/dbraw/zinc/04/41/11/388044111.db2.gz ZFDQSZFXFMLTJH-LLVKDONJSA-N 0 3 221.344 3.705 20 30 BHEDHN C=CC(C)(C)CN[C@@H](C)c1ccc(CC)o1 ZINC000453315376 388044057 /nfs/dbraw/zinc/04/40/57/388044057.db2.gz ZFDQSZFXFMLTJH-NSHDSACASA-N 0 3 221.344 3.705 20 30 BHEDHN C=C(C)CCN[C@@H]1CCc2c1c(F)ccc2F ZINC000453323718 388046922 /nfs/dbraw/zinc/04/69/22/388046922.db2.gz SJABHQCFMQUZQE-CYBMUJFWSA-N 0 3 237.293 3.508 20 30 BHEDHN C=C(C)CCN[C@H]1CCc2c1c(F)ccc2F ZINC000453323720 388046076 /nfs/dbraw/zinc/04/60/76/388046076.db2.gz SJABHQCFMQUZQE-ZDUSSCGKSA-N 0 3 237.293 3.508 20 30 BHEDHN C=CCC[C@H](NC/C=C/CC)c1ccco1 ZINC000453324692 219887528 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/nfs/dbraw/zinc/74/45/37/386744537.db2.gz UORQRGFQYMMVEE-IYKSTZQJSA-N 0 3 228.339 3.565 20 30 BHEDHN CC/C=C/CN[C@H](CC)c1ccc(C#N)cc1 ZINC000453329156 386743314 /nfs/dbraw/zinc/74/33/14/386743314.db2.gz UORQRGFQYMMVEE-LLYBFZRZSA-N 0 3 228.339 3.565 20 30 BHEDHN CC/C=C/CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000453329157 386743505 /nfs/dbraw/zinc/74/35/05/386743505.db2.gz UORQRGFQYMMVEE-NFAHFFEMSA-N 0 3 228.339 3.565 20 30 BHEDHN CC/C=C\CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000453329158 386744885 /nfs/dbraw/zinc/74/48/85/386744885.db2.gz UORQRGFQYMMVEE-YVACAVLKSA-N 0 3 228.339 3.565 20 30 BHEDHN C=C(CC)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000453337411 388050638 /nfs/dbraw/zinc/05/06/38/388050638.db2.gz ALYAVVMAIPXTNE-AWEZNQCLSA-N 0 3 247.386 3.587 20 30 BHEDHN C=C(CC)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000453337414 388051244 /nfs/dbraw/zinc/05/12/44/388051244.db2.gz ALYAVVMAIPXTNE-CQSZACIVSA-N 0 3 247.386 3.587 20 30 BHEDHN C=C(CC)CN[C@H](C)c1nccc2ccccc21 ZINC000453340220 202741836 /nfs/dbraw/zinc/74/18/36/202741836.db2.gz CCRDDMXNDUWLAL-CYBMUJFWSA-N 0 3 240.350 3.852 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1nccc2ccccc21 ZINC000453340224 388052462 /nfs/dbraw/zinc/05/24/62/388052462.db2.gz CCRDDMXNDUWLAL-ZDUSSCGKSA-N 0 3 240.350 3.852 20 30 BHEDHN C=C(CC)CN[C@@H]1CCc2c1c(F)ccc2F ZINC000453341234 388051864 /nfs/dbraw/zinc/05/18/64/388051864.db2.gz COLFYLYTYVMTIO-CYBMUJFWSA-N 0 3 237.293 3.508 20 30 BHEDHN C=C(CC)CN[C@H]1CCc2c1c(F)ccc2F ZINC000453341236 388052652 /nfs/dbraw/zinc/05/26/52/388052652.db2.gz COLFYLYTYVMTIO-ZDUSSCGKSA-N 0 3 237.293 3.508 20 30 BHEDHN C=CCC1(CN[C@H](C)c2cc(C)on2)CCCC1 ZINC000453341682 388052293 /nfs/dbraw/zinc/05/22/93/388052293.db2.gz CJUUVGUMTFBWQG-CYBMUJFWSA-N 0 3 248.370 3.770 20 30 BHEDHN C=CCC1(CN[C@@H](C)c2cc(C)on2)CCCC1 ZINC000453341683 388052401 /nfs/dbraw/zinc/05/24/01/388052401.db2.gz CJUUVGUMTFBWQG-ZDUSSCGKSA-N 0 3 248.370 3.770 20 30 BHEDHN C=C(CC)CN[C@H]1CCCOc2cc(F)ccc21 ZINC000453345627 388053281 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PLVZVJNJRHDMJH-SDNWHVSQSA-N 0 3 242.366 3.619 20 30 BHEDHN CC(C)c1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459700640 206136777 /nfs/dbraw/zinc/13/67/77/206136777.db2.gz SNMFSNORVVUAKZ-UHFFFAOYSA-N 0 3 244.382 3.839 20 30 BHEDHN C=CCCCC[C@H](C)NCc1ccc(C)c(C)n1 ZINC000459712871 203339286 /nfs/dbraw/zinc/33/92/86/203339286.db2.gz NQBMQYWZRCETJH-AWEZNQCLSA-N 0 3 246.398 3.923 20 30 BHEDHN C=CCCCC[C@@H](C)NCc1ccc(C)c(C)n1 ZINC000459712873 203340267 /nfs/dbraw/zinc/34/02/67/203340267.db2.gz NQBMQYWZRCETJH-CQSZACIVSA-N 0 3 246.398 3.923 20 30 BHEDHN CC(C)(CC#N)CNCc1ccc(C2CC2)cc1 ZINC000459732816 203344335 /nfs/dbraw/zinc/34/43/35/203344335.db2.gz PLVHLKHBVNWYPU-UHFFFAOYSA-N 0 3 242.366 3.593 20 30 BHEDHN CC[C@H](NCC(C)(C)CC#N)c1ccccc1F ZINC000459738161 203349950 /nfs/dbraw/zinc/34/99/50/203349950.db2.gz XPRLUOCXGHAKRK-AWEZNQCLSA-N 0 3 248.345 3.806 20 30 BHEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccccc1F ZINC000459738166 203348924 /nfs/dbraw/zinc/34/89/24/203348924.db2.gz XPRLUOCXGHAKRK-CQSZACIVSA-N 0 3 248.345 3.806 20 30 BHEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000459751798 203355396 /nfs/dbraw/zinc/35/53/96/203355396.db2.gz BJYBFQXBLPPUQZ-GYSYKLTISA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000459751800 203355564 /nfs/dbraw/zinc/35/55/64/203355564.db2.gz BJYBFQXBLPPUQZ-JTNHKYCSSA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000459751802 203356831 /nfs/dbraw/zinc/35/68/31/203356831.db2.gz BJYBFQXBLPPUQZ-SUNKGSAMSA-N 0 3 248.757 3.683 20 30 BHEDHN CC#CCCN(CC)Cc1ccc(Cl)s1 ZINC000462308867 388265326 /nfs/dbraw/zinc/26/53/26/388265326.db2.gz ARTLNBINZAALTP-UHFFFAOYSA-N 0 3 241.787 3.637 20 30 BHEDHN CC#CCCN(CC)Cc1cccc(Cl)c1 ZINC000462310801 388265905 /nfs/dbraw/zinc/26/59/05/388265905.db2.gz GNNDQLLPEJTQPK-UHFFFAOYSA-N 0 3 235.758 3.575 20 30 BHEDHN CC#CCCN(Cc1ccoc1)C1CCCCC1 ZINC000462313339 388265337 /nfs/dbraw/zinc/26/53/37/388265337.db2.gz LCRRKRMYOPTFGE-UHFFFAOYSA-N 0 3 245.366 3.828 20 30 BHEDHN CC#CCCN(CC)Cc1ccc(Cl)cc1 ZINC000462315280 388265449 /nfs/dbraw/zinc/26/54/49/388265449.db2.gz MJHQTQVQLCYJEC-UHFFFAOYSA-N 0 3 235.758 3.575 20 30 BHEDHN CC#CCCN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000462315913 388265574 /nfs/dbraw/zinc/26/55/74/388265574.db2.gz RMCPUSPHOATODE-DZGCQCFKSA-N 0 3 245.366 3.774 20 30 BHEDHN CC#CCCN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000462315918 388265323 /nfs/dbraw/zinc/26/53/23/388265323.db2.gz RMCPUSPHOATODE-HIFRSBDPSA-N 0 3 245.366 3.774 20 30 BHEDHN CC#CCCN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000462315920 388265581 /nfs/dbraw/zinc/26/55/81/388265581.db2.gz RMCPUSPHOATODE-UKRRQHHQSA-N 0 3 245.366 3.774 20 30 BHEDHN CC#CCCN1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000462315921 388265689 /nfs/dbraw/zinc/26/56/89/388265689.db2.gz RMCPUSPHOATODE-ZFWWWQNUSA-N 0 3 245.366 3.774 20 30 BHEDHN CC#CCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000462318090 388265475 /nfs/dbraw/zinc/26/54/75/388265475.db2.gz VODXAMVYXCLOCX-HNNXBMFYSA-N 0 3 247.769 3.890 20 30 BHEDHN CC#CCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000462318091 388265668 /nfs/dbraw/zinc/26/56/68/388265668.db2.gz VODXAMVYXCLOCX-OAHLLOKOSA-N 0 3 247.769 3.890 20 30 BHEDHN CC#CCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000462318917 388265345 /nfs/dbraw/zinc/26/53/45/388265345.db2.gz ZHOLRQVLBFQLFA-GFCCVEGCSA-N 0 3 235.758 3.746 20 30 BHEDHN CC#CCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000462318919 388265427 /nfs/dbraw/zinc/26/54/27/388265427.db2.gz ZHOLRQVLBFQLFA-LBPRGKRZSA-N 0 3 235.758 3.746 20 30 BHEDHN CC#CCCN1CCC[C@H]1c1ccccc1Cl ZINC000462320860 388265206 /nfs/dbraw/zinc/26/52/06/388265206.db2.gz SQKGHHNOQQBHLR-HNNXBMFYSA-N 0 3 247.769 3.890 20 30 BHEDHN CC#CCCN1CCC[C@@H]1c1ccccc1Cl ZINC000462320861 388266204 /nfs/dbraw/zinc/26/62/04/388266204.db2.gz SQKGHHNOQQBHLR-OAHLLOKOSA-N 0 3 247.769 3.890 20 30 BHEDHN CC#CCCN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000462321804 388266449 /nfs/dbraw/zinc/26/64/49/388266449.db2.gz WUEPQHNJJPYUMN-BBRMVZONSA-N 0 3 245.341 3.622 20 30 BHEDHN CC#CCCN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000462321806 388266705 /nfs/dbraw/zinc/26/67/05/388266705.db2.gz WUEPQHNJJPYUMN-CJNGLKHVSA-N 0 3 245.341 3.622 20 30 BHEDHN CC#CCCN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000462321808 388266556 /nfs/dbraw/zinc/26/65/56/388266556.db2.gz WUEPQHNJJPYUMN-CZUORRHYSA-N 0 3 245.341 3.622 20 30 BHEDHN CC#CCCN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000462321809 388266896 /nfs/dbraw/zinc/26/68/96/388266896.db2.gz WUEPQHNJJPYUMN-XJKSGUPXSA-N 0 3 245.341 3.622 20 30 BHEDHN CC#CCCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000462322854 388266313 /nfs/dbraw/zinc/26/63/13/388266313.db2.gz QZLHVTUNMBSRTP-BBRMVZONSA-N 0 3 245.341 3.622 20 30 BHEDHN CC#CCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000462322855 388266605 /nfs/dbraw/zinc/26/66/05/388266605.db2.gz QZLHVTUNMBSRTP-CJNGLKHVSA-N 0 3 245.341 3.622 20 30 BHEDHN CC#CCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000462322856 388266151 /nfs/dbraw/zinc/26/61/51/388266151.db2.gz QZLHVTUNMBSRTP-CZUORRHYSA-N 0 3 245.341 3.622 20 30 BHEDHN CC#CCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000462322857 388266994 /nfs/dbraw/zinc/26/69/94/388266994.db2.gz QZLHVTUNMBSRTP-XJKSGUPXSA-N 0 3 245.341 3.622 20 30 BHEDHN CC#CCCN(C)Cc1ccc2ccccc2c1 ZINC000462323369 388266598 /nfs/dbraw/zinc/26/65/98/388266598.db2.gz COAQXGPNHSUZMP-UHFFFAOYSA-N 0 3 237.346 3.685 20 30 BHEDHN CC#CCCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000462324437 388266683 /nfs/dbraw/zinc/26/66/83/388266683.db2.gz CHFBAEDHPYIOJV-HNNXBMFYSA-N 0 3 247.769 3.890 20 30 BHEDHN CC#CCCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000462324438 388266161 /nfs/dbraw/zinc/26/61/61/388266161.db2.gz CHFBAEDHPYIOJV-OAHLLOKOSA-N 0 3 247.769 3.890 20 30 BHEDHN CC#CCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000462326390 388266656 /nfs/dbraw/zinc/26/66/56/388266656.db2.gz KSYQNYQHQZMCLI-GFCCVEGCSA-N 0 3 235.758 3.746 20 30 BHEDHN CC#CCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000462326391 388266306 /nfs/dbraw/zinc/26/63/06/388266306.db2.gz KSYQNYQHQZMCLI-LBPRGKRZSA-N 0 3 235.758 3.746 20 30 BHEDHN CC#CCCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000462327289 388266879 /nfs/dbraw/zinc/26/68/79/388266879.db2.gz NTMRFALKZNBKDJ-INIZCTEOSA-N 0 3 245.341 3.766 20 30 BHEDHN CC#CCCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000462327290 388266407 /nfs/dbraw/zinc/26/64/07/388266407.db2.gz NTMRFALKZNBKDJ-MRXNPFEDSA-N 0 3 245.341 3.766 20 30 BHEDHN CC#CCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000462329256 388266782 /nfs/dbraw/zinc/26/67/82/388266782.db2.gz YERQFBDXYXACTI-UHFFFAOYSA-N 0 3 247.769 3.718 20 30 BHEDHN CC#CCCN(C)Cc1csc2ccccc12 ZINC000462329370 388266430 /nfs/dbraw/zinc/26/64/30/388266430.db2.gz WQQVPRWBOPHYGW-UHFFFAOYSA-N 0 3 243.375 3.747 20 30 BHEDHN CC#CCCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000462334676 388266763 /nfs/dbraw/zinc/26/67/63/388266763.db2.gz VCEDKHHPBGSZKR-GZKZCVOOSA-N 0 3 239.362 3.578 20 30 BHEDHN CC#CCCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000462334678 388266839 /nfs/dbraw/zinc/26/68/39/388266839.db2.gz VCEDKHHPBGSZKR-MUSGIIIZSA-N 0 3 239.362 3.578 20 30 BHEDHN CC#CCCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000462334680 384283839 /nfs/dbraw/zinc/28/38/39/384283839.db2.gz VCEDKHHPBGSZKR-QOHRORDFSA-N 0 3 239.362 3.578 20 30 BHEDHN CC#CCCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000462334681 384285003 /nfs/dbraw/zinc/28/50/03/384285003.db2.gz VCEDKHHPBGSZKR-UJGDBWEASA-N 0 3 239.362 3.578 20 30 BHEDHN CC#CCCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000462337862 388266197 /nfs/dbraw/zinc/26/61/97/388266197.db2.gz QZJJSJIKSMFOJT-CHWSQXEVSA-N 0 3 245.341 3.547 20 30 BHEDHN CC#CCCN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000462337863 388266858 /nfs/dbraw/zinc/26/68/58/388266858.db2.gz QZJJSJIKSMFOJT-OLZOCXBDSA-N 0 3 245.341 3.547 20 30 BHEDHN CC#CCCN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000462337864 388266276 /nfs/dbraw/zinc/26/62/76/388266276.db2.gz QZJJSJIKSMFOJT-QWHCGFSZSA-N 0 3 245.341 3.547 20 30 BHEDHN CC#CCCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000462337865 388266221 /nfs/dbraw/zinc/26/62/21/388266221.db2.gz QZJJSJIKSMFOJT-STQMWFEESA-N 0 3 245.341 3.547 20 30 BHEDHN C=CCC[C@@H](CCC)N[C@H](C)c1ncc(C)o1 ZINC000462795096 388271555 /nfs/dbraw/zinc/27/15/55/388271555.db2.gz MZZFVMWGUIWVKH-CHWSQXEVSA-N 0 3 236.359 3.769 20 30 BHEDHN C=CCC[C@H](CCC)N[C@H](C)c1ncc(C)o1 ZINC000462795097 388271842 /nfs/dbraw/zinc/27/18/42/388271842.db2.gz MZZFVMWGUIWVKH-OLZOCXBDSA-N 0 3 236.359 3.769 20 30 BHEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1ncc(C)o1 ZINC000462795098 388271541 /nfs/dbraw/zinc/27/15/41/388271541.db2.gz MZZFVMWGUIWVKH-QWHCGFSZSA-N 0 3 236.359 3.769 20 30 BHEDHN C=CCC[C@H](CCC)N[C@@H](C)c1ncc(C)o1 ZINC000462795099 388272046 /nfs/dbraw/zinc/27/20/46/388272046.db2.gz MZZFVMWGUIWVKH-STQMWFEESA-N 0 3 236.359 3.769 20 30 BHEDHN CCN(CC#Cc1ccc(F)cc1)CC(C)(C)C ZINC000463357912 388091017 /nfs/dbraw/zinc/09/10/17/388091017.db2.gz BBSTXLSMHDKGKU-UHFFFAOYSA-N 0 3 247.357 3.545 20 30 BHEDHN CCN(Cc1ccc(F)cc1C#N)CC(C)(C)C ZINC000463361473 388732384 /nfs/dbraw/zinc/73/23/84/388732384.db2.gz LUBMAOHQBZCVTJ-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN C=C(C)CN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463451188 526505926 /nfs/dbraw/zinc/50/59/26/526505926.db2.gz FSMGFCQVYDTQRB-MNOVXSKESA-N 0 3 235.293 3.615 20 30 BHEDHN C=C(C)CN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000464724840 388102358 /nfs/dbraw/zinc/10/23/58/388102358.db2.gz KDVTYYVHURKEHT-DOMZBBRYSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000464724841 388101873 /nfs/dbraw/zinc/10/18/73/388101873.db2.gz KDVTYYVHURKEHT-IUODEOHRSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000464724842 388102534 /nfs/dbraw/zinc/10/25/34/388102534.db2.gz KDVTYYVHURKEHT-SWLSCSKDSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000464724843 388102198 /nfs/dbraw/zinc/10/21/98/388102198.db2.gz KDVTYYVHURKEHT-WFASDCNBSA-N 0 3 233.330 3.785 20 30 BHEDHN C=CCN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000464728221 388102489 /nfs/dbraw/zinc/10/24/89/388102489.db2.gz XXSDRQPAKONECG-GOSISDBHSA-N 0 3 249.357 3.972 20 30 BHEDHN C=CCN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000464728222 388101839 /nfs/dbraw/zinc/10/18/39/388101839.db2.gz XXSDRQPAKONECG-SFHVURJKSA-N 0 3 249.357 3.972 20 30 BHEDHN CC#CCN1CCCC[C@H]1c1cccc(C)c1C ZINC000464778865 388103591 /nfs/dbraw/zinc/10/35/91/388103591.db2.gz SNBJRGDFJJVHCL-KRWDZBQOSA-N 0 3 241.378 3.854 20 30 BHEDHN CC#CCN1CCCC[C@@H]1c1cccc(C)c1C ZINC000464778866 388103512 /nfs/dbraw/zinc/10/35/12/388103512.db2.gz SNBJRGDFJJVHCL-QGZVFWFLSA-N 0 3 241.378 3.854 20 30 BHEDHN C=CCN1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000464827117 388105153 /nfs/dbraw/zinc/10/51/53/388105153.db2.gz BEFQEZXLCQATEF-GXTWGEPZSA-N 0 3 233.355 3.801 20 30 BHEDHN C=CCN1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC000464827118 388105160 /nfs/dbraw/zinc/10/51/60/388105160.db2.gz BEFQEZXLCQATEF-JSGCOSHPSA-N 0 3 233.355 3.801 20 30 BHEDHN C=CCN1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 ZINC000464827119 388104263 /nfs/dbraw/zinc/10/42/63/388104263.db2.gz BEFQEZXLCQATEF-OCCSQVGLSA-N 0 3 233.355 3.801 20 30 BHEDHN C=CCN1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000464827120 388104151 /nfs/dbraw/zinc/10/41/51/388104151.db2.gz BEFQEZXLCQATEF-TZMCWYRMSA-N 0 3 233.355 3.801 20 30 BHEDHN C=C(C)CN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464831440 388106298 /nfs/dbraw/zinc/10/62/98/388106298.db2.gz AZPKMFDQGCULER-GXTWGEPZSA-N 0 3 233.355 3.937 20 30 BHEDHN C=C(C)CN1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000464831441 388106384 /nfs/dbraw/zinc/10/63/84/388106384.db2.gz AZPKMFDQGCULER-JSGCOSHPSA-N 0 3 233.355 3.937 20 30 BHEDHN C=C(C)CN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000464831442 388105547 /nfs/dbraw/zinc/10/55/47/388105547.db2.gz AZPKMFDQGCULER-OCCSQVGLSA-N 0 3 233.355 3.937 20 30 BHEDHN C=C(C)CN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464831443 388106402 /nfs/dbraw/zinc/10/64/02/388106402.db2.gz AZPKMFDQGCULER-TZMCWYRMSA-N 0 3 233.355 3.937 20 30 BHEDHN C=C(C)CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464851394 388105478 /nfs/dbraw/zinc/10/54/78/388105478.db2.gz GMXFFSYGXSVYGO-CHWSQXEVSA-N 0 3 219.328 3.629 20 30 BHEDHN C=C(C)CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464851395 388105455 /nfs/dbraw/zinc/10/54/55/388105455.db2.gz GMXFFSYGXSVYGO-OLZOCXBDSA-N 0 3 219.328 3.629 20 30 BHEDHN C=C(C)CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464851396 388106211 /nfs/dbraw/zinc/10/62/11/388106211.db2.gz GMXFFSYGXSVYGO-QWHCGFSZSA-N 0 3 219.328 3.629 20 30 BHEDHN C=C(C)CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000464851397 388106367 /nfs/dbraw/zinc/10/63/67/388106367.db2.gz GMXFFSYGXSVYGO-STQMWFEESA-N 0 3 219.328 3.629 20 30 BHEDHN CCN(CC[C@@H]1CCC[C@@H](C)C1)C[C@@H](C)C#N ZINC000464866290 388107632 /nfs/dbraw/zinc/10/76/32/388107632.db2.gz CLRVWHWJBROTKQ-ILXRZTDVSA-N 0 3 236.403 3.684 20 30 BHEDHN CCN(CC[C@@H]1CCC[C@@H](C)C1)C[C@H](C)C#N ZINC000464866291 388107223 /nfs/dbraw/zinc/10/72/23/388107223.db2.gz CLRVWHWJBROTKQ-KFWWJZLASA-N 0 3 236.403 3.684 20 30 BHEDHN CCN(CC[C@@H]1CCC[C@H](C)C1)C[C@@H](C)C#N ZINC000464866292 388107249 /nfs/dbraw/zinc/10/72/49/388107249.db2.gz CLRVWHWJBROTKQ-KKUMJFAQSA-N 0 3 236.403 3.684 20 30 BHEDHN CCN(CC[C@@H]1CCC[C@H](C)C1)C[C@H](C)C#N ZINC000464866293 388107295 /nfs/dbraw/zinc/10/72/95/388107295.db2.gz CLRVWHWJBROTKQ-ZNMIVQPWSA-N 0 3 236.403 3.684 20 30 BHEDHN C=C(C)CN1CCC(=Cc2ccccc2F)CC1 ZINC000464875368 388107615 /nfs/dbraw/zinc/10/76/15/388107615.db2.gz KVWPNLDKHAYWSK-UHFFFAOYSA-N 0 3 245.341 3.881 20 30 BHEDHN C=CCCN(C)c1cc(C)nc2ccccc21 ZINC000466384005 527325017 /nfs/dbraw/zinc/32/50/17/527325017.db2.gz QHUFAIPXAPLDKR-UHFFFAOYSA-N 0 3 226.323 3.556 20 30 BHEDHN C=CCCN(C)c1ccnc2ccc(C)cc21 ZINC000466396201 388117684 /nfs/dbraw/zinc/11/76/84/388117684.db2.gz PKUFQHPOQOSMGO-UHFFFAOYSA-N 0 3 226.323 3.556 20 30 BHEDHN C[C@@H]1CC[C@H](C)N1CC#Cc1ccc(Cl)cc1 ZINC000466656428 388120536 /nfs/dbraw/zinc/12/05/36/388120536.db2.gz AXHUNPPLNYLPIQ-BETUJISGSA-N 0 3 247.769 3.564 20 30 BHEDHN C[C@@H]1CC[C@@H](C)N1CC#Cc1ccc(Cl)cc1 ZINC000466656431 388120253 /nfs/dbraw/zinc/12/02/53/388120253.db2.gz AXHUNPPLNYLPIQ-CHWSQXEVSA-N 0 3 247.769 3.564 20 30 BHEDHN C[C@H]1CC[C@H](C)N1CC#Cc1ccc(Cl)cc1 ZINC000466656433 388120599 /nfs/dbraw/zinc/12/05/99/388120599.db2.gz AXHUNPPLNYLPIQ-STQMWFEESA-N 0 3 247.769 3.564 20 30 BHEDHN C=CCN(C[C@@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000467190267 526330392 /nfs/dbraw/zinc/33/03/92/526330392.db2.gz FUDWXNRYTHJAOQ-HNNXBMFYSA-N 0 3 249.398 3.519 20 30 BHEDHN C=CCN(C[C@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000467190268 526330133 /nfs/dbraw/zinc/33/01/33/526330133.db2.gz FUDWXNRYTHJAOQ-OAHLLOKOSA-N 0 3 249.398 3.519 20 30 BHEDHN C=C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000467193585 526902603 /nfs/dbraw/zinc/90/26/03/526902603.db2.gz ZTDQOMUVPNYJSU-HNNXBMFYSA-N 0 3 249.398 3.520 20 30 BHEDHN C=C1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000467193586 526905074 /nfs/dbraw/zinc/90/50/74/526905074.db2.gz ZTDQOMUVPNYJSU-OAHLLOKOSA-N 0 3 249.398 3.520 20 30 BHEDHN C=CCN(CC=C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000467201984 527641951 /nfs/dbraw/zinc/64/19/51/527641951.db2.gz PLRMHCDIUBRSTF-HNNXBMFYSA-N 0 3 249.398 3.542 20 30 BHEDHN C=CCN(CC=C)C[C@H]1CCC2(CCCCC2)O1 ZINC000467201985 527642064 /nfs/dbraw/zinc/64/20/64/527642064.db2.gz PLRMHCDIUBRSTF-OAHLLOKOSA-N 0 3 249.398 3.542 20 30 BHEDHN C=CCCN(C)Cc1ccccc1OCC(C)C ZINC000467284031 527323036 /nfs/dbraw/zinc/32/30/36/527323036.db2.gz NWIORFGENPXYPF-UHFFFAOYSA-N 0 3 247.382 3.729 20 30 BHEDHN C=CCCN(C)[C@@H](CC)c1ccc(F)cc1F ZINC000467286394 527324121 /nfs/dbraw/zinc/32/41/21/527324121.db2.gz UQXGSAFKPSMGJR-AWEZNQCLSA-N 0 3 239.309 3.924 20 30 BHEDHN C=CCCN(C)[C@H](CC)c1ccc(F)cc1F ZINC000467286395 527323629 /nfs/dbraw/zinc/32/36/29/527323629.db2.gz UQXGSAFKPSMGJR-CQSZACIVSA-N 0 3 239.309 3.924 20 30 BHEDHN C=CCCN(C)Cc1ccc(-c2ccccc2)o1 ZINC000467366716 527320092 /nfs/dbraw/zinc/32/00/92/527320092.db2.gz AVBMTXSGZSHBJI-UHFFFAOYSA-N 0 3 241.334 3.955 20 30 BHEDHN C=CCCN(C)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000467369947 527319610 /nfs/dbraw/zinc/31/96/10/527319610.db2.gz NGQLIPKPEKOQKZ-UHFFFAOYSA-N 0 3 242.366 3.793 20 30 BHEDHN C=CCCN(C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000467389507 527321580 /nfs/dbraw/zinc/32/15/80/527321580.db2.gz QPTMKTBLBYHSQY-UHFFFAOYSA-N 0 3 242.366 3.793 20 30 BHEDHN C=CCCN(C)Cc1cccn1CCC(C)C ZINC000467389601 527322443 /nfs/dbraw/zinc/32/24/43/527322443.db2.gz RDHWPLQPNCFTDU-UHFFFAOYSA-N 0 3 234.387 3.542 20 30 BHEDHN C=CC[C@H](CC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000467417962 527164883 /nfs/dbraw/zinc/16/48/83/527164883.db2.gz KWRCWFLSQWGDEW-AAEUAGOBSA-N 0 3 246.329 3.703 20 30 BHEDHN C=CC[C@@H](CC)N[C@H](C)c1ccc(C#N)cc1F ZINC000467417963 527054584 /nfs/dbraw/zinc/05/45/84/527054584.db2.gz KWRCWFLSQWGDEW-DGCLKSJQSA-N 0 3 246.329 3.703 20 30 BHEDHN C=CC[C@@H](CC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000467417964 527055092 /nfs/dbraw/zinc/05/50/92/527055092.db2.gz KWRCWFLSQWGDEW-WCQYABFASA-N 0 3 246.329 3.703 20 30 BHEDHN C=CC[C@H](CC)N[C@H](C)c1ccc(C#N)cc1F ZINC000467417965 527164313 /nfs/dbraw/zinc/16/43/13/527164313.db2.gz KWRCWFLSQWGDEW-YPMHNXCESA-N 0 3 246.329 3.703 20 30 BHEDHN C=CCC[C@H](CC)N[C@@H]1COc2ccc(F)cc21 ZINC000468048197 527467151 /nfs/dbraw/zinc/46/71/51/527467151.db2.gz FQRRGQDFBPIXBX-GXTWGEPZSA-N 0 3 249.329 3.594 20 30 BHEDHN C=CCC[C@H](CC)N[C@H]1COc2ccc(F)cc21 ZINC000468048198 527467013 /nfs/dbraw/zinc/46/70/13/527467013.db2.gz FQRRGQDFBPIXBX-JSGCOSHPSA-N 0 3 249.329 3.594 20 30 BHEDHN C=CCC[C@@H](CC)N[C@H]1COc2ccc(F)cc21 ZINC000468048199 527426692 /nfs/dbraw/zinc/42/66/92/527426692.db2.gz FQRRGQDFBPIXBX-OCCSQVGLSA-N 0 3 249.329 3.594 20 30 BHEDHN C=CCC[C@@H](CC)N[C@@H]1COc2ccc(F)cc21 ZINC000468048200 527427244 /nfs/dbraw/zinc/42/72/44/527427244.db2.gz FQRRGQDFBPIXBX-TZMCWYRMSA-N 0 3 249.329 3.594 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H]1CCC(C)C ZINC000468474443 529301128 /nfs/dbraw/zinc/30/11/28/529301128.db2.gz FXPBLEYIZLCJJB-KFWWJZLASA-N 0 3 236.403 3.873 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1CCC(C)C ZINC000468474444 529301458 /nfs/dbraw/zinc/30/14/58/529301458.db2.gz FXPBLEYIZLCJJB-RBSFLKMASA-N 0 3 236.403 3.873 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H]1CCC(C)C ZINC000468474445 529301174 /nfs/dbraw/zinc/30/11/74/529301174.db2.gz FXPBLEYIZLCJJB-RRFJBIMHSA-N 0 3 236.403 3.873 20 30 BHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H]1CCC(C)C ZINC000468474446 529301100 /nfs/dbraw/zinc/30/11/00/529301100.db2.gz FXPBLEYIZLCJJB-ZNMIVQPWSA-N 0 3 236.403 3.873 20 30 BHEDHN C=CCN(Cc1ccc(Cl)cc1C)C1CC1 ZINC000468482740 526334479 /nfs/dbraw/zinc/33/44/79/526334479.db2.gz GCKJICZBMOYUJN-UHFFFAOYSA-N 0 3 235.758 3.799 20 30 BHEDHN C=C(C)CN(C)Cc1ccc(Cl)cc1C ZINC000468519925 526501518 /nfs/dbraw/zinc/50/15/18/526501518.db2.gz XQKIUBQBJKIDFW-UHFFFAOYSA-N 0 3 223.747 3.656 20 30 BHEDHN CC1(C)CCCCN(Cc2ccccc2C#N)C1 ZINC000469976449 528913827 /nfs/dbraw/zinc/91/38/27/528913827.db2.gz XTJHOIDYHTZQMF-UHFFFAOYSA-N 0 3 242.366 3.570 20 30 BHEDHN C=C(CC)CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000469993315 526854607 /nfs/dbraw/zinc/85/46/07/526854607.db2.gz SWDDZZPAGGULES-JTQLQIEISA-N 0 3 235.293 3.615 20 30 BHEDHN C=C(CC)CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000469993316 526852720 /nfs/dbraw/zinc/85/27/20/526852720.db2.gz SWDDZZPAGGULES-SNVBAGLBSA-N 0 3 235.293 3.615 20 30 BHEDHN C=CCN(CC=C)Cc1cccc(C(F)F)c1 ZINC000470721605 527643577 /nfs/dbraw/zinc/64/35/77/527643577.db2.gz CZAFDJOGWNRTKH-UHFFFAOYSA-N 0 3 237.293 3.798 20 30 BHEDHN C=C(CC)CN(C)Cc1ccccc1SC ZINC000471008261 526850762 /nfs/dbraw/zinc/85/07/62/526850762.db2.gz PPPQEEHOWDKXDZ-UHFFFAOYSA-N 0 3 235.396 3.807 20 30 BHEDHN CCC(C)(C)N(C)CC#Cc1ccccc1Cl ZINC000471018343 528537942 /nfs/dbraw/zinc/53/79/42/528537942.db2.gz NEMYLZIWZUUQDA-UHFFFAOYSA-N 0 3 249.785 3.812 20 30 BHEDHN CCC(C)(C)N(C)CC#Cc1cccc(Cl)c1 ZINC000471021098 528537635 /nfs/dbraw/zinc/53/76/35/528537635.db2.gz IIMDMCUSNKILQI-UHFFFAOYSA-N 0 3 249.785 3.812 20 30 BHEDHN CCC(C)(C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000471079774 528538937 /nfs/dbraw/zinc/53/89/37/528538937.db2.gz DIUYQNSZZLSSDO-UHFFFAOYSA-N 0 3 249.785 3.812 20 30 BHEDHN C=CCCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000471594925 527171198 /nfs/dbraw/zinc/17/11/98/527171198.db2.gz RKMLYKFBQHCWJC-GFCCVEGCSA-N 0 3 246.329 3.704 20 30 BHEDHN C=CCCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000471594929 527169571 /nfs/dbraw/zinc/16/95/71/527169571.db2.gz RKMLYKFBQHCWJC-LBPRGKRZSA-N 0 3 246.329 3.704 20 30 BHEDHN C=CCCCCN[C@H](C)c1ncccc1CC ZINC000471613259 527170883 /nfs/dbraw/zinc/17/08/83/527170883.db2.gz IDJUXBOOQSKSNJ-CYBMUJFWSA-N 0 3 232.371 3.651 20 30 BHEDHN C=CCCCCN[C@@H](C)c1ncccc1CC ZINC000471613260 527169478 /nfs/dbraw/zinc/16/94/78/527169478.db2.gz IDJUXBOOQSKSNJ-ZDUSSCGKSA-N 0 3 232.371 3.651 20 30 BHEDHN CC(C)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000472147035 528099709 /nfs/dbraw/zinc/09/97/09/528099709.db2.gz GHYOVYPUKXISEG-GDBMZVCRSA-N 0 3 242.366 3.592 20 30 BHEDHN CC(C)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000472147036 528101732 /nfs/dbraw/zinc/10/17/32/528101732.db2.gz GHYOVYPUKXISEG-HOCLYGCPSA-N 0 3 242.366 3.592 20 30 BHEDHN CC(C)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000472147037 528101810 /nfs/dbraw/zinc/10/18/10/528101810.db2.gz GHYOVYPUKXISEG-ZBFHGGJFSA-N 0 3 242.366 3.592 20 30 BHEDHN C=C(C)CN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000472237861 526607849 /nfs/dbraw/zinc/60/78/49/526607849.db2.gz HYHWCMMDGDJKSF-DOMZBBRYSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000472237879 526608446 /nfs/dbraw/zinc/60/84/46/526608446.db2.gz HYHWCMMDGDJKSF-IUODEOHRSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000472237880 526608496 /nfs/dbraw/zinc/60/84/96/526608496.db2.gz HYHWCMMDGDJKSF-SWLSCSKDSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000472237881 526607713 /nfs/dbraw/zinc/60/77/13/526607713.db2.gz HYHWCMMDGDJKSF-WFASDCNBSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472326195 526608075 /nfs/dbraw/zinc/60/80/75/526608075.db2.gz ZWSVPRWDSZCOPT-DOMZBBRYSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472326199 526607300 /nfs/dbraw/zinc/60/73/00/526607300.db2.gz ZWSVPRWDSZCOPT-IUODEOHRSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472326405 526607565 /nfs/dbraw/zinc/60/75/65/526607565.db2.gz ZWSVPRWDSZCOPT-SWLSCSKDSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472326407 526608492 /nfs/dbraw/zinc/60/84/92/526608492.db2.gz ZWSVPRWDSZCOPT-WFASDCNBSA-N 0 3 233.330 3.785 20 30 BHEDHN C=CCN(Cc1cccc(SCC)c1)C1CC1 ZINC000473128172 526346913 /nfs/dbraw/zinc/34/69/13/526346913.db2.gz NKYLDXJQLBDLRK-UHFFFAOYSA-N 0 3 247.407 3.949 20 30 BHEDHN C=C(C)CN(C)Cc1cccc(SCC)c1 ZINC000473129615 526504505 /nfs/dbraw/zinc/50/45/05/526504505.db2.gz UJHOALBDNMQGDE-UHFFFAOYSA-N 0 3 235.396 3.807 20 30 BHEDHN C=C(C)CN(C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000473130024 526502214 /nfs/dbraw/zinc/50/22/14/526502214.db2.gz XMVFVMZKZGNJAA-UHFFFAOYSA-N 0 3 242.366 3.793 20 30 BHEDHN C=C[C@@H](C)N[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474039981 527416548 /nfs/dbraw/zinc/41/65/48/527416548.db2.gz WTTLSCLCQWIYJF-ABAIWWIYSA-N 0 3 245.366 3.582 20 30 BHEDHN C=C[C@@H](C)N[C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474039983 527416366 /nfs/dbraw/zinc/41/63/66/527416366.db2.gz WTTLSCLCQWIYJF-IAQYHMDHSA-N 0 3 245.366 3.582 20 30 BHEDHN C=C[C@H](C)N[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474039984 527571577 /nfs/dbraw/zinc/57/15/77/527571577.db2.gz WTTLSCLCQWIYJF-NHYWBVRUSA-N 0 3 245.366 3.582 20 30 BHEDHN C=C[C@H](C)N[C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474039985 527571599 /nfs/dbraw/zinc/57/15/99/527571599.db2.gz WTTLSCLCQWIYJF-XHDPSFHLSA-N 0 3 245.366 3.582 20 30 BHEDHN CC[C@H](CC#N)N[C@H](C)[C@H](C)C1CCCCC1 ZINC000474922096 529301503 /nfs/dbraw/zinc/30/15/03/529301503.db2.gz FZIIRYHAFTWVPT-GZBFAFLISA-N 0 3 236.403 3.873 20 30 BHEDHN CC[C@H](CC#N)N[C@@H](C)[C@H](C)C1CCCCC1 ZINC000474922103 529301549 /nfs/dbraw/zinc/30/15/49/529301549.db2.gz FZIIRYHAFTWVPT-KCQAQPDRSA-N 0 3 236.403 3.873 20 30 BHEDHN CC[C@H](CC#N)N[C@H](C)[C@@H](C)C1CCCCC1 ZINC000474922104 529301413 /nfs/dbraw/zinc/30/14/13/529301413.db2.gz FZIIRYHAFTWVPT-UMVBOHGHSA-N 0 3 236.403 3.873 20 30 BHEDHN CC[C@H](CC#N)N[C@@H](C)[C@@H](C)C1CCCCC1 ZINC000474922107 529301229 /nfs/dbraw/zinc/30/12/29/529301229.db2.gz FZIIRYHAFTWVPT-VNHYZAJKSA-N 0 3 236.403 3.873 20 30 BHEDHN C=C(C)CN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000475711578 526626860 /nfs/dbraw/zinc/62/68/60/526626860.db2.gz CICOUQQPROECOB-JTQLQIEISA-N 0 3 233.286 3.799 20 30 BHEDHN C=C(C)CN[C@H](C)c1cc2cccc(F)c2o1 ZINC000475711588 526626354 /nfs/dbraw/zinc/62/63/54/526626354.db2.gz CICOUQQPROECOB-SNVBAGLBSA-N 0 3 233.286 3.799 20 30 BHEDHN C=CCN(C)C1c2ccccc2-c2ccccc21 ZINC000477721022 527573055 /nfs/dbraw/zinc/57/30/55/527573055.db2.gz GOFCAJFVGSNHKZ-UHFFFAOYSA-N 0 3 235.330 3.874 20 30 BHEDHN CC(C)=CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000479282866 527408460 /nfs/dbraw/zinc/40/84/60/527408460.db2.gz LGIUXEWWNQPHNT-GFCCVEGCSA-N 0 3 246.329 3.704 20 30 BHEDHN CC(C)=CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000479282893 527406857 /nfs/dbraw/zinc/40/68/57/527406857.db2.gz LGIUXEWWNQPHNT-LBPRGKRZSA-N 0 3 246.329 3.704 20 30 BHEDHN C=C(C)[C@H](NCC(C)C)c1ccc(F)c(F)c1 ZINC000479411141 526820326 /nfs/dbraw/zinc/82/03/26/526820326.db2.gz QQDNWWDGSDOULD-AWEZNQCLSA-N 0 3 239.309 3.828 20 30 BHEDHN C=C(C)[C@@H](NCC(C)C)c1ccc(F)c(F)c1 ZINC000479411142 526755964 /nfs/dbraw/zinc/75/59/64/526755964.db2.gz QQDNWWDGSDOULD-CQSZACIVSA-N 0 3 239.309 3.828 20 30 BHEDHN C=CCN(CCC1CC1)Cc1ccccc1F ZINC000480525201 526273485 /nfs/dbraw/zinc/27/34/85/526273485.db2.gz SWHHDVLYWSRONW-UHFFFAOYSA-N 0 3 233.330 3.614 20 30 BHEDHN C=CCN(Cc1cccs1)C[C@H](C)CC ZINC000480756659 526378011 /nfs/dbraw/zinc/37/80/11/526378011.db2.gz BFDGGKUHDSDAHF-GFCCVEGCSA-N 0 3 223.385 3.782 20 30 BHEDHN C=CCN(Cc1cccs1)C[C@@H](C)CC ZINC000480756660 526377576 /nfs/dbraw/zinc/37/75/76/526377576.db2.gz BFDGGKUHDSDAHF-LBPRGKRZSA-N 0 3 223.385 3.782 20 30 BHEDHN C=C1CCN(CCCc2cccc(C)c2)CC1 ZINC000481086364 526903457 /nfs/dbraw/zinc/90/34/57/526903457.db2.gz DCULUVZRQLVXER-UHFFFAOYSA-N 0 3 229.367 3.580 20 30 BHEDHN CCC(CC)CN(CCC#N)C[C@H](C)CC ZINC000481116719 528749529 /nfs/dbraw/zinc/74/95/29/528749529.db2.gz WPDHNARSXMQDCG-CYBMUJFWSA-N 0 3 224.392 3.684 20 30 BHEDHN CCC(CC)CN(CCC#N)C[C@@H](C)CC ZINC000481116756 528750257 /nfs/dbraw/zinc/75/02/57/528750257.db2.gz WPDHNARSXMQDCG-ZDUSSCGKSA-N 0 3 224.392 3.684 20 30 BHEDHN C=C(C)CN(C)CCc1c(F)cccc1Cl ZINC000481273935 526502815 /nfs/dbraw/zinc/50/28/15/526502815.db2.gz ZJIBDURGZFPFJA-UHFFFAOYSA-N 0 3 241.737 3.530 20 30 BHEDHN C=C(C)CN(C)[C@H]1CCCc2ccc(F)cc21 ZINC000481278151 526506379 /nfs/dbraw/zinc/50/63/79/526506379.db2.gz BQBDTIUQBKRZHZ-HNNXBMFYSA-N 0 3 233.330 3.711 20 30 BHEDHN C=C(C)CN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC000481278152 526506806 /nfs/dbraw/zinc/50/68/06/526506806.db2.gz BQBDTIUQBKRZHZ-OAHLLOKOSA-N 0 3 233.330 3.711 20 30 BHEDHN C=C(C)CN(C)[C@H]1CCc2c1cccc2Cl ZINC000481289140 526507430 /nfs/dbraw/zinc/50/74/30/526507430.db2.gz UFFHDEBKZXUHGJ-AWEZNQCLSA-N 0 3 235.758 3.835 20 30 BHEDHN C=C(C)CN(C)[C@@H]1CCc2c1cccc2Cl ZINC000481289148 526507420 /nfs/dbraw/zinc/50/74/20/526507420.db2.gz UFFHDEBKZXUHGJ-CQSZACIVSA-N 0 3 235.758 3.835 20 30 BHEDHN C=C(C)[C@H](NCCCC)c1ccc(F)c(F)c1 ZINC000481576122 526820919 /nfs/dbraw/zinc/82/09/19/526820919.db2.gz VYSYRWHOGYKWMU-AWEZNQCLSA-N 0 3 239.309 3.972 20 30 BHEDHN C=C(C)[C@@H](NCCCC)c1ccc(F)c(F)c1 ZINC000481576123 526755987 /nfs/dbraw/zinc/75/59/87/526755987.db2.gz VYSYRWHOGYKWMU-CQSZACIVSA-N 0 3 239.309 3.972 20 30 BHEDHN C=CCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000481812988 526454439 /nfs/dbraw/zinc/45/44/39/526454439.db2.gz GIKUTDIWQDMGMM-UHFFFAOYSA-N 0 3 235.758 3.705 20 30 BHEDHN C=C(C)CN(C)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000482150990 526502568 /nfs/dbraw/zinc/50/25/68/526502568.db2.gz RQNVEPVBKHFFOW-UHFFFAOYSA-N 0 3 242.366 3.793 20 30 BHEDHN CC[C@@H](C)CN(CC)Cc1ccc(F)cc1C#N ZINC000482857800 529319426 /nfs/dbraw/zinc/31/94/26/529319426.db2.gz NRYILKBGFIXPLQ-GFCCVEGCSA-N 0 3 248.345 3.565 20 30 BHEDHN CC[C@H](C)CN(CC)Cc1ccc(F)cc1C#N ZINC000482857812 529658459 /nfs/dbraw/zinc/65/84/59/529658459.db2.gz NRYILKBGFIXPLQ-LBPRGKRZSA-N 0 3 248.345 3.565 20 30 BHEDHN C=C(C)CN1CCCC[C@H]1c1ccc(F)cc1 ZINC000482898638 526606626 /nfs/dbraw/zinc/60/66/26/526606626.db2.gz JGFALFUADXGEIV-HNNXBMFYSA-N 0 3 233.330 3.929 20 30 BHEDHN C=C(C)CN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482898641 526606615 /nfs/dbraw/zinc/60/66/15/526606615.db2.gz JGFALFUADXGEIV-OAHLLOKOSA-N 0 3 233.330 3.929 20 30 BHEDHN C=CCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000482915490 526456958 /nfs/dbraw/zinc/45/69/58/526456958.db2.gz ATLOLWDIYQQWRO-AWEZNQCLSA-N 0 3 219.303 3.539 20 30 BHEDHN C=CCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482915491 526454139 /nfs/dbraw/zinc/45/41/39/526454139.db2.gz ATLOLWDIYQQWRO-CQSZACIVSA-N 0 3 219.303 3.539 20 30 BHEDHN C=CCN1CCC(c2cccc(Cl)c2)CC1 ZINC000483100840 526454940 /nfs/dbraw/zinc/45/49/40/526454940.db2.gz UAHKVHJRISCTRE-UHFFFAOYSA-N 0 3 235.758 3.705 20 30 BHEDHN CN(CC#Cc1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000483104541 529822817 /nfs/dbraw/zinc/82/28/17/529822817.db2.gz VFEQTERKLWFQFX-INIZCTEOSA-N 0 3 241.378 3.549 20 30 BHEDHN CN(CC#Cc1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000483104542 529823414 /nfs/dbraw/zinc/82/34/14/529823414.db2.gz VFEQTERKLWFQFX-MRXNPFEDSA-N 0 3 241.378 3.549 20 30 BHEDHN CC1=C(C)CN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000483351279 528090351 /nfs/dbraw/zinc/09/03/51/528090351.db2.gz PNSPNSNQHZDZEU-AWEZNQCLSA-N 0 3 240.350 3.661 20 30 BHEDHN CC1=C(C)CN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000483351290 528091142 /nfs/dbraw/zinc/09/11/42/528091142.db2.gz PNSPNSNQHZDZEU-CQSZACIVSA-N 0 3 240.350 3.661 20 30 BHEDHN CC1=C(C)CN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000483378461 528089783 /nfs/dbraw/zinc/08/97/83/528089783.db2.gz NVFVKHLFFYIAAR-AWEZNQCLSA-N 0 3 240.350 3.661 20 30 BHEDHN CC1=C(C)CN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000483378462 528089737 /nfs/dbraw/zinc/08/97/37/528089737.db2.gz NVFVKHLFFYIAAR-CQSZACIVSA-N 0 3 240.350 3.661 20 30 BHEDHN C=C1CCN(CCCC2CCCC2)CC1 ZINC000483398159 526903719 /nfs/dbraw/zinc/90/37/19/526903719.db2.gz UBLQQQPDDZKCJB-UHFFFAOYSA-N 0 3 207.361 3.609 20 30 BHEDHN C[C@@H](c1ccccc1)N(C)CC#Cc1ccccc1 ZINC000483511774 534101496 /nfs/dbraw/zinc/10/14/96/534101496.db2.gz GCTHSWAKDBLVDM-INIZCTEOSA-N 0 3 249.357 3.731 20 30 BHEDHN C[C@H](c1ccccc1)N(C)CC#Cc1ccccc1 ZINC000483511775 225243765 /nfs/dbraw/zinc/24/37/65/225243765.db2.gz GCTHSWAKDBLVDM-MRXNPFEDSA-N 0 3 249.357 3.731 20 30 BHEDHN CCN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000483516344 527878702 /nfs/dbraw/zinc/87/87/02/527878702.db2.gz GJHVZTZUSOAOKT-UHFFFAOYSA-N 0 3 249.357 3.560 20 30 BHEDHN CC(C)CCN(CC#Cc1ccccc1)C1CC1 ZINC000483519031 538875147 /nfs/dbraw/zinc/87/51/47/538875147.db2.gz OLPQUBXZYFUKTB-UHFFFAOYSA-N 0 3 241.378 3.549 20 30 BHEDHN CN(CC#Cc1ccccc1)CC1CCCCC1 ZINC000483519189 529823401 /nfs/dbraw/zinc/82/34/01/529823401.db2.gz ZPEDEXJELNIPGP-UHFFFAOYSA-N 0 3 241.378 3.550 20 30 BHEDHN C[C@H]1CCC[C@@H](N(C)CC#Cc2ccccc2)C1 ZINC000483519322 225244408 /nfs/dbraw/zinc/24/44/08/225244408.db2.gz LYTGFSSBWHSMIY-DOTOQJQBSA-N 0 3 241.378 3.549 20 30 BHEDHN C[C@@H]1CCC[C@@H](N(C)CC#Cc2ccccc2)C1 ZINC000483519323 533761377 /nfs/dbraw/zinc/76/13/77/533761377.db2.gz LYTGFSSBWHSMIY-NVXWUHKLSA-N 0 3 241.378 3.549 20 30 BHEDHN C[C@H]1CCC[C@H](N(C)CC#Cc2ccccc2)C1 ZINC000483519324 225244108 /nfs/dbraw/zinc/24/41/08/225244108.db2.gz LYTGFSSBWHSMIY-RDJZCZTQSA-N 0 3 241.378 3.549 20 30 BHEDHN C[C@@H]1CCC[C@H](N(C)CC#Cc2ccccc2)C1 ZINC000483519325 225243882 /nfs/dbraw/zinc/24/38/82/225243882.db2.gz LYTGFSSBWHSMIY-WBVHZDCISA-N 0 3 241.378 3.549 20 30 BHEDHN CN(CC#Cc1ccccc1)C1CCCCCC1 ZINC000483519494 529823124 /nfs/dbraw/zinc/82/31/24/529823124.db2.gz NKADZOGELNPPAE-UHFFFAOYSA-N 0 3 241.378 3.693 20 30 BHEDHN CC1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC000483523820 528191824 /nfs/dbraw/zinc/19/18/24/528191824.db2.gz LFDNOUCKRNPFBT-UHFFFAOYSA-N 0 3 241.378 3.549 20 30 BHEDHN CCC1(C)CCN(CC#Cc2ccccc2)CC1 ZINC000483553873 529021545 /nfs/dbraw/zinc/02/15/45/529021545.db2.gz AKQFVBOGYDLSNP-UHFFFAOYSA-N 0 3 241.378 3.550 20 30 BHEDHN CC(C)(C)[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000483604558 526653771 /nfs/dbraw/zinc/65/37/71/526653771.db2.gz VLMOHGLFHJVODZ-INIZCTEOSA-N 0 3 241.378 3.549 20 30 BHEDHN CC(C)(C)[C@H]1CCCN1CC#Cc1ccccc1 ZINC000483604560 526721593 /nfs/dbraw/zinc/72/15/93/526721593.db2.gz VLMOHGLFHJVODZ-MRXNPFEDSA-N 0 3 241.378 3.549 20 30 BHEDHN CCC1(CC)CCN(CC#Cc2ccccc2)C1 ZINC000483929315 529057046 /nfs/dbraw/zinc/05/70/46/529057046.db2.gz UQUYREGELOKGBB-UHFFFAOYSA-N 0 3 241.378 3.550 20 30 BHEDHN CC(C)[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000483931434 528649566 /nfs/dbraw/zinc/64/95/66/528649566.db2.gz SOXZDILTJOQORR-KRWDZBQOSA-N 0 3 241.378 3.549 20 30 BHEDHN CC(C)[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000483931435 527759830 /nfs/dbraw/zinc/75/98/30/527759830.db2.gz SOXZDILTJOQORR-QGZVFWFLSA-N 0 3 241.378 3.549 20 30 BHEDHN C=CCCCCCN(C)CC#Cc1ccccc1 ZINC000483962979 527127137 /nfs/dbraw/zinc/12/71/37/527127137.db2.gz WZKASXQZPQCOAD-UHFFFAOYSA-N 0 3 241.378 3.716 20 30 BHEDHN CC[C@@]1(C)CCCN(CC#Cc2ccccc2)C1 ZINC000483986390 529523204 /nfs/dbraw/zinc/52/32/04/529523204.db2.gz RWRVVBSFCDGLCF-KRWDZBQOSA-N 0 3 241.378 3.550 20 30 BHEDHN CC[C@]1(C)CCCN(CC#Cc2ccccc2)C1 ZINC000483986392 529395691 /nfs/dbraw/zinc/39/56/91/529395691.db2.gz RWRVVBSFCDGLCF-QGZVFWFLSA-N 0 3 241.378 3.550 20 30 BHEDHN C=CCCCN1CCc2cc(Cl)ccc2C1 ZINC000484021931 527199543 /nfs/dbraw/zinc/19/95/43/527199543.db2.gz WIXRGGVCJKYNFH-UHFFFAOYSA-N 0 3 235.758 3.664 20 30 BHEDHN C=C(CC)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484345211 526853529 /nfs/dbraw/zinc/85/35/29/526853529.db2.gz WDGVXXCUWWSFCA-LLVKDONJSA-N 0 3 249.320 3.863 20 30 BHEDHN C=C(CC)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484345212 526854144 /nfs/dbraw/zinc/85/41/44/526854144.db2.gz WDGVXXCUWWSFCA-NSHDSACASA-N 0 3 249.320 3.863 20 30 BHEDHN CC(C)CCN(CCC#N)CCC1CCCC1 ZINC000484901931 527716330 /nfs/dbraw/zinc/71/63/30/527716330.db2.gz VPNWQLSUTQIWKG-UHFFFAOYSA-N 0 3 236.403 3.828 20 30 BHEDHN C=CCCCN(C)Cc1cc(F)cc(Cl)c1 ZINC000485730166 527192440 /nfs/dbraw/zinc/19/24/40/527192440.db2.gz ZSXVSPLWAWDOLZ-UHFFFAOYSA-N 0 3 241.737 3.877 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc2ncsc2c1 ZINC000485824153 526859781 /nfs/dbraw/zinc/85/97/81/526859781.db2.gz BPCUIEAFCDEVGM-LLVKDONJSA-N 0 3 246.379 3.913 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc2ncsc2c1 ZINC000485824158 526860359 /nfs/dbraw/zinc/86/03/59/526860359.db2.gz BPCUIEAFCDEVGM-NSHDSACASA-N 0 3 246.379 3.913 20 30 BHEDHN C=CCCCCCN1CCc2sccc2C1 ZINC000486737637 527134618 /nfs/dbraw/zinc/13/46/18/527134618.db2.gz NVQWDKOWLVBEEZ-UHFFFAOYSA-N 0 3 235.396 3.853 20 30 BHEDHN C=CCCCCCN1CCC[C@H]1c1cc(C)no1 ZINC000486809486 527131584 /nfs/dbraw/zinc/13/15/84/527131584.db2.gz NUORYXFQJXFJRD-AWEZNQCLSA-N 0 3 248.370 3.866 20 30 BHEDHN C=CCCCCCN1CCC[C@@H]1c1cc(C)no1 ZINC000486809488 527131962 /nfs/dbraw/zinc/13/19/62/527131962.db2.gz NUORYXFQJXFJRD-CQSZACIVSA-N 0 3 248.370 3.866 20 30 BHEDHN C=CCCCCCN1Cc2ccccc2C1 ZINC000487914338 527135755 /nfs/dbraw/zinc/13/57/55/527135755.db2.gz TXYMNDCXBPMGCZ-UHFFFAOYSA-N 0 3 215.340 3.749 20 30 BHEDHN C=C(CC)CN(C)Cc1ccc(F)cc1C ZINC000487987449 526850240 /nfs/dbraw/zinc/85/02/40/526850240.db2.gz KISUYJXPXBSCOK-UHFFFAOYSA-N 0 3 221.319 3.532 20 30 BHEDHN C=CCN(C)CCc1cc(Cl)ccc1Cl ZINC000488062388 527574716 /nfs/dbraw/zinc/57/47/16/527574716.db2.gz GQUFZZWYAXMTGY-UHFFFAOYSA-N 0 3 244.165 3.654 20 30 BHEDHN C=CCCCCCN(CC)Cc1ccncc1 ZINC000488129078 527130755 /nfs/dbraw/zinc/13/07/55/527130755.db2.gz SYDJZNIIZZCHGF-UHFFFAOYSA-N 0 3 232.371 3.650 20 30 BHEDHN C=CCCCCCN1CC=C(C(F)(F)F)CC1 ZINC000488149460 527133155 /nfs/dbraw/zinc/13/31/55/527133155.db2.gz YNPSRQQTQKVYTM-UHFFFAOYSA-N 0 3 247.304 3.927 20 30 BHEDHN C=CCCCCCN1CCc2ccsc2C1 ZINC000488149909 527133607 /nfs/dbraw/zinc/13/36/07/527133607.db2.gz MJZDRQDMGBDJHN-UHFFFAOYSA-N 0 3 235.396 3.853 20 30 BHEDHN C=CCCCCCN(C)Cc1cccn1CC ZINC000488190393 527128719 /nfs/dbraw/zinc/12/87/19/527128719.db2.gz CCBZBLSFMWNALL-UHFFFAOYSA-N 0 3 234.387 3.686 20 30 BHEDHN C=C(C)CN(CC)Cc1cc2ccc(F)cc2[nH]1 ZINC000488326916 526548222 /nfs/dbraw/zinc/54/82/22/526548222.db2.gz LPMHOQZXGYGFGQ-UHFFFAOYSA-N 0 3 246.329 3.705 20 30 BHEDHN C=CCCCCCN(CCC#N)CC(C)(C)C ZINC000488414053 527130053 /nfs/dbraw/zinc/13/00/53/527130053.db2.gz GHMHLSZOXKODCK-UHFFFAOYSA-N 0 3 236.403 3.995 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1cc2ccccc2o1 ZINC000489397303 388211128 /nfs/dbraw/zinc/21/11/28/388211128.db2.gz HJDKUPOSIQQYNE-AWEZNQCLSA-N 0 3 241.334 3.973 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1cc2ccccc2o1 ZINC000489397305 388210612 /nfs/dbraw/zinc/21/06/12/388210612.db2.gz HJDKUPOSIQQYNE-CQSZACIVSA-N 0 3 241.334 3.973 20 30 BHEDHN C=C[C@H]1CCCCN1CCCc1ccsc1 ZINC000489410230 388211575 /nfs/dbraw/zinc/21/15/75/388211575.db2.gz UISYNCLDRVPNBF-AWEZNQCLSA-N 0 3 235.396 3.721 20 30 BHEDHN C=C[C@@H]1CCCCN1CCCc1ccsc1 ZINC000489410239 388211400 /nfs/dbraw/zinc/21/14/00/388211400.db2.gz UISYNCLDRVPNBF-CQSZACIVSA-N 0 3 235.396 3.721 20 30 BHEDHN C=C[C@H]1CCCCN1C/C=C\c1ccccc1 ZINC000489433456 388213957 /nfs/dbraw/zinc/21/39/57/388213957.db2.gz UJFYFCPSSGNPCK-CLOOOTJHSA-N 0 3 227.351 3.740 20 30 BHEDHN C=C[C@@H]1CCCCN1C/C=C\c1ccccc1 ZINC000489433459 388213788 /nfs/dbraw/zinc/21/37/88/388213788.db2.gz UJFYFCPSSGNPCK-JXMNSVBMSA-N 0 3 227.351 3.740 20 30 BHEDHN C=C[C@H]1CCCCN1C/C=C/c1ccccc1 ZINC000489433460 388213186 /nfs/dbraw/zinc/21/31/86/388213186.db2.gz UJFYFCPSSGNPCK-KXKDPZRNSA-N 0 3 227.351 3.740 20 30 BHEDHN C=C[C@@H]1CCCCN1C/C=C/c1ccccc1 ZINC000489433462 388213844 /nfs/dbraw/zinc/21/38/44/388213844.db2.gz UJFYFCPSSGNPCK-YCABEKBOSA-N 0 3 227.351 3.740 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1cc(C)ccc1OC ZINC000489436455 527605784 /nfs/dbraw/zinc/60/57/84/527605784.db2.gz NANGNBJHVDNNJM-HNNXBMFYSA-N 0 3 245.366 3.544 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1cc(C)ccc1OC ZINC000489436464 388213755 /nfs/dbraw/zinc/21/37/55/388213755.db2.gz NANGNBJHVDNNJM-OAHLLOKOSA-N 0 3 245.366 3.544 20 30 BHEDHN C=C[C@@H]1CCCCN1CCCCC(F)(F)F ZINC000489452690 388215356 /nfs/dbraw/zinc/21/53/56/388215356.db2.gz WTQXQQDCBOQHHJ-LLVKDONJSA-N 0 3 235.293 3.760 20 30 BHEDHN C=C[C@H]1CCCCN1CCCCC(F)(F)F ZINC000489452692 388214751 /nfs/dbraw/zinc/21/47/51/388214751.db2.gz WTQXQQDCBOQHHJ-NSHDSACASA-N 0 3 235.293 3.760 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccc(C)cc1 ZINC000489479160 388217320 /nfs/dbraw/zinc/21/73/20/388217320.db2.gz KZLBTEBNFABZIR-HNNXBMFYSA-N 0 3 215.340 3.536 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccc(C)cc1 ZINC000489479161 388217695 /nfs/dbraw/zinc/21/76/95/388217695.db2.gz KZLBTEBNFABZIR-OAHLLOKOSA-N 0 3 215.340 3.536 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccccc1SC ZINC000489485972 388218610 /nfs/dbraw/zinc/21/86/10/388218610.db2.gz HTGNMWAEBOLJAD-AWEZNQCLSA-N 0 3 247.407 3.949 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccccc1SC ZINC000489485973 388218131 /nfs/dbraw/zinc/21/81/31/388218131.db2.gz HTGNMWAEBOLJAD-CQSZACIVSA-N 0 3 247.407 3.949 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccc(OCC)cc1 ZINC000489501647 388220149 /nfs/dbraw/zinc/22/01/49/388220149.db2.gz VBFAZAGROCDANU-HNNXBMFYSA-N 0 3 245.366 3.626 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccc(OCC)cc1 ZINC000489501648 388219767 /nfs/dbraw/zinc/21/97/67/388219767.db2.gz VBFAZAGROCDANU-OAHLLOKOSA-N 0 3 245.366 3.626 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccc(SC)cc1 ZINC000489506464 388219603 /nfs/dbraw/zinc/21/96/03/388219603.db2.gz HDVWWKHNYKSWRR-AWEZNQCLSA-N 0 3 247.407 3.949 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccc(SC)cc1 ZINC000489506465 388219871 /nfs/dbraw/zinc/21/98/71/388219871.db2.gz HDVWWKHNYKSWRR-CQSZACIVSA-N 0 3 247.407 3.949 20 30 BHEDHN CCCN(Cc1ccc(F)cc1C#N)CC(C)C ZINC000489576435 388837982 /nfs/dbraw/zinc/83/79/82/388837982.db2.gz HCFPGBJCEZOWKD-UHFFFAOYSA-N 0 3 248.345 3.565 20 30 BHEDHN CCC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000490380879 388345123 /nfs/dbraw/zinc/34/51/23/388345123.db2.gz VSYHZLXPAKAOIO-CYBMUJFWSA-N 0 3 242.366 3.741 20 30 BHEDHN CCC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000490380899 388345098 /nfs/dbraw/zinc/34/50/98/388345098.db2.gz VSYHZLXPAKAOIO-ZDUSSCGKSA-N 0 3 242.366 3.741 20 30 BHEDHN C=CC1CCN(Cc2cc(F)ccc2C)CC1 ZINC000491152206 388273135 /nfs/dbraw/zinc/27/31/35/388273135.db2.gz ZGXFWBNJRLDZCY-UHFFFAOYSA-N 0 3 233.330 3.532 20 30 BHEDHN C=C(C)CN(CC)Cc1cc(F)ccc1C ZINC000491873321 388325592 /nfs/dbraw/zinc/32/55/92/388325592.db2.gz FDCMOZBIEHRTGA-UHFFFAOYSA-N 0 3 221.319 3.532 20 30 BHEDHN CC(C)N(CC#Cc1ccccc1Cl)C(C)C ZINC000492877935 528856731 /nfs/dbraw/zinc/85/67/31/528856731.db2.gz OFGGBGDLQTYQJU-UHFFFAOYSA-N 0 3 249.785 3.810 20 30 BHEDHN CC(C)N(CC#Cc1cccc(Cl)c1)C(C)C ZINC000492878705 528857552 /nfs/dbraw/zinc/85/75/52/528857552.db2.gz ZXNPZAFXQKHZND-UHFFFAOYSA-N 0 3 249.785 3.810 20 30 BHEDHN C=C(CC)CN(C)C/C(C)=C\c1ccccc1 ZINC000494293687 526849096 /nfs/dbraw/zinc/84/90/96/526849096.db2.gz RNSSALWYQZRIOW-PTNGSMBKSA-N 0 3 229.367 3.988 20 30 BHEDHN C=C(CC)CN(C)C/C(C)=C/c1ccccc1 ZINC000494293688 526849367 /nfs/dbraw/zinc/84/93/67/526849367.db2.gz RNSSALWYQZRIOW-RVDMUPIBSA-N 0 3 229.367 3.988 20 30 BHEDHN C=CCN(C)CCSc1ccc(Cl)cc1 ZINC000494627379 527575139 /nfs/dbraw/zinc/57/51/39/527575139.db2.gz YUWOBEPJWXQVFB-UHFFFAOYSA-N 0 3 241.787 3.550 20 30 BHEDHN C=CCN(C)CCc1ccc2ccccc2c1 ZINC000494628020 527574323 /nfs/dbraw/zinc/57/43/23/527574323.db2.gz AESWLVMZZAAMIO-UHFFFAOYSA-N 0 3 225.335 3.500 20 30 BHEDHN C=CCN(C)Cc1ccc(SC(C)C)cc1 ZINC000494638313 527574788 /nfs/dbraw/zinc/57/47/88/527574788.db2.gz QGCNVPQWBDCRRE-UHFFFAOYSA-N 0 3 235.396 3.805 20 30 BHEDHN C=CCN(C)CCSc1ccc(C)c(C)c1 ZINC000494692125 527575759 /nfs/dbraw/zinc/57/57/59/527575759.db2.gz WONSGDJGNXZSQY-UHFFFAOYSA-N 0 3 235.396 3.513 20 30 BHEDHN C=CCN(C)Cc1c(C)ccc2ccccc21 ZINC000494700646 527575509 /nfs/dbraw/zinc/57/55/09/527575509.db2.gz WWNFKADBBPKBLS-UHFFFAOYSA-N 0 3 225.335 3.766 20 30 BHEDHN C=CCCCN(C)Cc1cc(Cl)cs1 ZINC000494928234 527191951 /nfs/dbraw/zinc/19/19/51/527191951.db2.gz DBRFGYVONIHTNC-UHFFFAOYSA-N 0 3 229.776 3.800 20 30 BHEDHN C=CC1CCN(Cc2cc(Cl)cs2)CC1 ZINC000494981236 526979782 /nfs/dbraw/zinc/97/97/82/526979782.db2.gz SHNFCBNKQREHIE-UHFFFAOYSA-N 0 3 241.787 3.800 20 30 BHEDHN C=C(C)CN(CC)Cc1cc(Cl)cs1 ZINC000495077076 526546951 /nfs/dbraw/zinc/54/69/51/526546951.db2.gz CVRPJFDTAWSJBR-UHFFFAOYSA-N 0 3 229.776 3.800 20 30 BHEDHN C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)[C@H]1C ZINC000495080069 533964286 /nfs/dbraw/zinc/96/42/86/533964286.db2.gz BNEKRQUEWLZVDN-CLWVCHIJSA-N 0 3 242.366 3.666 20 30 BHEDHN C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)[C@@H]1C ZINC000495080073 533958753 /nfs/dbraw/zinc/95/87/53/533958753.db2.gz BNEKRQUEWLZVDN-VDERGJSUSA-N 0 3 242.366 3.666 20 30 BHEDHN C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)[C@H]1C ZINC000495080074 226276253 /nfs/dbraw/zinc/27/62/53/226276253.db2.gz BNEKRQUEWLZVDN-VRKREXBASA-N 0 3 242.366 3.666 20 30 BHEDHN C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)[C@@H]1C ZINC000495080077 533964552 /nfs/dbraw/zinc/96/45/52/533964552.db2.gz BNEKRQUEWLZVDN-XOUADPBQSA-N 0 3 242.366 3.666 20 30 BHEDHN C=C(C)CN(C)C/C=C\c1ccc(Cl)cc1 ZINC000497129785 384305446 /nfs/dbraw/zinc/30/54/46/384305446.db2.gz NLIMYXLILOINNQ-PLNGDYQASA-N 0 3 235.758 3.861 20 30 BHEDHN C=C(C)CN(C)C/C=C/c1ccc(Cl)cc1 ZINC000497129794 384303340 /nfs/dbraw/zinc/30/33/40/384303340.db2.gz NLIMYXLILOINNQ-SNAWJCMRSA-N 0 3 235.758 3.861 20 30 BHEDHN C=C(C)CN(C)C/C(C)=C\c1ccccc1 ZINC000497139957 384733013 /nfs/dbraw/zinc/73/30/13/384733013.db2.gz BGIOIPHSCWFKDX-UVTDQMKNSA-N 0 3 215.340 3.598 20 30 BHEDHN 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245.366 3.654 20 30 BHEDHN C=CCN1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000510192646 526519956 /nfs/dbraw/zinc/51/99/56/526519956.db2.gz NOWWAQWFEAVLKR-UKRRQHHQSA-N 0 3 245.366 3.654 20 30 BHEDHN C=CCN1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000510192647 526519126 /nfs/dbraw/zinc/51/91/26/526519126.db2.gz NOWWAQWFEAVLKR-ZFWWWQNUSA-N 0 3 245.366 3.654 20 30 BHEDHN C=C(C)CN(C)Cc1ccc2ccccc2c1 ZINC000510507870 526503131 /nfs/dbraw/zinc/50/31/31/526503131.db2.gz MCUPNNINGMAEQZ-UHFFFAOYSA-N 0 3 225.335 3.848 20 30 BHEDHN C=C1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000510566492 526908345 /nfs/dbraw/zinc/90/83/45/526908345.db2.gz STLKUOQVWYACTM-INIZCTEOSA-N 0 3 245.341 3.855 20 30 BHEDHN C=C1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000510566493 526908053 /nfs/dbraw/zinc/90/80/53/526908053.db2.gz STLKUOQVWYACTM-MRXNPFEDSA-N 0 3 245.341 3.855 20 30 BHEDHN C=C(C)CCN1CCc2cc(Cl)ccc2C1 ZINC000510744707 526447428 /nfs/dbraw/zinc/44/74/28/526447428.db2.gz IGGZPHFELOCLFJ-UHFFFAOYSA-N 0 3 235.758 3.664 20 30 BHEDHN C=C(C)CCN(C)Cc1ccc(F)c(Cl)c1 ZINC000510748812 526438587 /nfs/dbraw/zinc/43/85/87/526438587.db2.gz KBHCGJAVLJUAEG-UHFFFAOYSA-N 0 3 241.737 3.877 20 30 BHEDHN C=C(C)CN(CC[C@H](C)F)Cc1ccccc1 ZINC000510795078 526553570 /nfs/dbraw/zinc/55/35/70/526553570.db2.gz IKEORONKTMLXHH-AWEZNQCLSA-N 0 3 235.346 3.813 20 30 BHEDHN C=C(C)CN(CC[C@@H](C)F)Cc1ccccc1 ZINC000510795080 526552988 /nfs/dbraw/zinc/55/29/88/526552988.db2.gz IKEORONKTMLXHH-CQSZACIVSA-N 0 3 235.346 3.813 20 30 BHEDHN C=C(C)CCN(C)Cc1cc(Cl)ccc1F ZINC000510809653 526439455 /nfs/dbraw/zinc/43/94/55/526439455.db2.gz JABMCMLMKGWIMW-UHFFFAOYSA-N 0 3 241.737 3.877 20 30 BHEDHN C=C(C)CCN(C)Cc1cc(C)ccc1F ZINC000510809680 526438106 /nfs/dbraw/zinc/43/81/06/526438106.db2.gz JHQIGMDGWGXIQK-UHFFFAOYSA-N 0 3 221.319 3.532 20 30 BHEDHN C=C(C)CCN(C)Cc1ccccc1SC ZINC000510814629 526439273 /nfs/dbraw/zinc/43/92/73/526439273.db2.gz XUTZXRSADLRTJT-UHFFFAOYSA-N 0 3 235.396 3.807 20 30 BHEDHN CCCC[C@@H](CC)CN1CCC(F)(C#N)CC1 ZINC000510918742 528775863 /nfs/dbraw/zinc/77/58/63/528775863.db2.gz GMFDKZKVHGASMW-CYBMUJFWSA-N 0 3 240.366 3.530 20 30 BHEDHN CCCC[C@H](CC)CN1CCC(F)(C#N)CC1 ZINC000510918749 528907609 /nfs/dbraw/zinc/90/76/09/528907609.db2.gz GMFDKZKVHGASMW-ZDUSSCGKSA-N 0 3 240.366 3.530 20 30 BHEDHN C=CCCCN(C)Cc1ccccc1SC ZINC000511098783 527192102 /nfs/dbraw/zinc/19/21/02/527192102.db2.gz AZTXEPZXZGYSEA-UHFFFAOYSA-N 0 3 235.396 3.807 20 30 BHEDHN C=C(C)CN(CC)Cc1ccccc1SC ZINC000511131473 526547829 /nfs/dbraw/zinc/54/78/29/526547829.db2.gz RBMAXQAPSPQUHR-UHFFFAOYSA-N 0 3 235.396 3.807 20 30 BHEDHN C=C(C)CN(C)Cc1cc(C)cc(Cl)c1 ZINC000512213023 526502387 /nfs/dbraw/zinc/50/23/87/526502387.db2.gz NHIQFGODGQQBIH-UHFFFAOYSA-N 0 3 223.747 3.656 20 30 BHEDHN C=C(C)CNCc1ccc(-c2ccccc2F)o1 ZINC000512341011 526624595 /nfs/dbraw/zinc/62/45/95/526624595.db2.gz BNYMGYYQZKPQOR-UHFFFAOYSA-N 0 3 245.297 3.751 20 30 BHEDHN C=C(C)CNCc1ccccc1OCCCC ZINC000512343489 526624066 /nfs/dbraw/zinc/62/40/66/526624066.db2.gz PFNQUKYVYUXSGO-UHFFFAOYSA-N 0 3 233.355 3.531 20 30 BHEDHN C=C(C)CNCc1ccc(C(F)(F)F)cc1C ZINC000512359334 526624725 /nfs/dbraw/zinc/62/47/25/526624725.db2.gz FJGKZOBHVPDMFQ-UHFFFAOYSA-N 0 3 243.272 3.680 20 30 BHEDHN C=C(C)CNCc1ccccc1OC1CCCC1 ZINC000512370402 526624285 /nfs/dbraw/zinc/62/42/85/526624285.db2.gz QIRXHBRVZPAMNW-UHFFFAOYSA-N 0 3 245.366 3.674 20 30 BHEDHN C=C(C)CNCc1cc2cc(C)c(C)cc2o1 ZINC000512375115 526624105 /nfs/dbraw/zinc/62/41/05/526624105.db2.gz MDNDUBCMNAJCAX-UHFFFAOYSA-N 0 3 229.323 3.715 20 30 BHEDHN C=C(C)CNCc1cccc(OC2CCCC2)c1 ZINC000512383928 526624796 /nfs/dbraw/zinc/62/47/96/526624796.db2.gz HVPLXCPVALDJQQ-UHFFFAOYSA-N 0 3 245.366 3.674 20 30 BHEDHN C=C(C)CNCc1ccc(-c2ccc(C)cc2)o1 ZINC000512394631 526625179 /nfs/dbraw/zinc/62/51/79/526625179.db2.gz ICKRAOWTQRTKMJ-UHFFFAOYSA-N 0 3 241.334 3.921 20 30 BHEDHN CCC(CC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512610994 528804672 /nfs/dbraw/zinc/80/46/72/528804672.db2.gz GVRBEMOVDYBXBH-JTQLQIEISA-N 0 3 234.318 3.537 20 30 BHEDHN CCC(CC)N[C@H](C)c1ccc(C#N)cc1F ZINC000512610995 528805102 /nfs/dbraw/zinc/80/51/02/528805102.db2.gz GVRBEMOVDYBXBH-SNVBAGLBSA-N 0 3 234.318 3.537 20 30 BHEDHN CCCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000512627062 528217060 /nfs/dbraw/zinc/21/70/60/528217060.db2.gz ZLRMYMOGBDFLBJ-LLVKDONJSA-N 0 3 234.318 3.538 20 30 BHEDHN CCCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512627063 528214741 /nfs/dbraw/zinc/21/47/41/528214741.db2.gz ZLRMYMOGBDFLBJ-NSHDSACASA-N 0 3 234.318 3.538 20 30 BHEDHN CC(C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512630220 528267309 /nfs/dbraw/zinc/26/73/09/528267309.db2.gz LRJZDYRRAUTLSQ-NEPJUHHUSA-N 0 3 248.345 3.783 20 30 BHEDHN CC(C)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000512630221 528475043 /nfs/dbraw/zinc/47/50/43/528475043.db2.gz LRJZDYRRAUTLSQ-NWDGAFQWSA-N 0 3 248.345 3.783 20 30 BHEDHN CC(C)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512630222 528475654 /nfs/dbraw/zinc/47/56/54/528475654.db2.gz LRJZDYRRAUTLSQ-RYUDHWBXSA-N 0 3 248.345 3.783 20 30 BHEDHN CC(C)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000512630223 528268746 /nfs/dbraw/zinc/26/87/46/528268746.db2.gz LRJZDYRRAUTLSQ-VXGBXAGGSA-N 0 3 248.345 3.783 20 30 BHEDHN C[C@@H](NC1CCCCC1)c1ccc(C#N)cc1F ZINC000512631554 229355880 /nfs/dbraw/zinc/35/58/80/229355880.db2.gz ROXZPBQBHZVQCO-LLVKDONJSA-N 0 3 246.329 3.681 20 30 BHEDHN C[C@H](NC1CCCCC1)c1ccc(C#N)cc1F ZINC000512631555 533807440 /nfs/dbraw/zinc/80/74/40/533807440.db2.gz ROXZPBQBHZVQCO-NSHDSACASA-N 0 3 246.329 3.681 20 30 BHEDHN C=CCN(C)Cc1ccc(C2CCC2)cc1 ZINC000512705605 527575028 /nfs/dbraw/zinc/57/50/28/527575028.db2.gz MSOIIKSREJNSAI-UHFFFAOYSA-N 0 3 215.340 3.572 20 30 BHEDHN CCC1(C)CCN(Cc2ccc(C#N)s2)CC1 ZINC000513093700 529023470 /nfs/dbraw/zinc/02/34/70/529023470.db2.gz CWEFLYLYWSJRBT-UHFFFAOYSA-N 0 3 248.395 3.632 20 30 BHEDHN C=CCN1CCC[C@H]1Cc1ccccc1Cl ZINC000513386695 388426206 /nfs/dbraw/zinc/42/62/06/388426206.db2.gz OUFMUTOXBFSYOJ-ZDUSSCGKSA-N 0 3 235.758 3.533 20 30 BHEDHN C=C1CCN(Cc2cccc3ccccc32)CC1 ZINC000513443797 388428544 /nfs/dbraw/zinc/42/85/44/388428544.db2.gz PYLOMYQDEYXXAO-UHFFFAOYSA-N 0 3 237.346 3.992 20 30 BHEDHN C=C1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000513444323 388428945 /nfs/dbraw/zinc/42/89/45/388428945.db2.gz TXEIFFFLNKGAKY-NTCAYCPXSA-N 0 3 227.351 3.742 20 30 BHEDHN C=C1CCN(C/C(C)=C\c2ccccc2)CC1 ZINC000513444325 388428550 /nfs/dbraw/zinc/42/85/50/388428550.db2.gz TXEIFFFLNKGAKY-QINSGFPZSA-N 0 3 227.351 3.742 20 30 BHEDHN C=C1CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000513449969 388429002 /nfs/dbraw/zinc/42/90/02/388429002.db2.gz DLRUGYJECULSGF-UHFFFAOYSA-N 0 3 245.366 3.626 20 30 BHEDHN C=C1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000513455904 526905109 /nfs/dbraw/zinc/90/51/09/526905109.db2.gz OAYAVDPGAORBJM-UHFFFAOYSA-N 0 3 237.346 3.992 20 30 BHEDHN CC(C)(C)CN(CCC#N)CC1CCCCC1 ZINC000513716505 388442410 /nfs/dbraw/zinc/44/24/10/388442410.db2.gz CMMZUPYMXZOHJI-UHFFFAOYSA-N 0 3 236.403 3.828 20 30 BHEDHN CCC(CC)CN(CCC#N)CCC(C)C ZINC000513751113 388446980 /nfs/dbraw/zinc/44/69/80/388446980.db2.gz WZPHIJVSWKBELK-UHFFFAOYSA-N 0 3 224.392 3.684 20 30 BHEDHN CC(C)(C)[C@@H]1CCCN1Cc1ccccc1C#N ZINC000513753379 388641879 /nfs/dbraw/zinc/64/18/79/388641879.db2.gz CHTCJYOJAWLZRM-HNNXBMFYSA-N 0 3 242.366 3.569 20 30 BHEDHN CC(C)(C)[C@H]1CCCN1Cc1ccccc1C#N ZINC000513753381 388641745 /nfs/dbraw/zinc/64/17/45/388641745.db2.gz CHTCJYOJAWLZRM-OAHLLOKOSA-N 0 3 242.366 3.569 20 30 BHEDHN C=CCN(CCSC(C)C)Cc1ccccc1 ZINC000513969906 388479707 /nfs/dbraw/zinc/47/97/07/388479707.db2.gz GEVYQRYWYMQIJX-UHFFFAOYSA-N 0 3 249.423 3.816 20 30 BHEDHN C=CCN(CC)Cc1ccc2ccccc2c1 ZINC000514005083 388485244 /nfs/dbraw/zinc/48/52/44/388485244.db2.gz ATGBBIFCFFWRGP-UHFFFAOYSA-N 0 3 225.335 3.848 20 30 BHEDHN CC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000514100078 388641893 /nfs/dbraw/zinc/64/18/93/388641893.db2.gz TUNLGYNJYOXKHO-CYBMUJFWSA-N 0 3 248.395 3.630 20 30 BHEDHN CC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000514100079 388641667 /nfs/dbraw/zinc/64/16/67/388641667.db2.gz TUNLGYNJYOXKHO-ZDUSSCGKSA-N 0 3 248.395 3.630 20 30 BHEDHN C=CCN(Cc1ccc2ccccc2c1)C1CC1 ZINC000514103267 356603947 /nfs/dbraw/zinc/60/39/47/356603947.db2.gz AYBZYHQMTKLHKJ-UHFFFAOYSA-N 0 3 237.346 3.990 20 30 BHEDHN C=C(C)CN(CC)Cc1cccc(OC(C)C)c1 ZINC000515540402 387393696 /nfs/dbraw/zinc/39/36/96/387393696.db2.gz RLURZWOJFIAYDC-UHFFFAOYSA-N 0 3 247.382 3.872 20 30 BHEDHN C[C@@H]1CCN(CC2(C#N)CCC2)[C@H]2CCCC[C@@H]12 ZINC000515771665 387422710 /nfs/dbraw/zinc/42/27/10/387422710.db2.gz HVXSZJKSNNZSIK-ILXRZTDVSA-N 0 3 246.398 3.581 20 30 BHEDHN C[C@@H]1CCN(CC2(C#N)CCC2)[C@H]2CCCC[C@H]12 ZINC000515771666 387422907 /nfs/dbraw/zinc/42/29/07/387422907.db2.gz HVXSZJKSNNZSIK-KFWWJZLASA-N 0 3 246.398 3.581 20 30 BHEDHN C[C@@H]1CCN(CC2(C#N)CCC2)[C@@H]2CCCC[C@@H]12 ZINC000515771667 387423463 /nfs/dbraw/zinc/42/34/63/387423463.db2.gz HVXSZJKSNNZSIK-QLFBSQMISA-N 0 3 246.398 3.581 20 30 BHEDHN C[C@@H]1CCN(CC2(C#N)CCC2)[C@@H]2CCCC[C@H]12 ZINC000515771671 256754882 /nfs/dbraw/zinc/75/48/82/256754882.db2.gz HVXSZJKSNNZSIK-RBSFLKMASA-N 0 3 246.398 3.581 20 30 BHEDHN C=C(C)CN(Cc1cccc(F)c1)C(C)C ZINC000516307527 387499421 /nfs/dbraw/zinc/49/94/21/387499421.db2.gz QINMTCOUHIXUJU-UHFFFAOYSA-N 0 3 221.319 3.612 20 30 BHEDHN C=CC[C@@H](C)[C@H](C)NCc1noc2ccccc21 ZINC000516490641 387510737 /nfs/dbraw/zinc/51/07/37/387510737.db2.gz LMJWKJRCPICGHJ-NEPJUHHUSA-N 0 3 244.338 3.518 20 30 BHEDHN C=CC[C@H](C)[C@@H](C)NCc1noc2ccccc21 ZINC000516490642 256776672 /nfs/dbraw/zinc/77/66/72/256776672.db2.gz LMJWKJRCPICGHJ-NWDGAFQWSA-N 0 3 244.338 3.518 20 30 BHEDHN C=CC[C@H](C)[C@H](C)NCc1noc2ccccc21 ZINC000516490643 387510443 /nfs/dbraw/zinc/51/04/43/387510443.db2.gz LMJWKJRCPICGHJ-RYUDHWBXSA-N 0 3 244.338 3.518 20 30 BHEDHN C=CC[C@@H](C)[C@@H](C)NCc1noc2ccccc21 ZINC000516490644 256776660 /nfs/dbraw/zinc/77/66/60/256776660.db2.gz LMJWKJRCPICGHJ-VXGBXAGGSA-N 0 3 244.338 3.518 20 30 BHEDHN C=CCC[C@H](CCC)N[C@H](C)c1cscn1 ZINC000516937631 384969319 /nfs/dbraw/zinc/96/93/19/384969319.db2.gz AAOGKODDDIXYRJ-NEPJUHHUSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1cscn1 ZINC000516937632 384971594 /nfs/dbraw/zinc/97/15/94/384971594.db2.gz AAOGKODDDIXYRJ-NWDGAFQWSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCC[C@H](CCC)N[C@@H](C)c1cscn1 ZINC000516937633 384971381 /nfs/dbraw/zinc/97/13/81/384971381.db2.gz AAOGKODDDIXYRJ-RYUDHWBXSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCC[C@@H](CCC)N[C@H](C)c1cscn1 ZINC000516937634 384970794 /nfs/dbraw/zinc/97/07/94/384970794.db2.gz AAOGKODDDIXYRJ-VXGBXAGGSA-N 0 3 238.400 3.929 20 30 BHEDHN C=C(C)CN1CCC[C@H]1Cc1ccccc1Cl ZINC000517834427 384524065 /nfs/dbraw/zinc/52/40/65/384524065.db2.gz IMDQERKOQSOZOE-AWEZNQCLSA-N 0 3 249.785 3.923 20 30 BHEDHN C=C(C)CN1CCC[C@@H]1Cc1ccccc1Cl ZINC000517834428 384522473 /nfs/dbraw/zinc/52/24/73/384522473.db2.gz IMDQERKOQSOZOE-CQSZACIVSA-N 0 3 249.785 3.923 20 30 BHEDHN CCCCCN(CCCCC)CC1(C#N)CC1 ZINC000518203779 256562611 /nfs/dbraw/zinc/56/26/11/256562611.db2.gz ZQADQIXNDCPXSD-UHFFFAOYSA-N 0 3 236.403 3.973 20 30 BHEDHN C=CCN(CCC(C)C)Cc1ccccc1F ZINC000519068692 386998341 /nfs/dbraw/zinc/99/83/41/386998341.db2.gz LUGJBRFDKNFYLL-UHFFFAOYSA-N 0 3 235.346 3.860 20 30 BHEDHN N#CC1CCN(CCC2CCCCCC2)CC1 ZINC000519795578 386557627 /nfs/dbraw/zinc/55/76/27/386557627.db2.gz XRUMMFKGBUOGRF-UHFFFAOYSA-N 0 3 234.387 3.582 20 30 BHEDHN C=CCN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000519903760 386580087 /nfs/dbraw/zinc/58/00/87/386580087.db2.gz YCIPGOPSXIJROR-JTQLQIEISA-N 0 3 243.272 3.884 20 30 BHEDHN C=CCN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000519903761 256663916 /nfs/dbraw/zinc/66/39/16/256663916.db2.gz YCIPGOPSXIJROR-SNVBAGLBSA-N 0 3 243.272 3.884 20 30 BHEDHN C=CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000519968693 259303506 /nfs/dbraw/zinc/30/35/06/259303506.db2.gz WUWKPWMAOFMQDG-GOSISDBHSA-N 0 3 249.357 3.820 20 30 BHEDHN C=CCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000519968694 259303574 /nfs/dbraw/zinc/30/35/74/259303574.db2.gz WUWKPWMAOFMQDG-SFHVURJKSA-N 0 3 249.357 3.820 20 30 BHEDHN C=C(C)CN(CC)Cc1ccccc1OC(C)C ZINC000519997897 385187525 /nfs/dbraw/zinc/18/75/25/385187525.db2.gz MOSBSLIPJLVZGX-UHFFFAOYSA-N 0 3 247.382 3.872 20 30 BHEDHN C=CCN(CCC(C)C)Cc1cccc(C#N)c1 ZINC000520137737 323181304 /nfs/dbraw/zinc/18/13/04/323181304.db2.gz KNYWEWZQFJDMRN-UHFFFAOYSA-N 0 3 242.366 3.592 20 30 BHEDHN C=C(C)CN(Cc1ccccc1F)C(C)C ZINC000520173693 386588320 /nfs/dbraw/zinc/58/83/20/386588320.db2.gz WGJGZDVJUYCANR-UHFFFAOYSA-N 0 3 221.319 3.612 20 30 BHEDHN CCC(CC)N(CC)Cc1ccccc1C#N ZINC000520281431 386644088 /nfs/dbraw/zinc/64/40/88/386644088.db2.gz XGYUDWFTJFEVRM-UHFFFAOYSA-N 0 3 230.355 3.569 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1cc(C)c(O)c(C)c1 ZINC000520459888 386681050 /nfs/dbraw/zinc/68/10/50/386681050.db2.gz NGFFBENOIAKKNH-HNNXBMFYSA-N 0 3 245.366 3.550 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1cc(C)c(O)c(C)c1 ZINC000520459889 386680598 /nfs/dbraw/zinc/68/05/98/386680598.db2.gz NGFFBENOIAKKNH-OAHLLOKOSA-N 0 3 245.366 3.550 20 30 BHEDHN C=C(C)CN(Cc1ccccc1C)C1CC1 ZINC000521187351 363121978 /nfs/dbraw/zinc/12/19/78/363121978.db2.gz KVCJMJYBHXLREU-UHFFFAOYSA-N 0 3 215.340 3.536 20 30 BHEDHN C=C(C)CN(Cc1ccccc1F)CC(C)C ZINC000521189446 384928657 /nfs/dbraw/zinc/92/86/57/384928657.db2.gz BYCRRABWMAVAPT-UHFFFAOYSA-N 0 3 235.346 3.860 20 30 BHEDHN C=CCN(CCC)[C@H](C)c1ccccc1OC ZINC000521193552 324178879 /nfs/dbraw/zinc/17/88/79/324178879.db2.gz IKILGSPHRMECPN-CYBMUJFWSA-N 0 3 233.355 3.654 20 30 BHEDHN C=CCN(CCC)[C@@H](C)c1ccccc1OC ZINC000521193553 324178488 /nfs/dbraw/zinc/17/84/88/324178488.db2.gz IKILGSPHRMECPN-ZDUSSCGKSA-N 0 3 233.355 3.654 20 30 BHEDHN C[C@@H](C#N)CN(C[C@H](C)C1CCCCC1)C1CC1 ZINC000521837071 259553410 /nfs/dbraw/zinc/55/34/10/259553410.db2.gz YWCVFFOMYQJKAA-KBPBESRZSA-N 0 3 248.414 3.827 20 30 BHEDHN C[C@@H](CN(C[C@H](C)C#N)C1CC1)C1CCCCC1 ZINC000521837072 388633681 /nfs/dbraw/zinc/63/36/81/388633681.db2.gz YWCVFFOMYQJKAA-KGLIPLIRSA-N 0 3 248.414 3.827 20 30 BHEDHN C[C@@H](C#N)CN(C[C@@H](C)C1CCCCC1)C1CC1 ZINC000521837073 388633797 /nfs/dbraw/zinc/63/37/97/388633797.db2.gz YWCVFFOMYQJKAA-UONOGXRCSA-N 0 3 248.414 3.827 20 30 BHEDHN C[C@H](C#N)CN(C[C@@H](C)C1CCCCC1)C1CC1 ZINC000521837074 388633145 /nfs/dbraw/zinc/63/31/45/388633145.db2.gz YWCVFFOMYQJKAA-ZIAGYGMSSA-N 0 3 248.414 3.827 20 30 BHEDHN C=CC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000522083375 324200133 /nfs/dbraw/zinc/20/01/33/324200133.db2.gz RFDJJNGLCUJNMN-GFCCVEGCSA-N 0 3 233.330 3.785 20 30 BHEDHN C=CC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000522083376 324200022 /nfs/dbraw/zinc/20/00/22/324200022.db2.gz RFDJJNGLCUJNMN-LBPRGKRZSA-N 0 3 233.330 3.785 20 30 BHEDHN C=C(C)CN(CC)CCSc1ccccc1 ZINC000522775446 350004365 /nfs/dbraw/zinc/00/43/65/350004365.db2.gz VZZZTJQARVSDRU-UHFFFAOYSA-N 0 3 235.396 3.677 20 30 BHEDHN C=CCCCN1CCc2cccc(F)c2[C@H]1C ZINC000523451113 388839900 /nfs/dbraw/zinc/83/99/00/388839900.db2.gz RRSITGXDZIZIGR-GFCCVEGCSA-N 0 3 233.330 3.711 20 30 BHEDHN C=CCCCN1CCc2cccc(F)c2[C@@H]1C ZINC000523451114 388839773 /nfs/dbraw/zinc/83/97/73/388839773.db2.gz RRSITGXDZIZIGR-LBPRGKRZSA-N 0 3 233.330 3.711 20 30 BHEDHN C=CC1CCN(CCc2ccccc2Cl)CC1 ZINC000523606612 324209241 /nfs/dbraw/zinc/20/92/41/324209241.db2.gz HWUSWBBFULVDFA-UHFFFAOYSA-N 0 3 249.785 3.781 20 30 BHEDHN C=CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000523607479 324209192 /nfs/dbraw/zinc/20/91/92/324209192.db2.gz CYHNSQBIGKRURP-UHFFFAOYSA-N 0 3 235.758 3.738 20 30 BHEDHN C=C1CCN([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000524597877 259672861 /nfs/dbraw/zinc/67/28/61/259672861.db2.gz VGJBVOZSKFDMER-HNNXBMFYSA-N 0 3 233.330 3.929 20 30 BHEDHN C=C1CCN([C@H](CC)c2ccc(F)cc2)CC1 ZINC000524597878 388367782 /nfs/dbraw/zinc/36/77/82/388367782.db2.gz VGJBVOZSKFDMER-OAHLLOKOSA-N 0 3 233.330 3.929 20 30 BHEDHN C=CCCN(C)[C@H](C)c1ccccc1Cl ZINC000524811407 388410059 /nfs/dbraw/zinc/41/00/59/388410059.db2.gz HYABETXZBPPBFY-LLVKDONJSA-N 0 3 223.747 3.909 20 30 BHEDHN C=CCCN(C)[C@@H](C)c1ccccc1Cl ZINC000524811410 388410334 /nfs/dbraw/zinc/41/03/34/388410334.db2.gz HYABETXZBPPBFY-NSHDSACASA-N 0 3 223.747 3.909 20 30 BHEDHN CC#CCN(CC)Cc1ccc2ccccc2c1 ZINC000525119413 388417109 /nfs/dbraw/zinc/41/71/09/388417109.db2.gz DCRAEBXWBOGICF-UHFFFAOYSA-N 0 3 237.346 3.685 20 30 BHEDHN CC#CCN(Cc1ccc2ccccc2c1)C1CC1 ZINC000525119601 388416504 /nfs/dbraw/zinc/41/65/04/388416504.db2.gz SNWFTFRVLGEXKX-UHFFFAOYSA-N 0 3 249.357 3.828 20 30 BHEDHN CC#CCN(C)[C@H](c1ccccc1C)C(C)C ZINC000525121898 388416861 /nfs/dbraw/zinc/41/68/61/388416861.db2.gz JTADPAQMUDCDJV-INIZCTEOSA-N 0 3 229.367 3.647 20 30 BHEDHN CC#CCN(C)[C@@H](c1ccccc1C)C(C)C ZINC000525121899 388417068 /nfs/dbraw/zinc/41/70/68/388417068.db2.gz JTADPAQMUDCDJV-MRXNPFEDSA-N 0 3 229.367 3.647 20 30 BHEDHN C=CCCCN(C)c1cc(C)nc2ccccc21 ZINC000525192912 388419927 /nfs/dbraw/zinc/41/99/27/388419927.db2.gz VMZQNTFWHCBLSG-UHFFFAOYSA-N 0 3 240.350 3.946 20 30 BHEDHN C=CCCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000525328703 388427066 /nfs/dbraw/zinc/42/70/66/388427066.db2.gz MCIPXIOHJSEVKW-HNNXBMFYSA-N 0 3 247.407 3.661 20 30 BHEDHN C=CCCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000525328704 388426291 /nfs/dbraw/zinc/42/62/91/388426291.db2.gz MCIPXIOHJSEVKW-OAHLLOKOSA-N 0 3 247.407 3.661 20 30 BHEDHN C=CCCN(CC)Cc1ccccc1Cl ZINC000525328943 388426434 /nfs/dbraw/zinc/42/64/34/388426434.db2.gz QXBJPZGJMMOWND-UHFFFAOYSA-N 0 3 223.747 3.738 20 30 BHEDHN C=C1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000525423447 383824430 /nfs/dbraw/zinc/82/44/30/383824430.db2.gz YDYCZSKYAWLLNR-UHFFFAOYSA-N 0 3 249.785 3.925 20 30 BHEDHN CC#CCN(CC)[C@H](C)c1cc2ccccc2o1 ZINC000525633059 384450514 /nfs/dbraw/zinc/45/05/14/384450514.db2.gz FSFZTCZQFBKTHT-CYBMUJFWSA-N 0 3 241.334 3.839 20 30 BHEDHN CC#CCN(CC)[C@@H](C)c1cc2ccccc2o1 ZINC000525633060 384451341 /nfs/dbraw/zinc/45/13/41/384451341.db2.gz FSFZTCZQFBKTHT-ZDUSSCGKSA-N 0 3 241.334 3.839 20 30 BHEDHN CC#CCN(C)Cc1ccccc1-c1ccccc1 ZINC000525633228 384461260 /nfs/dbraw/zinc/46/12/60/384461260.db2.gz VKFQMODGOFNPJV-UHFFFAOYSA-N 0 3 249.357 3.809 20 30 BHEDHN CC#CCN1CCCC[C@H]1c1ccc(C)cc1 ZINC000525641203 323004476 /nfs/dbraw/zinc/00/44/76/323004476.db2.gz ZXAXYIPMTMOBON-INIZCTEOSA-N 0 3 227.351 3.545 20 30 BHEDHN CC#CCN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000525641204 323004494 /nfs/dbraw/zinc/00/44/94/323004494.db2.gz ZXAXYIPMTMOBON-MRXNPFEDSA-N 0 3 227.351 3.545 20 30 BHEDHN C[C@H](C#N)CNC1CCC2(CCCCC2)CC1 ZINC000525973575 388435465 /nfs/dbraw/zinc/43/54/65/388435465.db2.gz FZTYMPAJDWJNEO-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@@H](C#N)CNC1CCC2(CCCCC2)CC1 ZINC000525973576 388435541 /nfs/dbraw/zinc/43/55/41/388435541.db2.gz FZTYMPAJDWJNEO-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN C=CCN(CC1CCCCC1)CC1(F)CC1 ZINC000527219914 387535947 /nfs/dbraw/zinc/53/59/47/387535947.db2.gz NDUUDPIJURBVBD-UHFFFAOYSA-N 0 3 225.351 3.557 20 30 BHEDHN CC(C)C[C@H](CNC[C@H](C)C#N)c1ccccc1 ZINC000527235504 262834744 /nfs/dbraw/zinc/83/47/44/262834744.db2.gz WXWQVBLJLSXWSF-GDBMZVCRSA-N 0 3 244.382 3.566 20 30 BHEDHN CC(C)C[C@H](CNC[C@@H](C)C#N)c1ccccc1 ZINC000527235505 262834924 /nfs/dbraw/zinc/83/49/24/262834924.db2.gz WXWQVBLJLSXWSF-GOEBONIOSA-N 0 3 244.382 3.566 20 30 BHEDHN CC(C)C[C@@H](CNC[C@@H](C)C#N)c1ccccc1 ZINC000527235506 387543511 /nfs/dbraw/zinc/54/35/11/387543511.db2.gz WXWQVBLJLSXWSF-HOCLYGCPSA-N 0 3 244.382 3.566 20 30 BHEDHN CC(C)C[C@@H](CNC[C@H](C)C#N)c1ccccc1 ZINC000527235507 262834616 /nfs/dbraw/zinc/83/46/16/262834616.db2.gz WXWQVBLJLSXWSF-ZBFHGGJFSA-N 0 3 244.382 3.566 20 30 BHEDHN CC1=CCC[C@@H](C)[C@H]1CN(CCC#N)C(C)C ZINC000527493060 359658835 /nfs/dbraw/zinc/65/88/35/359658835.db2.gz JRXJPRQEROPWMY-CABCVRRESA-N 0 3 234.387 3.603 20 30 BHEDHN CC1=CCC[C@H](C)[C@H]1CN(CCC#N)C(C)C ZINC000527493061 359658808 /nfs/dbraw/zinc/65/88/08/359658808.db2.gz JRXJPRQEROPWMY-GJZGRUSLSA-N 0 3 234.387 3.603 20 30 BHEDHN CC1=CCC[C@@H](C)[C@@H]1CN(CCC#N)C(C)C ZINC000527493062 359659007 /nfs/dbraw/zinc/65/90/07/359659007.db2.gz JRXJPRQEROPWMY-HUUCEWRRSA-N 0 3 234.387 3.603 20 30 BHEDHN CC1=CCC[C@H](C)[C@@H]1CN(CCC#N)C(C)C ZINC000527493063 359658900 /nfs/dbraw/zinc/65/89/00/359658900.db2.gz JRXJPRQEROPWMY-LSDHHAIUSA-N 0 3 234.387 3.603 20 30 BHEDHN C=CC[C@@H](C)NCc1ccsc1C(F)(F)F ZINC000527659643 387664260 /nfs/dbraw/zinc/66/42/60/387664260.db2.gz CHBNPSNKXMLJIU-MRVPVSSYSA-N 0 3 249.301 3.821 20 30 BHEDHN C=CC[C@H](C)NCc1ccsc1C(F)(F)F ZINC000527659644 387664249 /nfs/dbraw/zinc/66/42/49/387664249.db2.gz CHBNPSNKXMLJIU-QMMMGPOBSA-N 0 3 249.301 3.821 20 30 BHEDHN C=C(C)CCNCc1ccsc1C(F)(F)F ZINC000527711244 387669408 /nfs/dbraw/zinc/66/94/08/387669408.db2.gz CHLZDYQCLVINLE-UHFFFAOYSA-N 0 3 249.301 3.823 20 30 BHEDHN C=C(CC)CNCc1ccsc1C(F)(F)F ZINC000527718516 387675233 /nfs/dbraw/zinc/67/52/33/387675233.db2.gz UCAYKFVTHLMTKH-UHFFFAOYSA-N 0 3 249.301 3.823 20 30 BHEDHN C=CC(C)(C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000527925073 387791011 /nfs/dbraw/zinc/79/10/11/387791011.db2.gz KIPIQCDHRBIDJP-CYBMUJFWSA-N 0 3 245.366 3.571 20 30 BHEDHN C=CC(C)(C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000527925076 323731810 /nfs/dbraw/zinc/73/18/10/323731810.db2.gz KIPIQCDHRBIDJP-ZDUSSCGKSA-N 0 3 245.366 3.571 20 30 BHEDHN C=CCCNC(C)(C)c1nc2ccccc2s1 ZINC000528606066 384539731 /nfs/dbraw/zinc/53/97/31/384539731.db2.gz ZDIIGJSIWMERAN-UHFFFAOYSA-N 0 3 246.379 3.697 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccc2cc[nH]c2c1 ZINC000529553652 324339838 /nfs/dbraw/zinc/33/98/38/324339838.db2.gz IYNLFRSHQUDGAK-HNNXBMFYSA-N 0 3 240.350 3.708 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccc2cc[nH]c2c1 ZINC000529553653 324340152 /nfs/dbraw/zinc/34/01/52/324340152.db2.gz IYNLFRSHQUDGAK-OAHLLOKOSA-N 0 3 240.350 3.708 20 30 BHEDHN C=CCCN(C)Cc1ccsc1C(F)(F)F ZINC000529555260 324341090 /nfs/dbraw/zinc/34/10/90/324341090.db2.gz JRFRBKRYCAQSKE-UHFFFAOYSA-N 0 3 249.301 3.775 20 30 BHEDHN C=CCN(Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000530336969 388650021 /nfs/dbraw/zinc/65/00/21/388650021.db2.gz VZVCXMGHEFADDT-UHFFFAOYSA-N 0 3 239.721 3.630 20 30 BHEDHN CC[C@@H](C)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000530699399 385018864 /nfs/dbraw/zinc/01/88/64/385018864.db2.gz UMRDZLYUKBHMRF-CYBMUJFWSA-N 0 3 249.785 3.669 20 30 BHEDHN CC[C@H](C)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000530699425 385017567 /nfs/dbraw/zinc/01/75/67/385017567.db2.gz UMRDZLYUKBHMRF-ZDUSSCGKSA-N 0 3 249.785 3.669 20 30 BHEDHN CCC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000531815961 323114353 /nfs/dbraw/zinc/11/43/53/323114353.db2.gz XYKSCVIUYGCMJG-AWEZNQCLSA-N 0 3 242.366 3.570 20 30 BHEDHN CCC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000531815962 323114401 /nfs/dbraw/zinc/11/44/01/323114401.db2.gz XYKSCVIUYGCMJG-CQSZACIVSA-N 0 3 242.366 3.570 20 30 BHEDHN C=CCCN1CCC(=Cc2ccccc2F)CC1 ZINC000532059206 323170788 /nfs/dbraw/zinc/17/07/88/323170788.db2.gz OFXZQJDUKVJQFS-UHFFFAOYSA-N 0 3 245.341 3.881 20 30 BHEDHN CCC[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000532326660 323250071 /nfs/dbraw/zinc/25/00/71/323250071.db2.gz CWSCLBORCDOKGS-AWEZNQCLSA-N 0 3 242.366 3.570 20 30 BHEDHN CCC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000532326661 323250032 /nfs/dbraw/zinc/25/00/32/323250032.db2.gz CWSCLBORCDOKGS-CQSZACIVSA-N 0 3 242.366 3.570 20 30 BHEDHN CCN(CC#Cc1cccc(Cl)c1)CC(C)C ZINC000532606039 323279441 /nfs/dbraw/zinc/27/94/41/323279441.db2.gz ZPFOCUKIJVNJPI-UHFFFAOYSA-N 0 3 249.785 3.669 20 30 BHEDHN CC[C@@H](C)CN(C)CC#Cc1cccc(Cl)c1 ZINC000532615718 323280053 /nfs/dbraw/zinc/28/00/53/323280053.db2.gz DSLRQLOAZNKHIW-CYBMUJFWSA-N 0 3 249.785 3.669 20 30 BHEDHN CC[C@H](C)CN(C)CC#Cc1cccc(Cl)c1 ZINC000532615719 323280208 /nfs/dbraw/zinc/28/02/08/323280208.db2.gz DSLRQLOAZNKHIW-ZDUSSCGKSA-N 0 3 249.785 3.669 20 30 BHEDHN C=CC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000532622739 323279430 /nfs/dbraw/zinc/27/94/30/323279430.db2.gz CROMGMPEZHBISJ-UHFFFAOYSA-N 0 3 241.334 3.831 20 30 BHEDHN C=CCCCN(C)[C@H](C)c1ccc(F)cc1F ZINC000532977976 387914751 /nfs/dbraw/zinc/91/47/51/387914751.db2.gz AJLLTBRLDPHATR-LLVKDONJSA-N 0 3 239.309 3.924 20 30 BHEDHN C=CCCCN(C)[C@@H](C)c1ccc(F)cc1F ZINC000532977988 387915973 /nfs/dbraw/zinc/91/59/73/387915973.db2.gz AJLLTBRLDPHATR-NSHDSACASA-N 0 3 239.309 3.924 20 30 BHEDHN CCC[C@@H](C)N(C)CC#Cc1cccc(Cl)c1 ZINC000533001726 387920789 /nfs/dbraw/zinc/92/07/89/387920789.db2.gz LOAJDMFJBLWPSE-CYBMUJFWSA-N 0 3 249.785 3.812 20 30 BHEDHN CCC[C@H](C)N(C)CC#Cc1cccc(Cl)c1 ZINC000533001743 387919996 /nfs/dbraw/zinc/91/99/96/387919996.db2.gz LOAJDMFJBLWPSE-ZDUSSCGKSA-N 0 3 249.785 3.812 20 30 BHEDHN CC#CCN(C)C1c2ccccc2-c2ccccc21 ZINC000533070548 359702921 /nfs/dbraw/zinc/70/29/21/359702921.db2.gz XSFLVEDCDRUIMP-UHFFFAOYSA-N 0 3 247.341 3.712 20 30 BHEDHN C=C(C)CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000533080820 398178510 /nfs/dbraw/zinc/17/85/10/398178510.db2.gz ISRXUZJXWLATJA-UHFFFAOYSA-N 0 3 245.341 3.881 20 30 BHEDHN C[C@@H](N(C)Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000533249657 388724874 /nfs/dbraw/zinc/72/48/74/388724874.db2.gz LBZGPIURAKHXFR-LLVKDONJSA-N 0 3 248.345 3.564 20 30 BHEDHN C[C@H](N(C)Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000533249658 388724844 /nfs/dbraw/zinc/72/48/44/388724844.db2.gz LBZGPIURAKHXFR-NSHDSACASA-N 0 3 248.345 3.564 20 30 BHEDHN C=CCCCN(C)[C@H](C)c1ccccc1F ZINC000533299408 388046555 /nfs/dbraw/zinc/04/65/55/388046555.db2.gz KQUQXYFDUXOSKJ-GFCCVEGCSA-N 0 3 221.319 3.785 20 30 BHEDHN C=CCCCN(C)[C@@H](C)c1ccccc1F ZINC000533299409 388046427 /nfs/dbraw/zinc/04/64/27/388046427.db2.gz KQUQXYFDUXOSKJ-LBPRGKRZSA-N 0 3 221.319 3.785 20 30 BHEDHN C=CCCCN(C)[C@H](C)c1cc(F)ccc1F ZINC000533302283 388047632 /nfs/dbraw/zinc/04/76/32/388047632.db2.gz PKXDQTRNDONLTK-LLVKDONJSA-N 0 3 239.309 3.924 20 30 BHEDHN C=CCCCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000533302284 388048088 /nfs/dbraw/zinc/04/80/88/388048088.db2.gz PKXDQTRNDONLTK-NSHDSACASA-N 0 3 239.309 3.924 20 30 BHEDHN CC#CCN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000533350226 388056552 /nfs/dbraw/zinc/05/65/52/388056552.db2.gz JUMTUOMNDWQZPS-AWEZNQCLSA-N 0 3 233.330 3.526 20 30 BHEDHN CC#CCN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000533350227 388056814 /nfs/dbraw/zinc/05/68/14/388056814.db2.gz JUMTUOMNDWQZPS-CQSZACIVSA-N 0 3 233.330 3.526 20 30 BHEDHN C[C@@H](N(C)CC#Cc1ccc(F)cc1)C(C)(C)C ZINC000533461329 342860846 /nfs/dbraw/zinc/86/08/46/342860846.db2.gz IIJXSKMFELEXSK-CYBMUJFWSA-N 0 3 247.357 3.544 20 30 BHEDHN C[C@H](N(C)CC#Cc1ccc(F)cc1)C(C)(C)C ZINC000533461330 342860729 /nfs/dbraw/zinc/86/07/29/342860729.db2.gz IIJXSKMFELEXSK-ZDUSSCGKSA-N 0 3 247.357 3.544 20 30 BHEDHN CCc1ccc(CN(C)CCC(C)(C)C#N)cc1 ZINC000534216281 323114707 /nfs/dbraw/zinc/11/47/07/323114707.db2.gz MBWRJMURYZWOJS-UHFFFAOYSA-N 0 3 244.382 3.621 20 30 BHEDHN C=C(C)CN(CC)Cc1ccc(OC(C)C)cc1 ZINC000534327199 323116958 /nfs/dbraw/zinc/11/69/58/323116958.db2.gz GZEDCVBIPZPTBX-UHFFFAOYSA-N 0 3 247.382 3.872 20 30 BHEDHN C=C(C)CN(CC)Cc1ccc(CC)s1 ZINC000535062960 323165135 /nfs/dbraw/zinc/16/51/35/323165135.db2.gz JSHRSSZMKSNFPA-UHFFFAOYSA-N 0 3 223.385 3.709 20 30 BHEDHN CC(C)N(CCC#N)CC1CCCCCC1 ZINC000535073372 323165408 /nfs/dbraw/zinc/16/54/08/323165408.db2.gz ILOZWZOSQJWRBI-UHFFFAOYSA-N 0 3 222.376 3.581 20 30 BHEDHN C=CCN(Cc1ccccc1F)C1CCCC1 ZINC000535666321 355552852 /nfs/dbraw/zinc/55/28/52/355552852.db2.gz RZZASOALXSCZFK-UHFFFAOYSA-N 0 3 233.330 3.756 20 30 BHEDHN C=CCCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000535681955 323188515 /nfs/dbraw/zinc/18/85/15/323188515.db2.gz VUWZPGPBNWTAGL-UHFFFAOYSA-N 0 3 241.737 3.877 20 30 BHEDHN CCN(C[C@@H](C)C#N)C[C@H]1CCCC(C)(C)C1 ZINC000535787416 323191611 /nfs/dbraw/zinc/19/16/11/323191611.db2.gz SIKSAUGNHKERRH-KBPBESRZSA-N 0 3 236.403 3.684 20 30 BHEDHN CCN(C[C@H](C)C#N)C[C@H]1CCCC(C)(C)C1 ZINC000535787434 323191560 /nfs/dbraw/zinc/19/15/60/323191560.db2.gz SIKSAUGNHKERRH-KGLIPLIRSA-N 0 3 236.403 3.684 20 30 BHEDHN CCN(C[C@@H](C)C#N)C[C@@H]1CCCC(C)(C)C1 ZINC000535787435 323191496 /nfs/dbraw/zinc/19/14/96/323191496.db2.gz SIKSAUGNHKERRH-UONOGXRCSA-N 0 3 236.403 3.684 20 30 BHEDHN CCN(C[C@H](C)C#N)C[C@@H]1CCCC(C)(C)C1 ZINC000535787436 323191477 /nfs/dbraw/zinc/19/14/77/323191477.db2.gz SIKSAUGNHKERRH-ZIAGYGMSSA-N 0 3 236.403 3.684 20 30 BHEDHN C=CCN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000535792176 323191583 /nfs/dbraw/zinc/19/15/83/323191583.db2.gz NUXYRBUFALHQKA-UHFFFAOYSA-N 0 3 227.351 3.579 20 30 BHEDHN C=CCN(CC=C)Cc1ccc(OC(C)C)cc1 ZINC000536622904 323198748 /nfs/dbraw/zinc/19/87/48/323198748.db2.gz YKXDQHOCKJYMKC-UHFFFAOYSA-N 0 3 245.366 3.648 20 30 BHEDHN CC(C)N(CCC#N)C[C@H]1CCCC(C)(C)C1 ZINC000536639845 323199112 /nfs/dbraw/zinc/19/91/12/323199112.db2.gz SODZTLVFXRIIGG-AWEZNQCLSA-N 0 3 236.403 3.827 20 30 BHEDHN CC(C)N(CCC#N)C[C@@H]1CCCC(C)(C)C1 ZINC000536639846 323199338 /nfs/dbraw/zinc/19/93/38/323199338.db2.gz SODZTLVFXRIIGG-CQSZACIVSA-N 0 3 236.403 3.827 20 30 BHEDHN CCC(CC)N(Cc1ccc(C#N)s1)C1CC1 ZINC000536650204 323199548 /nfs/dbraw/zinc/19/95/48/323199548.db2.gz QHYKLFCMPPVHMB-UHFFFAOYSA-N 0 3 248.395 3.773 20 30 BHEDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000536660293 323199751 /nfs/dbraw/zinc/19/97/51/323199751.db2.gz DNFUAMSOAOILHH-DOMZBBRYSA-N 0 3 246.354 3.552 20 30 BHEDHN CC[C@@H](C)[C@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000536660294 323199818 /nfs/dbraw/zinc/19/98/18/323199818.db2.gz DNFUAMSOAOILHH-IUODEOHRSA-N 0 3 246.354 3.552 20 30 BHEDHN CC[C@H](C)[C@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000536660295 323199717 /nfs/dbraw/zinc/19/97/17/323199717.db2.gz DNFUAMSOAOILHH-SWLSCSKDSA-N 0 3 246.354 3.552 20 30 BHEDHN CC[C@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000536660296 323199714 /nfs/dbraw/zinc/19/97/14/323199714.db2.gz DNFUAMSOAOILHH-WFASDCNBSA-N 0 3 246.354 3.552 20 30 BHEDHN C=CCCCCCN(C)Cc1ccc(C)o1 ZINC000536668953 323200262 /nfs/dbraw/zinc/20/02/62/323200262.db2.gz UDVSHFGJCZOFJV-UHFFFAOYSA-N 0 3 221.344 3.766 20 30 BHEDHN C=CC1CCN(C/C=C/c2ccccc2)CC1 ZINC000536671255 323200579 /nfs/dbraw/zinc/20/05/79/323200579.db2.gz BSLNEYWEAUEJPL-RMKNXTFCSA-N 0 3 227.351 3.598 20 30 BHEDHN C=CC1CCN(C/C=C\c2ccccc2)CC1 ZINC000536671256 323200483 /nfs/dbraw/zinc/20/04/83/323200483.db2.gz BSLNEYWEAUEJPL-TWGQIWQCSA-N 0 3 227.351 3.598 20 30 BHEDHN C=CC1CCN(Cc2ccc(SC)cc2)CC1 ZINC000536671892 323200485 /nfs/dbraw/zinc/20/04/85/323200485.db2.gz SWQMOBOGNAVVTJ-UHFFFAOYSA-N 0 3 247.407 3.807 20 30 BHEDHN C=CC1CCN(Cc2ccc(F)cc2C)CC1 ZINC000536673337 323200604 /nfs/dbraw/zinc/20/06/04/323200604.db2.gz BOAPEMUNBRYFDT-UHFFFAOYSA-N 0 3 233.330 3.532 20 30 BHEDHN C=CC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000536673549 323200736 /nfs/dbraw/zinc/20/07/36/323200736.db2.gz KSULHBQNOIGHBN-ARJAWSKDSA-N 0 3 245.341 3.737 20 30 BHEDHN C=CC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000536673550 323200656 /nfs/dbraw/zinc/20/06/56/323200656.db2.gz KSULHBQNOIGHBN-ONEGZZNKSA-N 0 3 245.341 3.737 20 30 BHEDHN C=CCCCN(C)Cc1cc(Cl)ccc1F ZINC000536679686 323200621 /nfs/dbraw/zinc/20/06/21/323200621.db2.gz JEPBZWJCONHGAQ-UHFFFAOYSA-N 0 3 241.737 3.877 20 30 BHEDHN C=CCCCN(C)Cc1cc(C)ccc1F ZINC000536681705 323200911 /nfs/dbraw/zinc/20/09/11/323200911.db2.gz SDNRRBWKXLWKLB-UHFFFAOYSA-N 0 3 221.319 3.532 20 30 BHEDHN C[C@H](C#N)CN(CC1CCC(C)(C)CC1)C1CC1 ZINC000536710327 323201687 /nfs/dbraw/zinc/20/16/87/323201687.db2.gz QSBUQEISWATMQU-CYBMUJFWSA-N 0 3 248.414 3.827 20 30 BHEDHN C[C@@H](C#N)CN(CC1CCC(C)(C)CC1)C1CC1 ZINC000536710336 323201668 /nfs/dbraw/zinc/20/16/68/323201668.db2.gz QSBUQEISWATMQU-ZDUSSCGKSA-N 0 3 248.414 3.827 20 30 BHEDHN C=CCN(Cc1cccc(OC(C)C)c1)C1CC1 ZINC000536742733 323202776 /nfs/dbraw/zinc/20/27/76/323202776.db2.gz XUMMZPLCPRLNNX-UHFFFAOYSA-N 0 3 245.366 3.624 20 30 BHEDHN C=C(CC)CN(Cc1ccccc1OC)C1CC1 ZINC000536882184 388070496 /nfs/dbraw/zinc/07/04/96/388070496.db2.gz UFQGYRAPMDAXSL-UHFFFAOYSA-N 0 3 245.366 3.626 20 30 BHEDHN C=C(CC)CN(C)[C@H](C)c1ccc(OC)cc1 ZINC000536882835 388072341 /nfs/dbraw/zinc/07/23/41/388072341.db2.gz XJZJRHCGFXWOOK-CYBMUJFWSA-N 0 3 233.355 3.654 20 30 BHEDHN C=C(CC)CN(C)[C@@H](C)c1ccc(OC)cc1 ZINC000536882840 388071908 /nfs/dbraw/zinc/07/19/08/388071908.db2.gz XJZJRHCGFXWOOK-ZDUSSCGKSA-N 0 3 233.355 3.654 20 30 BHEDHN C=CCN(CC(=C)CC)Cc1ccccc1 ZINC000536882960 388072382 /nfs/dbraw/zinc/07/23/82/388072382.db2.gz YYPSCJJTHVRDFK-UHFFFAOYSA-N 0 3 215.340 3.641 20 30 BHEDHN C=C(CC)CN(Cc1cccs1)C(C)C ZINC000536888959 388081766 /nfs/dbraw/zinc/08/17/66/388081766.db2.gz FAMKODBNJRNXFJ-UHFFFAOYSA-N 0 3 223.385 3.925 20 30 BHEDHN C=C(CC)CN(Cc1ccccc1)C1CC1 ZINC000536891771 388081382 /nfs/dbraw/zinc/08/13/82/388081382.db2.gz UFAMFDNQRRPAQS-UHFFFAOYSA-N 0 3 215.340 3.617 20 30 BHEDHN C=C(CC)CN1CCSC[C@H]1c1ccccc1 ZINC000536891843 388081427 /nfs/dbraw/zinc/08/14/27/388081427.db2.gz YKLLRBDHONDJRO-HNNXBMFYSA-N 0 3 247.407 3.743 20 30 BHEDHN C=C(CC)CN1CCSC[C@@H]1c1ccccc1 ZINC000536891844 388081665 /nfs/dbraw/zinc/08/16/65/388081665.db2.gz YKLLRBDHONDJRO-OAHLLOKOSA-N 0 3 247.407 3.743 20 30 BHEDHN C=C(CC)CN(Cc1ccco1)C1CCCC1 ZINC000536904468 388082470 /nfs/dbraw/zinc/08/24/70/388082470.db2.gz LFOOGNDBHSUNQU-UHFFFAOYSA-N 0 3 233.355 3.990 20 30 BHEDHN C=C(CC)CN[C@H](c1ncccc1C)C(C)C ZINC000536906960 388082436 /nfs/dbraw/zinc/08/24/36/388082436.db2.gz YVJGINOUYRNFDY-AWEZNQCLSA-N 0 3 232.371 3.643 20 30 BHEDHN C=C(CC)CN[C@@H](c1ncccc1C)C(C)C ZINC000536906964 388082034 /nfs/dbraw/zinc/08/20/34/388082034.db2.gz YVJGINOUYRNFDY-CQSZACIVSA-N 0 3 232.371 3.643 20 30 BHEDHN C=CCCC[C@@H](C)N1CCc2sccc2C1 ZINC000536994556 387135920 /nfs/dbraw/zinc/13/59/20/387135920.db2.gz FLQGUTSCMBXLBF-GFCCVEGCSA-N 0 3 235.396 3.851 20 30 BHEDHN C=CCCC[C@H](C)N1CCc2sccc2C1 ZINC000536994557 387136874 /nfs/dbraw/zinc/13/68/74/387136874.db2.gz FLQGUTSCMBXLBF-LBPRGKRZSA-N 0 3 235.396 3.851 20 30 BHEDHN C=CCCC[C@H](C)N(C)Cc1ccccc1OC ZINC000536995275 387135702 /nfs/dbraw/zinc/13/57/02/387135702.db2.gz ZMXYKVPGBYDUGI-AWEZNQCLSA-N 0 3 247.382 3.872 20 30 BHEDHN C=CCCC[C@@H](C)N(C)Cc1ccccc1OC ZINC000536995276 387135668 /nfs/dbraw/zinc/13/56/68/387135668.db2.gz ZMXYKVPGBYDUGI-CQSZACIVSA-N 0 3 247.382 3.872 20 30 BHEDHN C=C(C)CN[C@H](C)c1ccccc1OC(C)C ZINC000537021808 323978892 /nfs/dbraw/zinc/97/88/92/323978892.db2.gz MWSDXUBANDTPSK-CYBMUJFWSA-N 0 3 233.355 3.701 20 30 BHEDHN C=C(C)CN[C@@H](C)c1ccccc1OC(C)C ZINC000537021809 387176243 /nfs/dbraw/zinc/17/62/43/387176243.db2.gz MWSDXUBANDTPSK-ZDUSSCGKSA-N 0 3 233.355 3.701 20 30 BHEDHN C=CCN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000537125148 324013575 /nfs/dbraw/zinc/01/35/75/324013575.db2.gz ZDRXLPJFTIBXEU-HNNXBMFYSA-N 0 3 233.330 3.833 20 30 BHEDHN C=CCN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000537125149 324013708 /nfs/dbraw/zinc/01/37/08/324013708.db2.gz ZDRXLPJFTIBXEU-OAHLLOKOSA-N 0 3 233.330 3.833 20 30 BHEDHN C=C(C)CN[C@@H](CC(C)C)c1ccccc1OC ZINC000537176525 324025749 /nfs/dbraw/zinc/02/57/49/324025749.db2.gz LRSMLZXKYVZDJW-HNNXBMFYSA-N 0 3 247.382 3.948 20 30 BHEDHN C=C(C)CN[C@H](CC(C)C)c1ccccc1OC ZINC000537176526 324026203 /nfs/dbraw/zinc/02/62/03/324026203.db2.gz LRSMLZXKYVZDJW-OAHLLOKOSA-N 0 3 247.382 3.948 20 30 BHEDHN CCC[C@@H](C)CN(CCC#N)CC(C)(C)C ZINC000537197921 324034242 /nfs/dbraw/zinc/03/42/42/324034242.db2.gz MJOXLTBDELRTGJ-CYBMUJFWSA-N 0 3 224.392 3.684 20 30 BHEDHN CCC[C@H](C)CN(CCC#N)CC(C)(C)C ZINC000537197922 324034190 /nfs/dbraw/zinc/03/41/90/324034190.db2.gz MJOXLTBDELRTGJ-ZDUSSCGKSA-N 0 3 224.392 3.684 20 30 BHEDHN CN(CC1(C#N)CC1)C1CCC(C(C)(C)C)CC1 ZINC000537211034 324033822 /nfs/dbraw/zinc/03/38/22/324033822.db2.gz HZBZJILRDSLMCS-UHFFFAOYSA-N 0 3 248.414 3.827 20 30 BHEDHN CCCN(CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000537219968 324056422 /nfs/dbraw/zinc/05/64/22/324056422.db2.gz LQMLSKQQUZRPRK-UHFFFAOYSA-N 0 3 247.769 3.566 20 30 BHEDHN CC(C)(C)CN(CC(C)(C)C)CC1(C#N)CC1 ZINC000537288228 324062692 /nfs/dbraw/zinc/06/26/92/324062692.db2.gz NTQIRKHMSQSYOT-UHFFFAOYSA-N 0 3 236.403 3.684 20 30 BHEDHN C=CC1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC000537627282 387251332 /nfs/dbraw/zinc/25/13/32/387251332.db2.gz RXJYQDXQTMZDDY-UHFFFAOYSA-N 0 3 233.330 3.532 20 30 BHEDHN C=CC1CCN(Cc2ccc(F)c(C)c2)CC1 ZINC000537627344 387251250 /nfs/dbraw/zinc/25/12/50/387251250.db2.gz PNQYIPJJIFLBIU-UHFFFAOYSA-N 0 3 233.330 3.532 20 30 BHEDHN CCC1(CC)CCN(Cc2ccc(C#N)s2)C1 ZINC000537631630 324089829 /nfs/dbraw/zinc/08/98/29/324089829.db2.gz XGBLTNJXKWLPTM-UHFFFAOYSA-N 0 3 248.395 3.632 20 30 BHEDHN C=CCCCN(C)Cc1cccc(Cl)c1F ZINC000537634677 324091723 /nfs/dbraw/zinc/09/17/23/324091723.db2.gz QKGCOLIOOISBBM-UHFFFAOYSA-N 0 3 241.737 3.877 20 30 BHEDHN C=CCCCN(C)Cc1ccccc1OCC=C ZINC000537635248 324091487 /nfs/dbraw/zinc/09/14/87/324091487.db2.gz HSPWECOKINTYPP-UHFFFAOYSA-N 0 3 245.366 3.649 20 30 BHEDHN C=CCCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000537635395 324091750 /nfs/dbraw/zinc/09/17/50/324091750.db2.gz QRSFSQDIYCVLID-UHFFFAOYSA-N 0 3 241.737 3.877 20 30 BHEDHN C=CCN1CC=C(c2ccc(CC)cc2)CC1 ZINC000537852991 324108864 /nfs/dbraw/zinc/10/88/64/324108864.db2.gz CANVQDAIHDJMQP-UHFFFAOYSA-N 0 3 227.351 3.524 20 30 BHEDHN C=C(CC)CN(C)[C@H](C)c1ccc(F)cc1 ZINC000537992769 388674110 /nfs/dbraw/zinc/67/41/10/388674110.db2.gz BSSCJTXBNJZNBS-GFCCVEGCSA-N 0 3 221.319 3.785 20 30 BHEDHN C=C(CC)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000537992779 388674236 /nfs/dbraw/zinc/67/42/36/388674236.db2.gz BSSCJTXBNJZNBS-LBPRGKRZSA-N 0 3 221.319 3.785 20 30 BHEDHN C=C(CC)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000537993001 388674396 /nfs/dbraw/zinc/67/43/96/388674396.db2.gz HDOISQQGXMYNBN-HNNXBMFYSA-N 0 3 233.330 3.929 20 30 BHEDHN C=C(CC)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000537993002 388674481 /nfs/dbraw/zinc/67/44/81/388674481.db2.gz HDOISQQGXMYNBN-OAHLLOKOSA-N 0 3 233.330 3.929 20 30 BHEDHN C=C(CC)CN1CCC[C@H]1c1ccccc1OC ZINC000538001307 388675815 /nfs/dbraw/zinc/67/58/15/388675815.db2.gz VVOVXLHOXDCSEZ-HNNXBMFYSA-N 0 3 245.366 3.798 20 30 BHEDHN C=C(CC)CN1CCC[C@@H]1c1ccccc1OC ZINC000538001309 388675448 /nfs/dbraw/zinc/67/54/48/388675448.db2.gz VVOVXLHOXDCSEZ-OAHLLOKOSA-N 0 3 245.366 3.798 20 30 BHEDHN C=C(CC)CN1CCCC[C@H]1c1cccn1C ZINC000538001724 388675466 /nfs/dbraw/zinc/67/54/66/388675466.db2.gz FNPXCQGWOBWNFV-HNNXBMFYSA-N 0 3 232.371 3.518 20 30 BHEDHN C=C(CC)CN1CCCC[C@@H]1c1cccn1C ZINC000538001737 388676011 /nfs/dbraw/zinc/67/60/11/388676011.db2.gz FNPXCQGWOBWNFV-OAHLLOKOSA-N 0 3 232.371 3.518 20 30 BHEDHN C=C(CC)CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000538002538 384281372 /nfs/dbraw/zinc/28/13/72/384281372.db2.gz OIXNDPMQCWNMRS-DZGCQCFKSA-N 0 3 215.340 3.646 20 30 BHEDHN C=C(CC)CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000538002541 384280216 /nfs/dbraw/zinc/28/02/16/384280216.db2.gz OIXNDPMQCWNMRS-HIFRSBDPSA-N 0 3 215.340 3.646 20 30 BHEDHN C=C(CC)CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000538002543 384280975 /nfs/dbraw/zinc/28/09/75/384280975.db2.gz OIXNDPMQCWNMRS-UKRRQHHQSA-N 0 3 215.340 3.646 20 30 BHEDHN C=C(CC)CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000538002548 384280505 /nfs/dbraw/zinc/28/05/05/384280505.db2.gz OIXNDPMQCWNMRS-ZFWWWQNUSA-N 0 3 215.340 3.646 20 30 BHEDHN C=C(CC)CN(CC)[C@H](C)c1cccc(O)c1 ZINC000538002792 388675366 /nfs/dbraw/zinc/67/53/66/388675366.db2.gz SIRXQIVVENJUED-CYBMUJFWSA-N 0 3 233.355 3.741 20 30 BHEDHN C=C(CC)CN(CC)[C@@H](C)c1cccc(O)c1 ZINC000538002796 388675632 /nfs/dbraw/zinc/67/56/32/388675632.db2.gz SIRXQIVVENJUED-ZDUSSCGKSA-N 0 3 233.355 3.741 20 30 BHEDHN C=C(CC)CN(CCOC)[C@@H](C)c1ccccc1 ZINC000538003535 388675883 /nfs/dbraw/zinc/67/58/83/388675883.db2.gz ZCHKOGNCIAMRIF-HNNXBMFYSA-N 0 3 247.382 3.662 20 30 BHEDHN C=C(CC)CN(CCOC)[C@H](C)c1ccccc1 ZINC000538003536 388675587 /nfs/dbraw/zinc/67/55/87/388675587.db2.gz ZCHKOGNCIAMRIF-OAHLLOKOSA-N 0 3 247.382 3.662 20 30 BHEDHN C=C(CC)CN(C)Cc1cccc(OC(C)C)c1 ZINC000538046070 388676993 /nfs/dbraw/zinc/67/69/93/388676993.db2.gz VYBGNYYSDQDWKY-UHFFFAOYSA-N 0 3 247.382 3.872 20 30 BHEDHN C=CCCC[C@@H](C)N1CC=C(C(F)(F)F)CC1 ZINC000538131402 388677753 /nfs/dbraw/zinc/67/77/53/388677753.db2.gz HSSBHVJDXYDDGU-LLVKDONJSA-N 0 3 247.304 3.926 20 30 BHEDHN C=CCCC[C@H](C)N1CC=C(C(F)(F)F)CC1 ZINC000538131404 388678064 /nfs/dbraw/zinc/67/80/64/388678064.db2.gz HSSBHVJDXYDDGU-NSHDSACASA-N 0 3 247.304 3.926 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cccc(OCC)c1 ZINC000538176685 388679576 /nfs/dbraw/zinc/67/95/76/388679576.db2.gz MAWQSQVSBYJECS-CYBMUJFWSA-N 0 3 233.355 3.702 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cccc(OCC)c1 ZINC000538176688 388679216 /nfs/dbraw/zinc/67/92/16/388679216.db2.gz MAWQSQVSBYJECS-ZDUSSCGKSA-N 0 3 233.355 3.702 20 30 BHEDHN CC#CCN[C@H](C)c1ccc(SC(C)C)cc1 ZINC000538202406 324661501 /nfs/dbraw/zinc/66/15/01/324661501.db2.gz MOSDMDRCHULZQI-CYBMUJFWSA-N 0 3 247.407 3.861 20 30 BHEDHN CC#CCN[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000538202412 388680164 /nfs/dbraw/zinc/68/01/64/388680164.db2.gz MOSDMDRCHULZQI-ZDUSSCGKSA-N 0 3 247.407 3.861 20 30 BHEDHN C=CCNC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000538217049 388679848 /nfs/dbraw/zinc/67/98/48/388679848.db2.gz XQMJNIVTADSVIF-UHFFFAOYSA-N 0 3 247.382 3.732 20 30 BHEDHN C=C(C)CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000538224609 388681743 /nfs/dbraw/zinc/68/17/43/388681743.db2.gz GBYISAMTWBZIAD-AWEZNQCLSA-N 0 3 239.309 3.828 20 30 BHEDHN C=C(C)CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000538224610 388681684 /nfs/dbraw/zinc/68/16/84/388681684.db2.gz GBYISAMTWBZIAD-CQSZACIVSA-N 0 3 239.309 3.828 20 30 BHEDHN C=CCN[C@H](c1ccccc1F)C1CCCC1 ZINC000538225371 388680975 /nfs/dbraw/zinc/68/09/75/388680975.db2.gz VWGHARMXALTVBG-HNNXBMFYSA-N 0 3 233.330 3.833 20 30 BHEDHN C=CCN[C@@H](c1ccccc1F)C1CCCC1 ZINC000538225374 388681530 /nfs/dbraw/zinc/68/15/30/388681530.db2.gz VWGHARMXALTVBG-OAHLLOKOSA-N 0 3 233.330 3.833 20 30 BHEDHN C=C(CC)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000538235107 388681762 /nfs/dbraw/zinc/68/17/62/388681762.db2.gz XTCYFNXGUDJCCN-UHFFFAOYSA-N 0 3 239.309 3.756 20 30 BHEDHN CCCC1CCC(CN(C)C[C@@H](C)C#N)CC1 ZINC000538306641 388683509 /nfs/dbraw/zinc/68/35/09/388683509.db2.gz ZXDNJEYSSORYOJ-NFOMZHRRSA-N 0 3 236.403 3.684 20 30 BHEDHN CCCC1CCC(CN(C)C[C@H](C)C#N)CC1 ZINC000538306642 388683773 /nfs/dbraw/zinc/68/37/73/388683773.db2.gz ZXDNJEYSSORYOJ-WLYUNCDWSA-N 0 3 236.403 3.684 20 30 BHEDHN CCCCCN(CC1(C#N)CC1)[C@@H](C)CCC ZINC000538350187 388685361 /nfs/dbraw/zinc/68/53/61/388685361.db2.gz DUQJLKOFYYQXIN-AWEZNQCLSA-N 0 3 236.403 3.971 20 30 BHEDHN CCCCCN(CC1(C#N)CC1)[C@H](C)CCC ZINC000538350191 388684700 /nfs/dbraw/zinc/68/47/00/388684700.db2.gz DUQJLKOFYYQXIN-CQSZACIVSA-N 0 3 236.403 3.971 20 30 BHEDHN CC(C)CCN(CCC(C)C)CC1(C#N)CC1 ZINC000538360840 324672610 /nfs/dbraw/zinc/67/26/10/324672610.db2.gz ZSCQANPQHHTMTH-UHFFFAOYSA-N 0 3 236.403 3.684 20 30 BHEDHN CC[C@@H](NCc1cccc(C#N)c1F)C(C)(C)C ZINC000538389265 324673706 /nfs/dbraw/zinc/67/37/06/324673706.db2.gz CRGOJTFKTMBSGM-CYBMUJFWSA-N 0 3 248.345 3.612 20 30 BHEDHN CC[C@H](NCc1cccc(C#N)c1F)C(C)(C)C ZINC000538389283 324673987 /nfs/dbraw/zinc/67/39/87/324673987.db2.gz CRGOJTFKTMBSGM-ZDUSSCGKSA-N 0 3 248.345 3.612 20 30 BHEDHN CC[C@H](NCc1ccc(F)cc1C#N)C(C)(C)C ZINC000538391435 324674777 /nfs/dbraw/zinc/67/47/77/324674777.db2.gz CBMYKSZHQAXPAU-AWEZNQCLSA-N 0 3 248.345 3.612 20 30 BHEDHN CC[C@@H](NCc1ccc(F)cc1C#N)C(C)(C)C ZINC000538391436 324674382 /nfs/dbraw/zinc/67/43/82/324674382.db2.gz CBMYKSZHQAXPAU-CQSZACIVSA-N 0 3 248.345 3.612 20 30 BHEDHN C[C@H](C#N)CN(CC1CCCCCC1)C1CC1 ZINC000538721292 388711707 /nfs/dbraw/zinc/71/17/07/388711707.db2.gz ADGWWOOZVJZBIN-CYBMUJFWSA-N 0 3 234.387 3.581 20 30 BHEDHN C[C@@H](C#N)CN(CC1CCCCCC1)C1CC1 ZINC000538721293 388711480 /nfs/dbraw/zinc/71/14/80/388711480.db2.gz ADGWWOOZVJZBIN-ZDUSSCGKSA-N 0 3 234.387 3.581 20 30 BHEDHN C[C@@H](C#N)CN(C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725246 388712008 /nfs/dbraw/zinc/71/20/08/388712008.db2.gz IPUIKQGQFCQFFH-KBPBESRZSA-N 0 3 248.414 3.827 20 30 BHEDHN C[C@H](C#N)CN(C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725247 388712545 /nfs/dbraw/zinc/71/25/45/388712545.db2.gz IPUIKQGQFCQFFH-KGLIPLIRSA-N 0 3 248.414 3.827 20 30 BHEDHN C[C@@H](C#N)CN(C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725248 388712611 /nfs/dbraw/zinc/71/26/11/388712611.db2.gz IPUIKQGQFCQFFH-UONOGXRCSA-N 0 3 248.414 3.827 20 30 BHEDHN C[C@H](C#N)CN(C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725249 388712413 /nfs/dbraw/zinc/71/24/13/388712413.db2.gz IPUIKQGQFCQFFH-ZIAGYGMSSA-N 0 3 248.414 3.827 20 30 BHEDHN C=CCCCCCN(C)Cc1occc1C ZINC000538727936 388713677 /nfs/dbraw/zinc/71/36/77/388713677.db2.gz JCDWDBSTKBDKEX-UHFFFAOYSA-N 0 3 221.344 3.766 20 30 BHEDHN C=CC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000538728840 324743325 /nfs/dbraw/zinc/74/33/25/324743325.db2.gz BHEBTYHBDFAIFX-UHFFFAOYSA-N 0 3 235.758 3.738 20 30 BHEDHN C=CC1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000538730418 324744359 /nfs/dbraw/zinc/74/43/59/324744359.db2.gz KBIPNYXMQVYSDF-DOMZBBRYSA-N 0 3 245.366 3.801 20 30 BHEDHN C=CC1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000538730419 388713882 /nfs/dbraw/zinc/71/38/82/388713882.db2.gz KBIPNYXMQVYSDF-IUODEOHRSA-N 0 3 245.366 3.801 20 30 BHEDHN C=CC1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000538730420 388714013 /nfs/dbraw/zinc/71/40/13/388714013.db2.gz KBIPNYXMQVYSDF-SWLSCSKDSA-N 0 3 245.366 3.801 20 30 BHEDHN C=CC1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000538730421 388713549 /nfs/dbraw/zinc/71/35/49/388713549.db2.gz KBIPNYXMQVYSDF-WFASDCNBSA-N 0 3 245.366 3.801 20 30 BHEDHN C=CCCCN(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000538735954 388715074 /nfs/dbraw/zinc/71/50/74/388715074.db2.gz PVTWTSWGQMXDCE-GXTWGEPZSA-N 0 3 233.355 3.801 20 30 BHEDHN C=CCCCN(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000538735955 388715151 /nfs/dbraw/zinc/71/51/51/388715151.db2.gz PVTWTSWGQMXDCE-JSGCOSHPSA-N 0 3 233.355 3.801 20 30 BHEDHN C=CCCCN(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000538735956 388715064 /nfs/dbraw/zinc/71/50/64/388715064.db2.gz PVTWTSWGQMXDCE-OCCSQVGLSA-N 0 3 233.355 3.801 20 30 BHEDHN C=CCCCN(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000538735957 384134667 /nfs/dbraw/zinc/13/46/67/384134667.db2.gz PVTWTSWGQMXDCE-TZMCWYRMSA-N 0 3 233.355 3.801 20 30 BHEDHN C=C(C)CN1CC=C(c2cccc(C)c2)CC1 ZINC000538945953 388742743 /nfs/dbraw/zinc/74/27/43/388742743.db2.gz QEEMUTDCSMEXBW-UHFFFAOYSA-N 0 3 227.351 3.660 20 30 BHEDHN C=CCN(CCc1ccccc1Cl)C1CC1 ZINC000538957290 388742552 /nfs/dbraw/zinc/74/25/52/388742552.db2.gz UXTFDWXYBCKVTN-UHFFFAOYSA-N 0 3 235.758 3.533 20 30 BHEDHN C=C(CC)CN(C)[C@H](C)c1cccs1 ZINC000539094684 384215929 /nfs/dbraw/zinc/21/59/29/384215929.db2.gz AFUYOFRMLYVQET-LLVKDONJSA-N 0 3 209.358 3.707 20 30 BHEDHN C=C(CC)CN(C)[C@@H](C)c1cccs1 ZINC000539094685 384217090 /nfs/dbraw/zinc/21/70/90/384217090.db2.gz AFUYOFRMLYVQET-NSHDSACASA-N 0 3 209.358 3.707 20 30 BHEDHN C=CCN(CC(=C)CC)Cc1cccs1 ZINC000539094686 384215956 /nfs/dbraw/zinc/21/59/56/384215956.db2.gz AHWVYKCOVLKHIG-UHFFFAOYSA-N 0 3 221.369 3.702 20 30 BHEDHN C=C(CC)CN(Cc1cccc(F)c1)C1CC1 ZINC000539094728 388747687 /nfs/dbraw/zinc/74/76/87/388747687.db2.gz FLJMDLHXQVTQCA-UHFFFAOYSA-N 0 3 233.330 3.756 20 30 BHEDHN C=C(CC)CN(Cc1ccc(F)cc1)C1CC1 ZINC000539094746 388748444 /nfs/dbraw/zinc/74/84/44/388748444.db2.gz GVLXPDQHDKMBRD-UHFFFAOYSA-N 0 3 233.330 3.756 20 30 BHEDHN C=C(CC)CN1CCc2sccc2[C@H]1C ZINC000539095049 388748341 /nfs/dbraw/zinc/74/83/41/388748341.db2.gz BLTUYLFVNZFZNL-LLVKDONJSA-N 0 3 221.369 3.633 20 30 BHEDHN C=C(CC)CN1CCc2sccc2[C@@H]1C ZINC000539095062 388747706 /nfs/dbraw/zinc/74/77/06/388747706.db2.gz BLTUYLFVNZFZNL-NSHDSACASA-N 0 3 221.369 3.633 20 30 BHEDHN C=CCN(CC(=C)CC)Cc1cccc(C#N)c1 ZINC000539103099 388747698 /nfs/dbraw/zinc/74/76/98/388747698.db2.gz BMPRGAWEYJLFCH-UHFFFAOYSA-N 0 3 240.350 3.512 20 30 BHEDHN C=C(CC)CN1CCC[C@H]1c1cccc(F)c1 ZINC000539103285 388747992 /nfs/dbraw/zinc/74/79/92/388747992.db2.gz BXUJTFOIDUVDHJ-HNNXBMFYSA-N 0 3 233.330 3.929 20 30 BHEDHN C=C(CC)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000539103286 388748004 /nfs/dbraw/zinc/74/80/04/388748004.db2.gz BXUJTFOIDUVDHJ-OAHLLOKOSA-N 0 3 233.330 3.929 20 30 BHEDHN C=C(CC)CN(CCC(F)(F)F)CC1CC1 ZINC000539104509 388748299 /nfs/dbraw/zinc/74/82/99/388748299.db2.gz SFUIDPTXBUHTAS-UHFFFAOYSA-N 0 3 235.293 3.617 20 30 BHEDHN C=C(CC)CN1CCC[C@H](Nc2ccccc2)C1 ZINC000539116157 388748950 /nfs/dbraw/zinc/74/89/50/388748950.db2.gz OMAGKLXQURCWIC-INIZCTEOSA-N 0 3 244.382 3.529 20 30 BHEDHN C=C(CC)CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000539116158 388749362 /nfs/dbraw/zinc/74/93/62/388749362.db2.gz OMAGKLXQURCWIC-MRXNPFEDSA-N 0 3 244.382 3.529 20 30 BHEDHN CC#CCN[C@@H](CCCC)c1ccc(OC)cc1 ZINC000539305276 324831335 /nfs/dbraw/zinc/83/13/35/324831335.db2.gz IMMWCOQGQVLYDI-INIZCTEOSA-N 0 3 245.366 3.539 20 30 BHEDHN CC#CCN[C@H](CCCC)c1ccc(OC)cc1 ZINC000539305278 324831856 /nfs/dbraw/zinc/83/18/56/324831856.db2.gz IMMWCOQGQVLYDI-MRXNPFEDSA-N 0 3 245.366 3.539 20 30 BHEDHN C=C(C)CN[C@@H](CCC)c1ccc(F)cc1F ZINC000539325634 324832155 /nfs/dbraw/zinc/83/21/55/324832155.db2.gz XRMNQWJYVCVJBK-AWEZNQCLSA-N 0 3 239.309 3.972 20 30 BHEDHN C=C(C)CN[C@H](CCC)c1ccc(F)cc1F ZINC000539325637 388753759 /nfs/dbraw/zinc/75/37/59/388753759.db2.gz XRMNQWJYVCVJBK-CQSZACIVSA-N 0 3 239.309 3.972 20 30 BHEDHN CCC[C@H](C)CN(CCC#N)CCC(C)C ZINC000539398660 388757296 /nfs/dbraw/zinc/75/72/96/388757296.db2.gz IJAARGZNQOMANE-AWEZNQCLSA-N 0 3 224.392 3.684 20 30 BHEDHN CCC[C@@H](C)CN(CCC#N)CCC(C)C ZINC000539398663 388757271 /nfs/dbraw/zinc/75/72/71/388757271.db2.gz IJAARGZNQOMANE-CQSZACIVSA-N 0 3 224.392 3.684 20 30 BHEDHN CCCN(CC1CCCCC1)CC1(C#N)CC1 ZINC000539413488 388758443 /nfs/dbraw/zinc/75/84/43/388758443.db2.gz ODVYGGZVWSNYOR-UHFFFAOYSA-N 0 3 234.387 3.582 20 30 BHEDHN CCCN(CC#Cc1cccc(Cl)c1)C1CC1 ZINC000539425966 388758942 /nfs/dbraw/zinc/75/89/42/388758942.db2.gz ZGXMZKOEMPDAKL-UHFFFAOYSA-N 0 3 247.769 3.566 20 30 BHEDHN N#CC1(CN2CCC[C@H]2CC2CCCCC2)CC1 ZINC000539450523 388759640 /nfs/dbraw/zinc/75/96/40/388759640.db2.gz DNFIRUMIWLOLKB-HNNXBMFYSA-N 0 3 246.398 3.725 20 30 BHEDHN N#CC1(CN2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000539450533 388759608 /nfs/dbraw/zinc/75/96/08/388759608.db2.gz DNFIRUMIWLOLKB-OAHLLOKOSA-N 0 3 246.398 3.725 20 30 BHEDHN CCC[C@H](NCC1(C#N)CC1)C1CCCCC1 ZINC000539491930 388761398 /nfs/dbraw/zinc/76/13/98/388761398.db2.gz XAQIMZUPMRDBLE-AWEZNQCLSA-N 0 3 234.387 3.629 20 30 BHEDHN CCC[C@@H](NCC1(C#N)CC1)C1CCCCC1 ZINC000539491935 324840388 /nfs/dbraw/zinc/84/03/88/324840388.db2.gz XAQIMZUPMRDBLE-CQSZACIVSA-N 0 3 234.387 3.629 20 30 BHEDHN CC(C)CC[C@@H](NCC1(C#N)CC1)C(C)(C)C ZINC000539493512 324841402 /nfs/dbraw/zinc/84/14/02/324841402.db2.gz UESZMIKYGAJAQB-CYBMUJFWSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)CC[C@H](NCC1(C#N)CC1)C(C)(C)C ZINC000539493520 388761314 /nfs/dbraw/zinc/76/13/14/388761314.db2.gz UESZMIKYGAJAQB-ZDUSSCGKSA-N 0 3 236.403 3.731 20 30 BHEDHN C=CCCCCCN(C)Cc1ccsc1 ZINC000539827642 388781549 /nfs/dbraw/zinc/78/15/49/388781549.db2.gz OJPJFYIVHIGLKA-UHFFFAOYSA-N 0 3 223.385 3.926 20 30 BHEDHN C=CC1CCN(Cc2cc(C)ccc2F)CC1 ZINC000539828200 388782073 /nfs/dbraw/zinc/78/20/73/388782073.db2.gz JJGFIPMPTGUOLZ-UHFFFAOYSA-N 0 3 233.330 3.532 20 30 BHEDHN C=CCN(Cc1cccn1C)CC1CCCCC1 ZINC000539830607 388783932 /nfs/dbraw/zinc/78/39/32/388783932.db2.gz IHHBUMYBZJFTAN-UHFFFAOYSA-N 0 3 246.398 3.593 20 30 BHEDHN CCCCC[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000539898868 388787224 /nfs/dbraw/zinc/78/72/24/388787224.db2.gz IKODTYUIPXXAPS-CYBMUJFWSA-N 0 3 246.354 3.696 20 30 BHEDHN CCCCC[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000539898869 385023534 /nfs/dbraw/zinc/02/35/34/385023534.db2.gz IKODTYUIPXXAPS-ZDUSSCGKSA-N 0 3 246.354 3.696 20 30 BHEDHN C=C(CC)CN(CC)Cc1cccc(F)c1 ZINC000540193224 388799207 /nfs/dbraw/zinc/79/92/07/388799207.db2.gz GVROWGWDSWNPOQ-UHFFFAOYSA-N 0 3 221.319 3.614 20 30 BHEDHN C=C(CC)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000540193615 388799784 /nfs/dbraw/zinc/79/97/84/388799784.db2.gz MUMTYRGOMNZHPO-LLVKDONJSA-N 0 3 239.309 3.924 20 30 BHEDHN C=C(CC)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000540193617 388800627 /nfs/dbraw/zinc/80/06/27/388800627.db2.gz MUMTYRGOMNZHPO-NSHDSACASA-N 0 3 239.309 3.924 20 30 BHEDHN C=C(CC)CN(C)Cc1ccc(Cl)cc1 ZINC000540193628 388799971 /nfs/dbraw/zinc/79/99/71/388799971.db2.gz AJOFCMYBBRFVMB-UHFFFAOYSA-N 0 3 223.747 3.738 20 30 BHEDHN C=C(CC)CN(C)Cc1cccc(Cl)c1 ZINC000540216908 388800163 /nfs/dbraw/zinc/80/01/63/388800163.db2.gz BNOFAPKKKKVKGV-UHFFFAOYSA-N 0 3 223.747 3.738 20 30 BHEDHN C=CCNC(C)(c1ccccc1)c1ccccc1 ZINC000540403842 388804604 /nfs/dbraw/zinc/80/46/04/388804604.db2.gz LBNKZJZJBUJASB-UHFFFAOYSA-N 0 3 237.346 3.726 20 30 BHEDHN CC#CCN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000540424323 388805878 /nfs/dbraw/zinc/80/58/78/388805878.db2.gz JXQZQJHZBFHOQQ-AWEZNQCLSA-N 0 3 233.330 3.526 20 30 BHEDHN CC#CCN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000540424324 388805931 /nfs/dbraw/zinc/80/59/31/388805931.db2.gz JXQZQJHZBFHOQQ-CQSZACIVSA-N 0 3 233.330 3.526 20 30 BHEDHN C=CCN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000540424732 388805486 /nfs/dbraw/zinc/80/54/86/388805486.db2.gz WNTQSYYMIIPNQB-CYBMUJFWSA-N 0 3 239.309 3.828 20 30 BHEDHN C=CCN[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000540424733 388805793 /nfs/dbraw/zinc/80/57/93/388805793.db2.gz WNTQSYYMIIPNQB-ZDUSSCGKSA-N 0 3 239.309 3.828 20 30 BHEDHN C=CCNC1(c2ccc(F)cc2F)CCCC1 ZINC000540430325 388806533 /nfs/dbraw/zinc/80/65/33/388806533.db2.gz OKQSSJQQLILEGV-UHFFFAOYSA-N 0 3 237.293 3.510 20 30 BHEDHN C=CCCNC1(c2ccc(F)cc2F)CCC1 ZINC000540458422 324901239 /nfs/dbraw/zinc/90/12/39/324901239.db2.gz NNRQVZLIGDSICR-UHFFFAOYSA-N 0 3 237.293 3.510 20 30 BHEDHN CCC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000540592188 385181331 /nfs/dbraw/zinc/18/13/31/385181331.db2.gz VCHZWISNBLAGLD-DOMZBBRYSA-N 0 3 246.354 3.600 20 30 BHEDHN CCC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000540592189 324907419 /nfs/dbraw/zinc/90/74/19/324907419.db2.gz VCHZWISNBLAGLD-IUODEOHRSA-N 0 3 246.354 3.600 20 30 BHEDHN CCC[C@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000540592190 385180232 /nfs/dbraw/zinc/18/02/32/385180232.db2.gz VCHZWISNBLAGLD-SWLSCSKDSA-N 0 3 246.354 3.600 20 30 BHEDHN CCC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000540592191 385180991 /nfs/dbraw/zinc/18/09/91/385180991.db2.gz VCHZWISNBLAGLD-WFASDCNBSA-N 0 3 246.354 3.600 20 30 BHEDHN CCN(CCC(C)(C)C#N)Cc1ccc(C)cc1 ZINC000540687632 388815475 /nfs/dbraw/zinc/81/54/75/388815475.db2.gz MUZKUOKUFQRJHF-UHFFFAOYSA-N 0 3 244.382 3.757 20 30 BHEDHN Cc1cc(C)cc([C@H](C)NCCC(C)(C)C#N)c1 ZINC000540715713 324914184 /nfs/dbraw/zinc/91/41/84/324914184.db2.gz ZRNQEMVRIQQHKH-AWEZNQCLSA-N 0 3 244.382 3.894 20 30 BHEDHN Cc1cc(C)cc([C@@H](C)NCCC(C)(C)C#N)c1 ZINC000540715714 324914235 /nfs/dbraw/zinc/91/42/35/324914235.db2.gz ZRNQEMVRIQQHKH-CQSZACIVSA-N 0 3 244.382 3.894 20 30 BHEDHN N#CCCCN[C@H]1CCCc2ccc(Cl)cc21 ZINC000541571188 388858920 /nfs/dbraw/zinc/85/89/20/388858920.db2.gz PGHDGEZBNQXOTI-AWEZNQCLSA-N 0 3 248.757 3.611 20 30 BHEDHN N#CCCCN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000541571193 388858999 /nfs/dbraw/zinc/85/89/99/388858999.db2.gz PGHDGEZBNQXOTI-CQSZACIVSA-N 0 3 248.757 3.611 20 30 BHEDHN C=CCN(Cc1ccc(OC(C)C)cc1)C1CC1 ZINC000541760544 388867260 /nfs/dbraw/zinc/86/72/60/388867260.db2.gz LTCPKAHDJXFYEX-UHFFFAOYSA-N 0 3 245.366 3.624 20 30 BHEDHN C=CCN(Cc1ccc(OCCC)cc1)C1CC1 ZINC000541761310 388867683 /nfs/dbraw/zinc/86/76/83/388867683.db2.gz YWVHVORRIZEITJ-UHFFFAOYSA-N 0 3 245.366 3.626 20 30 BHEDHN C[C@@H](C#N)CN(C)C[C@@H](C)CC1CCCCC1 ZINC000541774960 388867645 /nfs/dbraw/zinc/86/76/45/388867645.db2.gz NQDHWXVJGAEJKG-KBPBESRZSA-N 0 3 236.403 3.684 20 30 BHEDHN C[C@@H](C#N)CN(C)C[C@H](C)CC1CCCCC1 ZINC000541774962 388866796 /nfs/dbraw/zinc/86/67/96/388866796.db2.gz NQDHWXVJGAEJKG-KGLIPLIRSA-N 0 3 236.403 3.684 20 30 BHEDHN C[C@H](C#N)CN(C)C[C@@H](C)CC1CCCCC1 ZINC000541774964 388866813 /nfs/dbraw/zinc/86/68/13/388866813.db2.gz NQDHWXVJGAEJKG-UONOGXRCSA-N 0 3 236.403 3.684 20 30 BHEDHN C[C@H](CC1CCCCC1)CN(C)C[C@H](C)C#N ZINC000541774966 388867177 /nfs/dbraw/zinc/86/71/77/388867177.db2.gz NQDHWXVJGAEJKG-ZIAGYGMSSA-N 0 3 236.403 3.684 20 30 BHEDHN CC(C)CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000541904729 323162859 /nfs/dbraw/zinc/16/28/59/323162859.db2.gz AAXSCBPFPCGZEH-GFCCVEGCSA-N 0 3 248.345 3.784 20 30 BHEDHN CC(C)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000541904730 323162816 /nfs/dbraw/zinc/16/28/16/323162816.db2.gz AAXSCBPFPCGZEH-LBPRGKRZSA-N 0 3 248.345 3.784 20 30 BHEDHN C[C@@H](NCCC(C)(C)C)c1ccc(C#N)cc1F ZINC000541904732 324993327 /nfs/dbraw/zinc/99/33/27/324993327.db2.gz AXPBFMZKTMZBQM-LLVKDONJSA-N 0 3 248.345 3.784 20 30 BHEDHN C[C@H](NCCC(C)(C)C)c1ccc(C#N)cc1F ZINC000541904733 324993266 /nfs/dbraw/zinc/99/32/66/324993266.db2.gz AXPBFMZKTMZBQM-NSHDSACASA-N 0 3 248.345 3.784 20 30 BHEDHN CCN(C[C@H](C)C#N)CC(CC)(CC)CC ZINC000542019771 325004454 /nfs/dbraw/zinc/00/44/54/325004454.db2.gz HKCCTHRKDLYDMK-CYBMUJFWSA-N 0 3 224.392 3.684 20 30 BHEDHN CCN(C[C@@H](C)C#N)CC(CC)(CC)CC ZINC000542019775 325004491 /nfs/dbraw/zinc/00/44/91/325004491.db2.gz HKCCTHRKDLYDMK-ZDUSSCGKSA-N 0 3 224.392 3.684 20 30 BHEDHN CCC(CC)(CC)CN(C[C@H](C)C#N)C1CC1 ZINC000542020244 325004692 /nfs/dbraw/zinc/00/46/92/325004692.db2.gz VSTYONKNWHDKPP-CYBMUJFWSA-N 0 3 236.403 3.827 20 30 BHEDHN CCC(CC)(CC)CN(C[C@@H](C)C#N)C1CC1 ZINC000542020245 325004664 /nfs/dbraw/zinc/00/46/64/325004664.db2.gz VSTYONKNWHDKPP-ZDUSSCGKSA-N 0 3 236.403 3.827 20 30 BHEDHN C=C1CCN(CCCc2ccc(C)cc2)CC1 ZINC000542278866 325018647 /nfs/dbraw/zinc/01/86/47/325018647.db2.gz TYDNJZOLAOMZOE-UHFFFAOYSA-N 0 3 229.367 3.580 20 30 BHEDHN CC[C@@H]1CCC[C@H](CN(CC)C[C@H](C)C#N)C1 ZINC000542464386 325028056 /nfs/dbraw/zinc/02/80/56/325028056.db2.gz GKZOHQZLFGBZFA-KFWWJZLASA-N 0 3 236.403 3.684 20 30 BHEDHN CC[C@@H]1CCC[C@@H](CN(CC)C[C@H](C)C#N)C1 ZINC000542464387 325028419 /nfs/dbraw/zinc/02/84/19/325028419.db2.gz GKZOHQZLFGBZFA-RBSFLKMASA-N 0 3 236.403 3.684 20 30 BHEDHN CC[C@@H]1CCC[C@@H](CN(CC)C[C@@H](C)C#N)C1 ZINC000542464388 325028073 /nfs/dbraw/zinc/02/80/73/325028073.db2.gz GKZOHQZLFGBZFA-RRFJBIMHSA-N 0 3 236.403 3.684 20 30 BHEDHN CC[C@@H]1CCC[C@H](CN(CC)C[C@@H](C)C#N)C1 ZINC000542464389 325029168 /nfs/dbraw/zinc/02/91/68/325029168.db2.gz GKZOHQZLFGBZFA-ZNMIVQPWSA-N 0 3 236.403 3.684 20 30 BHEDHN CCCCc1ccc([C@H](C)NCCCC#N)cc1 ZINC000542499074 325031281 /nfs/dbraw/zinc/03/12/81/325031281.db2.gz NVBYSIBEHRGXDG-AWEZNQCLSA-N 0 3 244.382 3.984 20 30 BHEDHN CCCCc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000542499075 325031444 /nfs/dbraw/zinc/03/14/44/325031444.db2.gz NVBYSIBEHRGXDG-CQSZACIVSA-N 0 3 244.382 3.984 20 30 BHEDHN CC(C)(C#N)CCN[C@@H](c1cccs1)C1CC1 ZINC000542512495 325032700 /nfs/dbraw/zinc/03/27/00/325032700.db2.gz PXIBXOMXEARBGO-CYBMUJFWSA-N 0 3 248.395 3.729 20 30 BHEDHN CC(C)(C#N)CCN[C@H](c1cccs1)C1CC1 ZINC000542512496 325032451 /nfs/dbraw/zinc/03/24/51/325032451.db2.gz PXIBXOMXEARBGO-ZDUSSCGKSA-N 0 3 248.395 3.729 20 30 BHEDHN C=C(C)CN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000542919803 325062925 /nfs/dbraw/zinc/06/29/25/325062925.db2.gz MEPYFKBJNSAYKP-CHWSQXEVSA-N 0 3 245.366 3.579 20 30 BHEDHN C=C(C)CN1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000542919806 325063131 /nfs/dbraw/zinc/06/31/31/325063131.db2.gz MEPYFKBJNSAYKP-OLZOCXBDSA-N 0 3 245.366 3.579 20 30 BHEDHN C=C(C)CN1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000542919807 325062908 /nfs/dbraw/zinc/06/29/08/325062908.db2.gz MEPYFKBJNSAYKP-QWHCGFSZSA-N 0 3 245.366 3.579 20 30 BHEDHN C=C(C)CN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000542919808 325062949 /nfs/dbraw/zinc/06/29/49/325062949.db2.gz MEPYFKBJNSAYKP-STQMWFEESA-N 0 3 245.366 3.579 20 30 BHEDHN CC[C@@H]1CCC[C@H](CN(CCC#N)C(C)C)C1 ZINC000543395148 325085914 /nfs/dbraw/zinc/08/59/14/325085914.db2.gz UDOKDSAYRASDPD-CABCVRRESA-N 0 3 236.403 3.827 20 30 BHEDHN CC[C@H]1CCC[C@H](CN(CCC#N)C(C)C)C1 ZINC000543395149 325086040 /nfs/dbraw/zinc/08/60/40/325086040.db2.gz UDOKDSAYRASDPD-GJZGRUSLSA-N 0 3 236.403 3.827 20 30 BHEDHN CC[C@@H]1CCC[C@@H](CN(CCC#N)C(C)C)C1 ZINC000543395150 325085837 /nfs/dbraw/zinc/08/58/37/325085837.db2.gz UDOKDSAYRASDPD-HUUCEWRRSA-N 0 3 236.403 3.827 20 30 BHEDHN CC[C@H]1CCC[C@@H](CN(CCC#N)C(C)C)C1 ZINC000543395152 325086143 /nfs/dbraw/zinc/08/61/43/325086143.db2.gz UDOKDSAYRASDPD-LSDHHAIUSA-N 0 3 236.403 3.827 20 30 BHEDHN CC[C@@H]1CCC[C@H](CN(C[C@H](C)C#N)C2CC2)C1 ZINC000543395658 325085973 /nfs/dbraw/zinc/08/59/73/325085973.db2.gz ONRBHPKANKWPPB-KFWWJZLASA-N 0 3 248.414 3.827 20 30 BHEDHN CC[C@@H]1CCC[C@@H](CN(C[C@H](C)C#N)C2CC2)C1 ZINC000543395659 325086261 /nfs/dbraw/zinc/08/62/61/325086261.db2.gz ONRBHPKANKWPPB-RBSFLKMASA-N 0 3 248.414 3.827 20 30 BHEDHN CC[C@@H]1CCC[C@@H](CN(C[C@@H](C)C#N)C2CC2)C1 ZINC000543395660 325086243 /nfs/dbraw/zinc/08/62/43/325086243.db2.gz ONRBHPKANKWPPB-RRFJBIMHSA-N 0 3 248.414 3.827 20 30 BHEDHN CC[C@@H]1CCC[C@H](CN(C[C@@H](C)C#N)C2CC2)C1 ZINC000543395661 325086194 /nfs/dbraw/zinc/08/61/94/325086194.db2.gz ONRBHPKANKWPPB-ZNMIVQPWSA-N 0 3 248.414 3.827 20 30 BHEDHN C=CCC[C@H](C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000543600136 325096464 /nfs/dbraw/zinc/09/64/64/325096464.db2.gz BVLVQOFEGYDFSO-DYEKYZERSA-N 0 3 233.355 3.847 20 30 BHEDHN C=CCC[C@H](C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000543600137 325096507 /nfs/dbraw/zinc/09/65/07/325096507.db2.gz BVLVQOFEGYDFSO-MBNYWOFBSA-N 0 3 233.355 3.847 20 30 BHEDHN C=CCC[C@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000543600138 325096736 /nfs/dbraw/zinc/09/67/36/325096736.db2.gz BVLVQOFEGYDFSO-OBJOEFQTSA-N 0 3 233.355 3.847 20 30 BHEDHN C=CCC[C@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000543600140 325096505 /nfs/dbraw/zinc/09/65/05/325096505.db2.gz BVLVQOFEGYDFSO-SGMGOOAPSA-N 0 3 233.355 3.847 20 30 BHEDHN C=CCN(Cc1cccc(OCCC)c1)C1CC1 ZINC000543621181 325098446 /nfs/dbraw/zinc/09/84/46/325098446.db2.gz HDPSNAJRLFVFRG-UHFFFAOYSA-N 0 3 245.366 3.626 20 30 BHEDHN C[C@@H](NCCCC1CC1)c1ccc(C#N)cc1F ZINC000543761976 325111841 /nfs/dbraw/zinc/11/18/41/325111841.db2.gz YRURPBDFDKCMJA-LLVKDONJSA-N 0 3 246.329 3.538 20 30 BHEDHN C[C@H](NCCCC1CC1)c1ccc(C#N)cc1F ZINC000543761977 325111780 /nfs/dbraw/zinc/11/17/80/325111780.db2.gz YRURPBDFDKCMJA-NSHDSACASA-N 0 3 246.329 3.538 20 30 BHEDHN C=CCN(C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000544599366 325151604 /nfs/dbraw/zinc/15/16/04/325151604.db2.gz CZEZTGMZISCFMI-ARJAWSKDSA-N 0 3 249.304 3.628 20 30 BHEDHN C=CCN(C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000544599367 325150886 /nfs/dbraw/zinc/15/08/86/325150886.db2.gz CZEZTGMZISCFMI-ONEGZZNKSA-N 0 3 249.304 3.628 20 30 BHEDHN C[C@@H](CC1CCCCC1)CN(C)[C@@H](C)CC#N ZINC000544606404 325151542 /nfs/dbraw/zinc/15/15/42/325151542.db2.gz RNSNDRQYHMFLIS-KBPBESRZSA-N 0 3 236.403 3.827 20 30 BHEDHN C[C@H](CC1CCCCC1)CN(C)[C@@H](C)CC#N ZINC000544606405 325152013 /nfs/dbraw/zinc/15/20/13/325152013.db2.gz RNSNDRQYHMFLIS-KGLIPLIRSA-N 0 3 236.403 3.827 20 30 BHEDHN C[C@H](CC#N)N(C)C[C@@H](C)CC1CCCCC1 ZINC000544606406 325151886 /nfs/dbraw/zinc/15/18/86/325151886.db2.gz RNSNDRQYHMFLIS-UONOGXRCSA-N 0 3 236.403 3.827 20 30 BHEDHN C[C@H](CC1CCCCC1)CN(C)[C@H](C)CC#N ZINC000544606407 325151619 /nfs/dbraw/zinc/15/16/19/325151619.db2.gz RNSNDRQYHMFLIS-ZIAGYGMSSA-N 0 3 236.403 3.827 20 30 BHEDHN CCC[C@H](CCc1ccccc1)NC[C@H](C)C#N ZINC000545192267 325187532 /nfs/dbraw/zinc/18/75/32/325187532.db2.gz VRBFBBXTAAOQAT-GDBMZVCRSA-N 0 3 244.382 3.537 20 30 BHEDHN CCC[C@H](CCc1ccccc1)NC[C@@H](C)C#N ZINC000545192268 325187784 /nfs/dbraw/zinc/18/77/84/325187784.db2.gz VRBFBBXTAAOQAT-GOEBONIOSA-N 0 3 244.382 3.537 20 30 BHEDHN CCC[C@@H](CCc1ccccc1)NC[C@@H](C)C#N ZINC000545192269 325187685 /nfs/dbraw/zinc/18/76/85/325187685.db2.gz VRBFBBXTAAOQAT-HOCLYGCPSA-N 0 3 244.382 3.537 20 30 BHEDHN CCC[C@@H](CCc1ccccc1)NC[C@H](C)C#N ZINC000545192270 325187663 /nfs/dbraw/zinc/18/76/63/325187663.db2.gz VRBFBBXTAAOQAT-ZBFHGGJFSA-N 0 3 244.382 3.537 20 30 BHEDHN CC[C@H](CC#N)NC[C@@H](C)CC1CCCCC1 ZINC000545875631 325240960 /nfs/dbraw/zinc/24/09/60/325240960.db2.gz NHBFCVDYVVONCC-DZGCQCFKSA-N 0 3 236.403 3.875 20 30 BHEDHN CC[C@@H](CC#N)NC[C@H](C)CC1CCCCC1 ZINC000545875642 325240970 /nfs/dbraw/zinc/24/09/70/325240970.db2.gz NHBFCVDYVVONCC-HIFRSBDPSA-N 0 3 236.403 3.875 20 30 BHEDHN CC[C@H](CC#N)NC[C@H](C)CC1CCCCC1 ZINC000545875643 325241170 /nfs/dbraw/zinc/24/11/70/325241170.db2.gz NHBFCVDYVVONCC-UKRRQHHQSA-N 0 3 236.403 3.875 20 30 BHEDHN CC[C@@H](CC#N)NC[C@@H](C)CC1CCCCC1 ZINC000545875644 325241182 /nfs/dbraw/zinc/24/11/82/325241182.db2.gz NHBFCVDYVVONCC-ZFWWWQNUSA-N 0 3 236.403 3.875 20 30 BHEDHN Cc1cccc(C)c1[C@H](C)NCCC(C)(C)C#N ZINC000546227015 325272040 /nfs/dbraw/zinc/27/20/40/325272040.db2.gz MUSLMIUMMSQBHD-AWEZNQCLSA-N 0 3 244.382 3.894 20 30 BHEDHN Cc1cccc(C)c1[C@@H](C)NCCC(C)(C)C#N ZINC000546227016 325272077 /nfs/dbraw/zinc/27/20/77/325272077.db2.gz MUSLMIUMMSQBHD-CQSZACIVSA-N 0 3 244.382 3.894 20 30 BHEDHN CCC1(CNCc2ccc(C#N)o2)CCCCC1 ZINC000546578080 325288547 /nfs/dbraw/zinc/28/85/47/325288547.db2.gz DGTZUHDTCRZESF-UHFFFAOYSA-N 0 3 246.354 3.601 20 30 BHEDHN CCCC1CCC(CN[C@@H](CC)CC#N)CC1 ZINC000546582305 325288558 /nfs/dbraw/zinc/28/85/58/325288558.db2.gz SVHHZARIDFCAEM-NRXISQOPSA-N 0 3 236.403 3.875 20 30 BHEDHN CCCC1CCC(CN[C@H](CC)CC#N)CC1 ZINC000546582306 325288454 /nfs/dbraw/zinc/28/84/54/325288454.db2.gz SVHHZARIDFCAEM-YMAMQOFZSA-N 0 3 236.403 3.875 20 30 BHEDHN CCCC[C@H](CC)CN(C[C@@H](C)C#N)C1CC1 ZINC000546931522 325318712 /nfs/dbraw/zinc/31/87/12/325318712.db2.gz ZZIABLNAAQWEES-KBPBESRZSA-N 0 3 236.403 3.827 20 30 BHEDHN CCCC[C@H](CC)CN(C[C@H](C)C#N)C1CC1 ZINC000546931523 325318887 /nfs/dbraw/zinc/31/88/87/325318887.db2.gz ZZIABLNAAQWEES-KGLIPLIRSA-N 0 3 236.403 3.827 20 30 BHEDHN CCCC[C@@H](CC)CN(C[C@@H](C)C#N)C1CC1 ZINC000546931524 325319013 /nfs/dbraw/zinc/31/90/13/325319013.db2.gz ZZIABLNAAQWEES-UONOGXRCSA-N 0 3 236.403 3.827 20 30 BHEDHN CCCC[C@@H](CC)CN(C[C@H](C)C#N)C1CC1 ZINC000546931525 325318859 /nfs/dbraw/zinc/31/88/59/325318859.db2.gz ZZIABLNAAQWEES-ZIAGYGMSSA-N 0 3 236.403 3.827 20 30 BHEDHN CCCC[C@H](CC)CN(CCC#N)CC1CC1 ZINC000546934540 325319373 /nfs/dbraw/zinc/31/93/73/325319373.db2.gz ATLIBPPFGREBMH-AWEZNQCLSA-N 0 3 236.403 3.828 20 30 BHEDHN CCCC[C@@H](CC)CN(CCC#N)CC1CC1 ZINC000546934541 325319287 /nfs/dbraw/zinc/31/92/87/325319287.db2.gz ATLIBPPFGREBMH-CQSZACIVSA-N 0 3 236.403 3.828 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000547288391 325335789 /nfs/dbraw/zinc/33/57/89/325335789.db2.gz VNHWCYSDVOCYJI-GBJTYRQASA-N 0 3 236.403 3.729 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000547288392 325335829 /nfs/dbraw/zinc/33/58/29/325335829.db2.gz VNHWCYSDVOCYJI-KBUPBQIOSA-N 0 3 236.403 3.729 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H](C(C)C)[C@H](C)C1 ZINC000547288393 325335676 /nfs/dbraw/zinc/33/56/76/325335676.db2.gz VNHWCYSDVOCYJI-TUVASFSCSA-N 0 3 236.403 3.729 20 30 BHEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1 ZINC000547288394 325335863 /nfs/dbraw/zinc/33/58/63/325335863.db2.gz VNHWCYSDVOCYJI-YJNKXOJESA-N 0 3 236.403 3.729 20 30 BHEDHN C=CCCCN(C)Cc1ccc(Cl)cc1F ZINC000548075797 388508743 /nfs/dbraw/zinc/50/87/43/388508743.db2.gz IZWUIJMEETTWMS-UHFFFAOYSA-N 0 3 241.737 3.877 20 30 BHEDHN C=CCN(C)[C@H](CC)c1ccc(Cl)cc1 ZINC000548298590 388527069 /nfs/dbraw/zinc/52/70/69/388527069.db2.gz QDBFZIVTCPAECA-CYBMUJFWSA-N 0 3 223.747 3.909 20 30 BHEDHN C=CCN(C)[C@@H](CC)c1ccc(Cl)cc1 ZINC000548298591 388527201 /nfs/dbraw/zinc/52/72/01/388527201.db2.gz QDBFZIVTCPAECA-ZDUSSCGKSA-N 0 3 223.747 3.909 20 30 BHEDHN C=CCN(C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000548298664 388526620 /nfs/dbraw/zinc/52/66/20/388526620.db2.gz HICORMOEDCZAEG-CYBMUJFWSA-N 0 3 217.356 3.989 20 30 BHEDHN C=CCN(C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000548298667 388526695 /nfs/dbraw/zinc/52/66/95/388526695.db2.gz HICORMOEDCZAEG-ZDUSSCGKSA-N 0 3 217.356 3.989 20 30 BHEDHN C=CCCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000548491321 325463972 /nfs/dbraw/zinc/46/39/72/325463972.db2.gz PENWRADQFSNEHW-AWEZNQCLSA-N 0 3 237.293 3.748 20 30 BHEDHN C=CCCN[C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000548491322 388544778 /nfs/dbraw/zinc/54/47/78/388544778.db2.gz PENWRADQFSNEHW-CQSZACIVSA-N 0 3 237.293 3.748 20 30 BHEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000549611411 388585486 /nfs/dbraw/zinc/58/54/86/388585486.db2.gz VSBRGSYOUDXVEW-GYSYKLTISA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000549611424 325510200 /nfs/dbraw/zinc/51/02/00/325510200.db2.gz VSBRGSYOUDXVEW-JTNHKYCSSA-N 0 3 248.757 3.683 20 30 BHEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000549611425 388585585 /nfs/dbraw/zinc/58/55/85/388585585.db2.gz VSBRGSYOUDXVEW-SUNKGSAMSA-N 0 3 248.757 3.683 20 30 BHEDHN C=CCCCCCN(C)Cc1ccc(CC)cn1 ZINC000549860533 388593770 /nfs/dbraw/zinc/59/37/70/388593770.db2.gz NMRHZVXRPJPZKO-UHFFFAOYSA-N 0 3 246.398 3.822 20 30 BHEDHN CC(C)(C)C1CC(NCc2ccc(C#N)s2)C1 ZINC000550251268 384712191 /nfs/dbraw/zinc/71/21/91/384712191.db2.gz BBJOTBLBZVJYTM-UHFFFAOYSA-N 0 3 248.395 3.534 20 30 BHEDHN C=CCOc1ccccc1CNC1CC(CC)C1 ZINC000551789894 388640903 /nfs/dbraw/zinc/64/09/03/388640903.db2.gz UPTKJQZHDMWSEX-UHFFFAOYSA-N 0 3 245.366 3.530 20 30 BHEDHN CN(CCCC1CCCCC1)CC(C)(C)C#N ZINC000552084831 388668709 /nfs/dbraw/zinc/66/87/09/388668709.db2.gz AUEGXZPMSINTPN-UHFFFAOYSA-N 0 3 236.403 3.828 20 30 BHEDHN CN(CC1CCC(C)(C)CC1)CC(C)(C)C#N ZINC000552085313 388668578 /nfs/dbraw/zinc/66/85/78/388668578.db2.gz YYYWYPHPLWFGRF-UHFFFAOYSA-N 0 3 236.403 3.684 20 30 BHEDHN C=CCC[C@H](NCCC(F)(F)F)c1ccco1 ZINC000552243747 388684985 /nfs/dbraw/zinc/68/49/85/388684985.db2.gz ITJWVSNVRWHMFY-JTQLQIEISA-N 0 3 247.260 3.829 20 30 BHEDHN C=CCC[C@@H](NCCC(F)(F)F)c1ccco1 ZINC000552243748 325614122 /nfs/dbraw/zinc/61/41/22/325614122.db2.gz ITJWVSNVRWHMFY-SNVBAGLBSA-N 0 3 247.260 3.829 20 30 BHEDHN C=CCN(Cc1ccc(Cl)s1)C1CCC1 ZINC000552584399 388729737 /nfs/dbraw/zinc/72/97/37/388729737.db2.gz DEWGRAXABCTHEN-UHFFFAOYSA-N 0 3 241.787 3.942 20 30 BHEDHN C=C(CC)CN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000552956565 388741604 /nfs/dbraw/zinc/74/16/04/388741604.db2.gz FGBQXJFSRRBMFI-SECBINFHSA-N 0 3 243.272 3.721 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000552956566 325670545 /nfs/dbraw/zinc/67/05/45/325670545.db2.gz FGBQXJFSRRBMFI-VIFPVBQESA-N 0 3 243.272 3.721 20 30 BHEDHN CCCN(CC#Cc1ccccc1Cl)C1CC1 ZINC000553284586 388759744 /nfs/dbraw/zinc/75/97/44/388759744.db2.gz ZEGRZSPBUAGARK-UHFFFAOYSA-N 0 3 247.769 3.566 20 30 BHEDHN C=C(C)CN(C)[C@@H](CC)c1ccccc1OC ZINC000553986753 388795796 /nfs/dbraw/zinc/79/57/96/388795796.db2.gz FASONYVDRBFKGY-AWEZNQCLSA-N 0 3 233.355 3.654 20 30 BHEDHN C=C(C)CN(C)[C@H](CC)c1ccccc1OC ZINC000553986767 388796702 /nfs/dbraw/zinc/79/67/02/388796702.db2.gz FASONYVDRBFKGY-CQSZACIVSA-N 0 3 233.355 3.654 20 30 BHEDHN C=CCC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccco1 ZINC000554096965 388801073 /nfs/dbraw/zinc/80/10/73/388801073.db2.gz SUAYPPANAVQRFX-AXFHLTTASA-N 0 3 241.281 3.530 20 30 BHEDHN C=CCC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccco1 ZINC000554096966 388800889 /nfs/dbraw/zinc/80/08/89/388800889.db2.gz SUAYPPANAVQRFX-DCAQKATOSA-N 0 3 241.281 3.530 20 30 BHEDHN C=C[C@@H]1CCCCN1C[C@@H]1CCC2(CCCC2)O1 ZINC000554840958 388833258 /nfs/dbraw/zinc/83/32/58/388833258.db2.gz KOYUSBGTUCBACT-CABCVRRESA-N 0 3 249.398 3.519 20 30 BHEDHN C=C[C@H]1CCCCN1C[C@@H]1CCC2(CCCC2)O1 ZINC000554840959 388833345 /nfs/dbraw/zinc/83/33/45/388833345.db2.gz KOYUSBGTUCBACT-GJZGRUSLSA-N 0 3 249.398 3.519 20 30 BHEDHN C=C[C@@H]1CCCCN1C[C@H]1CCC2(CCCC2)O1 ZINC000554840960 388833358 /nfs/dbraw/zinc/83/33/58/388833358.db2.gz KOYUSBGTUCBACT-HUUCEWRRSA-N 0 3 249.398 3.519 20 30 BHEDHN C=C[C@H]1CCCCN1C[C@H]1CCC2(CCCC2)O1 ZINC000554840961 388832733 /nfs/dbraw/zinc/83/27/33/388832733.db2.gz KOYUSBGTUCBACT-LSDHHAIUSA-N 0 3 249.398 3.519 20 30 BHEDHN N#CC1CCN(CCCC2CCCCC2)CC1 ZINC000554855635 325738199 /nfs/dbraw/zinc/73/81/99/325738199.db2.gz UXXGLBDGWXVNJD-UHFFFAOYSA-N 0 3 234.387 3.582 20 30 BHEDHN C=CC1CCN(Cc2sccc2Cl)CC1 ZINC000555016173 397989369 /nfs/dbraw/zinc/98/93/69/397989369.db2.gz UYPPWBOJIVOYBP-UHFFFAOYSA-N 0 3 241.787 3.800 20 30 BHEDHN C=C(C)CN(CC)Cc1ccc(SC)s1 ZINC000555092737 397992942 /nfs/dbraw/zinc/99/29/42/397992942.db2.gz RZOMKRCUJCIRGM-UHFFFAOYSA-N 0 3 241.425 3.868 20 30 BHEDHN C=C(C)CN(CC)Cc1ccc(C(C)C)nc1C ZINC000555294982 388844998 /nfs/dbraw/zinc/84/49/98/388844998.db2.gz LRWXOLXMWXDALH-UHFFFAOYSA-N 0 3 246.398 3.911 20 30 BHEDHN C[C@H](CN(C)CC(C)(C)C#N)C1CCCCC1 ZINC000555545875 388853922 /nfs/dbraw/zinc/85/39/22/388853922.db2.gz MVVKDHJAOABQGP-CYBMUJFWSA-N 0 3 236.403 3.684 20 30 BHEDHN C[C@@H](CN(C)CC(C)(C)C#N)C1CCCCC1 ZINC000555545877 388853662 /nfs/dbraw/zinc/85/36/62/388853662.db2.gz MVVKDHJAOABQGP-ZDUSSCGKSA-N 0 3 236.403 3.684 20 30 BHEDHN CCCC[C@@H](C)N(CCC#N)CCCC ZINC000555673750 388858057 /nfs/dbraw/zinc/85/80/57/388858057.db2.gz ULCHOMPICGRBBJ-CYBMUJFWSA-N 0 3 210.365 3.581 20 30 BHEDHN CCCC[C@H](C)N(CCC#N)CCCC ZINC000555673751 388859016 /nfs/dbraw/zinc/85/90/16/388859016.db2.gz ULCHOMPICGRBBJ-ZDUSSCGKSA-N 0 3 210.365 3.581 20 30 BHEDHN CC(C)C(CN(CCC#N)C(C)C)C(C)C ZINC000556602664 384436109 /nfs/dbraw/zinc/43/61/09/384436109.db2.gz VCYZNORYIOIXCE-UHFFFAOYSA-N 0 3 224.392 3.539 20 30 BHEDHN C=C(CC)CN1CC[C@H](c2cccc(F)c2)C1 ZINC000557290974 384904228 /nfs/dbraw/zinc/90/42/28/384904228.db2.gz FINGEUSHQNRROP-AWEZNQCLSA-N 0 3 233.330 3.581 20 30 BHEDHN C=C(CC)CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000557290975 384903985 /nfs/dbraw/zinc/90/39/85/384903985.db2.gz FINGEUSHQNRROP-CQSZACIVSA-N 0 3 233.330 3.581 20 30 BHEDHN C=C(CC)CN(C)Cc1cc2ccccc2o1 ZINC000557291628 384905890 /nfs/dbraw/zinc/90/58/90/384905890.db2.gz KJINTXFUSMVZEK-UHFFFAOYSA-N 0 3 229.323 3.831 20 30 BHEDHN CC(C)C1CCC(CN(C)[C@@H](C)CC#N)CC1 ZINC000557521254 384998912 /nfs/dbraw/zinc/99/89/12/384998912.db2.gz RYEZOBSMXCXEKT-NFOMZHRRSA-N 0 3 236.403 3.683 20 30 BHEDHN CC(C)C1CCC(CN(C)[C@H](C)CC#N)CC1 ZINC000557521256 384998445 /nfs/dbraw/zinc/99/84/45/384998445.db2.gz RYEZOBSMXCXEKT-WLYUNCDWSA-N 0 3 236.403 3.683 20 30 BHEDHN C=CCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000558178852 383833230 /nfs/dbraw/zinc/83/32/30/383833230.db2.gz AMNKUVABINGXPO-GFCCVEGCSA-N 0 3 221.369 3.707 20 30 BHEDHN C=CCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000558178853 383831500 /nfs/dbraw/zinc/83/15/00/383831500.db2.gz AMNKUVABINGXPO-LBPRGKRZSA-N 0 3 221.369 3.707 20 30 BHEDHN CC#CCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000558185847 383828736 /nfs/dbraw/zinc/82/87/36/383828736.db2.gz XVSHOAFKVAUUTP-CYBMUJFWSA-N 0 3 233.380 3.544 20 30 BHEDHN CC#CCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000558185852 383829859 /nfs/dbraw/zinc/82/98/59/383829859.db2.gz XVSHOAFKVAUUTP-ZDUSSCGKSA-N 0 3 233.380 3.544 20 30 BHEDHN C=CCN(C/C=C\c1ccc(F)c(F)c1)C1CC1 ZINC000558406956 383986672 /nfs/dbraw/zinc/98/66/72/383986672.db2.gz WPQAYQXNVSXGTK-ARJAWSKDSA-N 0 3 249.304 3.628 20 30 BHEDHN C=CCN(C/C=C/c1ccc(F)c(F)c1)C1CC1 ZINC000558406957 383986251 /nfs/dbraw/zinc/98/62/51/383986251.db2.gz WPQAYQXNVSXGTK-ONEGZZNKSA-N 0 3 249.304 3.628 20 30 BHEDHN C=CCCCN(C)Cc1ccc(SC)s1 ZINC000558566570 384189353 /nfs/dbraw/zinc/18/93/53/384189353.db2.gz QBIKOXTZQMZKMX-UHFFFAOYSA-N 0 3 241.425 3.868 20 30 BHEDHN C=CCCCCCN[C@H](C)c1ccncc1F ZINC000558735039 384267480 /nfs/dbraw/zinc/26/74/80/384267480.db2.gz YYJVEJNNTODNRN-GFCCVEGCSA-N 0 3 236.334 3.618 20 30 BHEDHN C=CCCCCCN[C@@H](C)c1ccncc1F ZINC000558735046 322954695 /nfs/dbraw/zinc/95/46/95/322954695.db2.gz YYJVEJNNTODNRN-LBPRGKRZSA-N 0 3 236.334 3.618 20 30 BHEDHN C=C(C)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000558740064 384266514 /nfs/dbraw/zinc/26/65/14/384266514.db2.gz UDKBDMSLCTYTAJ-LLVKDONJSA-N 0 3 247.304 3.617 20 30 BHEDHN C=C(C)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000558740065 384267703 /nfs/dbraw/zinc/26/77/03/384267703.db2.gz UDKBDMSLCTYTAJ-NSHDSACASA-N 0 3 247.304 3.617 20 30 BHEDHN C[C@H](C1CCCCC1)N(C)Cc1ccc(C#N)o1 ZINC000559071585 397928900 /nfs/dbraw/zinc/92/89/00/397928900.db2.gz DUVHSYGQSIMEEK-GFCCVEGCSA-N 0 3 246.354 3.552 20 30 BHEDHN CC#CCN(C)C(c1ccccc1)c1ccccc1 ZINC000559458825 490396170 /nfs/dbraw/zinc/39/61/70/490396170.db2.gz MGGFVRYUTJBESV-UHFFFAOYSA-N 0 3 249.357 3.731 20 30 BHEDHN C=C(C)CCN1CCC(CC(F)(F)F)CC1 ZINC000560169894 322983523 /nfs/dbraw/zinc/98/35/23/322983523.db2.gz BXDFVBJUMHTHRQ-UHFFFAOYSA-N 0 3 235.293 3.617 20 30 BHEDHN C=CCCCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000560186299 383957818 /nfs/dbraw/zinc/95/78/18/383957818.db2.gz CBYQKQZYQCGJMY-LLVKDONJSA-N 0 3 235.293 3.617 20 30 BHEDHN C=CCCCCN1CCC[C@H](C(F)(F)F)C1 ZINC000560186300 383958231 /nfs/dbraw/zinc/95/82/31/383958231.db2.gz CBYQKQZYQCGJMY-NSHDSACASA-N 0 3 235.293 3.617 20 30 BHEDHN CC(C)C(CN(CCC#N)CC1CC1)C(C)C ZINC000560256689 344683151 /nfs/dbraw/zinc/68/31/51/344683151.db2.gz GXGWMHYBQOHZCC-UHFFFAOYSA-N 0 3 236.403 3.540 20 30 BHEDHN CC(C)C(CN(C[C@H](C)C#N)C1CC1)C(C)C ZINC000560258422 384026881 /nfs/dbraw/zinc/02/68/81/384026881.db2.gz ZABFVLHVGOTDKU-CYBMUJFWSA-N 0 3 236.403 3.539 20 30 BHEDHN CC(C)C(CN(C[C@@H](C)C#N)C1CC1)C(C)C ZINC000560258424 384026183 /nfs/dbraw/zinc/02/61/83/384026183.db2.gz ZABFVLHVGOTDKU-ZDUSSCGKSA-N 0 3 236.403 3.539 20 30 BHEDHN C=C1CCN(Cc2ccc(OCCC)cc2)CC1 ZINC000560406654 322986985 /nfs/dbraw/zinc/98/69/85/322986985.db2.gz NWFYEXKPEWMVMK-UHFFFAOYSA-N 0 3 245.366 3.627 20 30 BHEDHN C=C(C)CCN1CCc2cccc(F)c2[C@H]1C ZINC000560469073 384156171 /nfs/dbraw/zinc/15/61/71/384156171.db2.gz TZETZKFDAJQUFN-GFCCVEGCSA-N 0 3 233.330 3.711 20 30 BHEDHN C=C(C)CCN1CCc2cccc(F)c2[C@@H]1C ZINC000560469074 384154220 /nfs/dbraw/zinc/15/42/20/384154220.db2.gz TZETZKFDAJQUFN-LBPRGKRZSA-N 0 3 233.330 3.711 20 30 BHEDHN CN(C[C@@H]1CCCC(C)(C)C1)CC(C)(C)C#N ZINC000560569712 384228202 /nfs/dbraw/zinc/22/82/02/384228202.db2.gz QFCGUJSAWUOEBI-CYBMUJFWSA-N 0 3 236.403 3.684 20 30 BHEDHN CN(C[C@H]1CCCC(C)(C)C1)CC(C)(C)C#N ZINC000560569713 384225987 /nfs/dbraw/zinc/22/59/87/384225987.db2.gz QFCGUJSAWUOEBI-ZDUSSCGKSA-N 0 3 236.403 3.684 20 30 BHEDHN CN(CCC1CCCCCC1)CC(C)(C)C#N ZINC000560569993 384231660 /nfs/dbraw/zinc/23/16/60/384231660.db2.gz ZKCFVXUEXIIKHQ-UHFFFAOYSA-N 0 3 236.403 3.828 20 30 BHEDHN C[C@H](N[C@H]1CC[C@H]1C)c1ccc(C#N)cc1Cl ZINC000560573391 322989813 /nfs/dbraw/zinc/98/98/13/322989813.db2.gz YEARMRBVTWNZNF-BFVZDQMLSA-N 0 3 248.757 3.661 20 30 BHEDHN C[C@H](N[C@H]1CC[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000560573394 322989774 /nfs/dbraw/zinc/98/97/74/322989774.db2.gz YEARMRBVTWNZNF-BHDSKKPTSA-N 0 3 248.757 3.661 20 30 BHEDHN C[C@H](N[C@@H]1CC[C@H]1C)c1ccc(C#N)cc1Cl ZINC000560573395 384234195 /nfs/dbraw/zinc/23/41/95/384234195.db2.gz YEARMRBVTWNZNF-ISTVAULSSA-N 0 3 248.757 3.661 20 30 BHEDHN C[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000560573396 384232998 /nfs/dbraw/zinc/23/29/98/384232998.db2.gz YEARMRBVTWNZNF-PKFCDNJMSA-N 0 3 248.757 3.661 20 30 BHEDHN C=CCN(CC=C)[C@H](C)c1ccc(F)cc1 ZINC000560692385 384308165 /nfs/dbraw/zinc/30/81/65/384308165.db2.gz AECYNYOABVQRSR-GFCCVEGCSA-N 0 3 219.303 3.561 20 30 BHEDHN C=CCN(CC=C)[C@@H](C)c1ccc(F)cc1 ZINC000560692386 322991705 /nfs/dbraw/zinc/99/17/05/322991705.db2.gz AECYNYOABVQRSR-LBPRGKRZSA-N 0 3 219.303 3.561 20 30 BHEDHN C=CCN(CC(=C)CC)Cc1ccc(OC)cc1 ZINC000560927441 384412359 /nfs/dbraw/zinc/41/23/59/384412359.db2.gz MRFLOADYMFCOPJ-UHFFFAOYSA-N 0 3 245.366 3.649 20 30 BHEDHN CCC[C@@H](C)CN(C)Cc1cc(C#N)ccc1F ZINC000561253973 385160623 /nfs/dbraw/zinc/16/06/23/385160623.db2.gz FZQAEEFHOQHVJM-GFCCVEGCSA-N 0 3 248.345 3.565 20 30 BHEDHN CCC[C@H](C)CN(C)Cc1cc(C#N)ccc1F ZINC000561253976 385160085 /nfs/dbraw/zinc/16/00/85/385160085.db2.gz FZQAEEFHOQHVJM-LBPRGKRZSA-N 0 3 248.345 3.565 20 30 BHEDHN CCC(CC)N(CC)Cc1ccc(C#N)cc1F ZINC000561788406 323006999 /nfs/dbraw/zinc/00/69/99/323006999.db2.gz YMOXQPJBMYAEDX-UHFFFAOYSA-N 0 3 248.345 3.708 20 30 BHEDHN CCC(CC)N(CC)Cc1cccc(C#N)c1F ZINC000561788535 323006944 /nfs/dbraw/zinc/00/69/44/323006944.db2.gz ZLOHJQNOEOQZLX-UHFFFAOYSA-N 0 3 248.345 3.708 20 30 BHEDHN C=C(C)CN1CC(C)(C)[C@H]1c1cccs1 ZINC000561957093 323009425 /nfs/dbraw/zinc/00/94/25/323009425.db2.gz LIINHWSKDVNXAA-GFCCVEGCSA-N 0 3 221.369 3.707 20 30 BHEDHN C=C(C)CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000561957099 323009372 /nfs/dbraw/zinc/00/93/72/323009372.db2.gz LIINHWSKDVNXAA-LBPRGKRZSA-N 0 3 221.369 3.707 20 30 BHEDHN C=CCC[C@H](C)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000562056152 345276159 /nfs/dbraw/zinc/27/61/59/345276159.db2.gz CICLRKRKQRHVES-FIXISWKDSA-N 0 3 249.329 3.592 20 30 BHEDHN C=CCC[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000562056153 345276138 /nfs/dbraw/zinc/27/61/38/345276138.db2.gz CICLRKRKQRHVES-PGUXBMHVSA-N 0 3 249.329 3.592 20 30 BHEDHN C=CCC[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000562056154 345275909 /nfs/dbraw/zinc/27/59/09/345275909.db2.gz CICLRKRKQRHVES-RWSFTLGLSA-N 0 3 249.329 3.592 20 30 BHEDHN C=CCC[C@H](C)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000562056155 345276179 /nfs/dbraw/zinc/27/61/79/345276179.db2.gz CICLRKRKQRHVES-ZIBATOQPSA-N 0 3 249.329 3.592 20 30 BHEDHN CC(C)(C)C1CCC(CNCC2(C#N)CC2)CC1 ZINC000562391538 345373765 /nfs/dbraw/zinc/37/37/65/345373765.db2.gz IZMQUVSNIMGDOK-UHFFFAOYSA-N 0 3 248.414 3.732 20 30 BHEDHN C[C@H](NC1CC(C)(C)C1)c1ccc(C#N)cc1F ZINC000562413073 323019235 /nfs/dbraw/zinc/01/92/35/323019235.db2.gz NNUYAHOFBDQLMR-JTQLQIEISA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](NC1CC(C)(C)C1)c1ccc(C#N)cc1F ZINC000562413074 323019196 /nfs/dbraw/zinc/01/91/96/323019196.db2.gz NNUYAHOFBDQLMR-SNVBAGLBSA-N 0 3 246.329 3.537 20 30 BHEDHN CC(C)[C@@H](C)N(C)CC#Cc1cccc(Cl)c1 ZINC000562487088 323021833 /nfs/dbraw/zinc/02/18/33/323021833.db2.gz ZDBZRAXTYXWXQP-CYBMUJFWSA-N 0 3 249.785 3.668 20 30 BHEDHN CC(C)[C@H](C)N(C)CC#Cc1cccc(Cl)c1 ZINC000562487089 323021796 /nfs/dbraw/zinc/02/17/96/323021796.db2.gz ZDBZRAXTYXWXQP-ZDUSSCGKSA-N 0 3 249.785 3.668 20 30 BHEDHN Cc1cc(OCCCC(C)(C)C#N)c(C)c(C)n1 ZINC000563414759 323123301 /nfs/dbraw/zinc/12/33/01/323123301.db2.gz AAJPTMZFIXSUFU-UHFFFAOYSA-N 0 3 246.354 3.716 20 30 BHEDHN CC(C)=CCC[C@H](C)CCNCC1(C#N)CC1 ZINC000563854028 323180891 /nfs/dbraw/zinc/18/08/91/323180891.db2.gz RDIMFUYIDUGQAZ-AWEZNQCLSA-N 0 3 234.387 3.652 20 30 BHEDHN CC(C)=CCC[C@@H](C)CCNCC1(C#N)CC1 ZINC000563854029 323180931 /nfs/dbraw/zinc/18/09/31/323180931.db2.gz RDIMFUYIDUGQAZ-CQSZACIVSA-N 0 3 234.387 3.652 20 30 BHEDHN CCCC[C@H](C)N(C)CC#Cc1ccccc1 ZINC000564400792 388874828 /nfs/dbraw/zinc/87/48/28/388874828.db2.gz SMIPSTXNLURVJK-HNNXBMFYSA-N 0 3 229.367 3.549 20 30 BHEDHN CCCC[C@@H](C)N(C)CC#Cc1ccccc1 ZINC000564400793 388874601 /nfs/dbraw/zinc/87/46/01/388874601.db2.gz SMIPSTXNLURVJK-OAHLLOKOSA-N 0 3 229.367 3.549 20 30 BHEDHN C=CCCCCN1CC=C(C(F)(F)F)CC1 ZINC000564705796 388884402 /nfs/dbraw/zinc/88/44/02/388884402.db2.gz KTYMVUMNVAUSPW-UHFFFAOYSA-N 0 3 233.277 3.537 20 30 BHEDHN CCC(C)(C)C1CCC(NCC2(C#N)CC2)CC1 ZINC000564769925 323034380 /nfs/dbraw/zinc/03/43/80/323034380.db2.gz BUSQFHQVZJZRMC-UHFFFAOYSA-N 0 3 248.414 3.875 20 30 BHEDHN CC(C)N(CCC#N)CCCC1CCCCC1 ZINC000565330461 388939252 /nfs/dbraw/zinc/93/92/52/388939252.db2.gz SUAWGQRQIISHMY-UHFFFAOYSA-N 0 3 236.403 3.971 20 30 BHEDHN C=CCCCCN[C@H](CC)c1nc(C)cs1 ZINC000565698273 388963886 /nfs/dbraw/zinc/96/38/86/388963886.db2.gz NIZUJRUDNUDEDL-GFCCVEGCSA-N 0 3 238.400 3.849 20 30 BHEDHN C=CCCCCN[C@@H](CC)c1nc(C)cs1 ZINC000565698286 325944390 /nfs/dbraw/zinc/94/43/90/325944390.db2.gz NIZUJRUDNUDEDL-LBPRGKRZSA-N 0 3 238.400 3.849 20 30 BHEDHN CC(C)(CCCc1ccccc1)CNCCC#N ZINC000565712351 388964659 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ILMLJGONGNSVMH-ZDUSSCGKSA-N 0 3 238.400 3.714 20 30 BHEDHN CC#CCN(C)[C@@H](C)CCSc1ccccc1 ZINC000580846943 367187167 /nfs/dbraw/zinc/18/71/67/367187167.db2.gz HDWMMRADILGELX-AWEZNQCLSA-N 0 3 247.407 3.512 20 30 BHEDHN CC#CCN(C)[C@H](C)CCSc1ccccc1 ZINC000580846944 367187329 /nfs/dbraw/zinc/18/73/29/367187329.db2.gz HDWMMRADILGELX-CQSZACIVSA-N 0 3 247.407 3.512 20 30 BHEDHN CCC(CC)N(CC)Cc1cc(C#N)ccc1F ZINC000581154902 367278181 /nfs/dbraw/zinc/27/81/81/367278181.db2.gz QHFROCNYGMAHSV-UHFFFAOYSA-N 0 3 248.345 3.708 20 30 BHEDHN C[C@@H](CN(CCC#N)CC1CC1)C1CCCCC1 ZINC000581614804 367636299 /nfs/dbraw/zinc/63/62/99/367636299.db2.gz JFNYQKUGBDRVTR-AWEZNQCLSA-N 0 3 248.414 3.828 20 30 BHEDHN C[C@H](CN(CCC#N)CC1CC1)C1CCCCC1 ZINC000581614805 367636593 /nfs/dbraw/zinc/63/65/93/367636593.db2.gz JFNYQKUGBDRVTR-CQSZACIVSA-N 0 3 248.414 3.828 20 30 BHEDHN C=CCCCCN(C)Cc1nc2ccccc2o1 ZINC000581984271 368045886 /nfs/dbraw/zinc/04/58/86/368045886.db2.gz HXNORZKXOFDYCO-UHFFFAOYSA-N 0 3 244.338 3.616 20 30 BHEDHN C=CCCCCN[C@H](CC)c1c(C)noc1C ZINC000582587377 357345696 /nfs/dbraw/zinc/34/56/96/357345696.db2.gz MMZAJBPDZSTGPP-CYBMUJFWSA-N 0 3 236.359 3.688 20 30 BHEDHN C=CCCCCN[C@@H](CC)c1c(C)noc1C ZINC000582587379 357345669 /nfs/dbraw/zinc/34/56/69/357345669.db2.gz MMZAJBPDZSTGPP-ZDUSSCGKSA-N 0 3 236.359 3.688 20 30 BHEDHN CCC(CC)(CC)CN(C)CC(C)(C)C#N ZINC000582716854 357369806 /nfs/dbraw/zinc/36/98/06/357369806.db2.gz LXXHJWIMNPTUDZ-UHFFFAOYSA-N 0 3 224.392 3.684 20 30 BHEDHN C=C(C)CCN1CC[C@@](F)(c2ccccc2)C1 ZINC000582797905 357398548 /nfs/dbraw/zinc/39/85/48/357398548.db2.gz LVYBGKVPPBZNGS-HNNXBMFYSA-N 0 3 233.330 3.523 20 30 BHEDHN C=C(C)CCN1CC[C@](F)(c2ccccc2)C1 ZINC000582797906 357398616 /nfs/dbraw/zinc/39/86/16/357398616.db2.gz LVYBGKVPPBZNGS-OAHLLOKOSA-N 0 3 233.330 3.523 20 30 BHEDHN C=C(CC)CN[C@@H](CC(C)C)c1ccccn1 ZINC000582807230 357401642 /nfs/dbraw/zinc/40/16/42/357401642.db2.gz ZFAKNJBGVDLPHG-HNNXBMFYSA-N 0 3 232.371 3.725 20 30 BHEDHN C=C(CC)CN[C@H](CC(C)C)c1ccccn1 ZINC000582807231 357401728 /nfs/dbraw/zinc/40/17/28/357401728.db2.gz ZFAKNJBGVDLPHG-OAHLLOKOSA-N 0 3 232.371 3.725 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccc2occc2c1 ZINC000583172171 357501084 /nfs/dbraw/zinc/50/10/84/357501084.db2.gz WOAXHOVXSYLONQ-HNNXBMFYSA-N 0 3 241.334 3.973 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccc2occc2c1 ZINC000583172172 357501183 /nfs/dbraw/zinc/50/11/83/357501183.db2.gz WOAXHOVXSYLONQ-OAHLLOKOSA-N 0 3 241.334 3.973 20 30 BHEDHN C=CCCCCN(C)Cc1cccs1 ZINC000583303445 357888547 /nfs/dbraw/zinc/88/85/47/357888547.db2.gz DIZFWTCCDFJSPS-UHFFFAOYSA-N 0 3 209.358 3.536 20 30 BHEDHN Cc1ccc(C)c(CN(C)CCC(C)(C)C#N)c1 ZINC000583985987 342824320 /nfs/dbraw/zinc/82/43/20/342824320.db2.gz IFJZRUZFXDUYRJ-UHFFFAOYSA-N 0 3 244.382 3.675 20 30 BHEDHN CCC(CC)N(CC)Cc1ccc(F)cc1C#N ZINC000584076885 385029007 /nfs/dbraw/zinc/02/90/07/385029007.db2.gz SFYHUHIVEVSVDU-UHFFFAOYSA-N 0 3 248.345 3.708 20 30 BHEDHN CC(C)(C)C1CC(NCc2cc(C#N)cs2)C1 ZINC000584733667 358165003 /nfs/dbraw/zinc/16/50/03/358165003.db2.gz OLAYDFYAUSOBIM-UHFFFAOYSA-N 0 3 248.395 3.534 20 30 BHEDHN CN(CCC(C)(C)C#N)C(C)(C)c1ccccc1 ZINC000585754269 345985308 /nfs/dbraw/zinc/98/53/08/345985308.db2.gz CQBFOVUGCRKWRU-UHFFFAOYSA-N 0 3 244.382 3.793 20 30 BHEDHN CC(C)C(CN1CCC[C@@](C)(C#N)C1)C(C)C ZINC000585767310 345989099 /nfs/dbraw/zinc/98/90/99/345989099.db2.gz JYIRJBCDILLHOU-HNNXBMFYSA-N 0 3 236.403 3.540 20 30 BHEDHN CC(C)C(CN1CCC[C@](C)(C#N)C1)C(C)C ZINC000585767311 345989206 /nfs/dbraw/zinc/98/92/06/345989206.db2.gz JYIRJBCDILLHOU-OAHLLOKOSA-N 0 3 236.403 3.540 20 30 BHEDHN C=CCN(Cc1ccc(Cl)s1)C(C)C ZINC000588783247 344188462 /nfs/dbraw/zinc/18/84/62/344188462.db2.gz XMBSASUVFRQAPO-UHFFFAOYSA-N 0 3 229.776 3.798 20 30 BHEDHN CC1=C[C@H](C)C[C@H](CN2CCC[C@@](C)(C#N)C2)C1 ZINC000589511569 346710620 /nfs/dbraw/zinc/71/06/20/346710620.db2.gz VOQSFQZVTJXVIQ-BPUTZDHNSA-N 0 3 246.398 3.604 20 30 BHEDHN CC1=C[C@H](C)C[C@H](CN2CCC[C@](C)(C#N)C2)C1 ZINC000589511571 346710590 /nfs/dbraw/zinc/71/05/90/346710590.db2.gz VOQSFQZVTJXVIQ-CWRNSKLLSA-N 0 3 246.398 3.604 20 30 BHEDHN CC1=C[C@H](C)C[C@@H](CN2CCC[C@@](C)(C#N)C2)C1 ZINC000589511573 346710548 /nfs/dbraw/zinc/71/05/48/346710548.db2.gz VOQSFQZVTJXVIQ-IMJJTQAJSA-N 0 3 246.398 3.604 20 30 BHEDHN CC1=C[C@H](C)C[C@@H](CN2CCC[C@](C)(C#N)C2)C1 ZINC000589511574 346710613 /nfs/dbraw/zinc/71/06/13/346710613.db2.gz VOQSFQZVTJXVIQ-NUEKZKHPSA-N 0 3 246.398 3.604 20 30 BHEDHN C=CCN(Cc1cccs1)[C@@H]1C=CCCC1 ZINC000590400343 347087478 /nfs/dbraw/zinc/08/74/78/347087478.db2.gz CPYYPWGDLOLTAE-CYBMUJFWSA-N 0 3 233.380 3.845 20 30 BHEDHN C=CCN(Cc1cccs1)[C@H]1C=CCCC1 ZINC000590400353 347087574 /nfs/dbraw/zinc/08/75/74/347087574.db2.gz CPYYPWGDLOLTAE-ZDUSSCGKSA-N 0 3 233.380 3.845 20 30 BHEDHN C=CCCCCN(CCC#N)CC(C)(C)C ZINC000590696559 347492572 /nfs/dbraw/zinc/49/25/72/347492572.db2.gz GITSDTCBYGSWTK-UHFFFAOYSA-N 0 3 222.376 3.604 20 30 BHEDHN CCC(C)(C)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000590777876 347534101 /nfs/dbraw/zinc/53/41/01/347534101.db2.gz OCPKHJYSFXRZFF-LLVKDONJSA-N 0 3 248.345 3.612 20 30 BHEDHN CCC(C)(C)[C@H](C)NCc1ccc(C#N)cc1F ZINC000590777877 347533836 /nfs/dbraw/zinc/53/38/36/347533836.db2.gz OCPKHJYSFXRZFF-NSHDSACASA-N 0 3 248.345 3.612 20 30 BHEDHN CCC(C)(C)[C@@H](C)NCc1cc(C#N)ccc1F ZINC000590778101 347534247 /nfs/dbraw/zinc/53/42/47/347534247.db2.gz HVDFHOTWLRPFJI-LLVKDONJSA-N 0 3 248.345 3.612 20 30 BHEDHN CCC(C)(C)[C@H](C)NCc1cc(C#N)ccc1F ZINC000590778102 347533947 /nfs/dbraw/zinc/53/39/47/347533947.db2.gz HVDFHOTWLRPFJI-NSHDSACASA-N 0 3 248.345 3.612 20 30 BHEDHN CCC(C)(C)[C@@H](C)NCc1cccc(C#N)c1F ZINC000590778423 347534796 /nfs/dbraw/zinc/53/47/96/347534796.db2.gz BENQLRFERRCETP-LLVKDONJSA-N 0 3 248.345 3.612 20 30 BHEDHN CCC(C)(C)[C@H](C)NCc1cccc(C#N)c1F ZINC000590778424 347534572 /nfs/dbraw/zinc/53/45/72/347534572.db2.gz BENQLRFERRCETP-NSHDSACASA-N 0 3 248.345 3.612 20 30 BHEDHN CCCc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000590970381 347597335 /nfs/dbraw/zinc/59/73/35/347597335.db2.gz XOYPYHQBODJBRM-UHFFFAOYSA-N 0 3 244.382 3.669 20 30 BHEDHN CC(C)(CC#N)CNCc1ccccc1C1CC1 ZINC000590970619 347597490 /nfs/dbraw/zinc/59/74/90/347597490.db2.gz AFHNLIGDYUURIA-UHFFFAOYSA-N 0 3 242.366 3.593 20 30 BHEDHN C[C@H](c1cccc(C#N)c1)N(C)CC1=CCCC1 ZINC000592125769 347737939 /nfs/dbraw/zinc/73/79/39/347737939.db2.gz IVPKWZXUKVIOHM-CYBMUJFWSA-N 0 3 240.350 3.661 20 30 BHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CC1=CCCC1 ZINC000592125773 347738999 /nfs/dbraw/zinc/73/89/99/347738999.db2.gz IVPKWZXUKVIOHM-ZDUSSCGKSA-N 0 3 240.350 3.661 20 30 BHEDHN N#CCCCCNC1(c2ccccc2Cl)CC1 ZINC000592137886 397945821 /nfs/dbraw/zinc/94/58/21/397945821.db2.gz QJUWNCCRDURJKD-UHFFFAOYSA-N 0 3 248.757 3.613 20 30 BHEDHN Cc1ccccc1C1(NCCC(C)(C)C#N)CC1 ZINC000592139400 397946077 /nfs/dbraw/zinc/94/60/77/397946077.db2.gz DDPXTDQCKRNCGI-UHFFFAOYSA-N 0 3 242.366 3.514 20 30 BHEDHN N#CCCCNC1(c2cccc(Cl)c2)CCC1 ZINC000592183398 347760229 /nfs/dbraw/zinc/76/02/29/347760229.db2.gz IHMYGTNELVVGSE-UHFFFAOYSA-N 0 3 248.757 3.613 20 30 BHEDHN C=C(C)CN1CCCC[C@H]1c1ccccc1OC ZINC000592332099 347767891 /nfs/dbraw/zinc/76/78/91/347767891.db2.gz RAVZIYDBEYAORU-HNNXBMFYSA-N 0 3 245.366 3.798 20 30 BHEDHN C=C(C)CN1CCCC[C@@H]1c1ccccc1OC ZINC000592332100 347767819 /nfs/dbraw/zinc/76/78/19/347767819.db2.gz RAVZIYDBEYAORU-OAHLLOKOSA-N 0 3 245.366 3.798 20 30 BHEDHN Cc1sccc1CN1CCC(CCC#N)CC1 ZINC000592517312 347793364 /nfs/dbraw/zinc/79/33/64/347793364.db2.gz AXMLFKWUYYKRQV-UHFFFAOYSA-N 0 3 248.395 3.572 20 30 BHEDHN CC[C@H](NCCC(C)(C)C#N)c1ccccc1F ZINC000593060584 347849070 /nfs/dbraw/zinc/84/90/70/347849070.db2.gz COYPWJRGXQHAFC-AWEZNQCLSA-N 0 3 248.345 3.806 20 30 BHEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000593061129 347848798 /nfs/dbraw/zinc/84/87/98/347848798.db2.gz NPJFTHCZKCNCLA-HUBLWGQQSA-N 0 3 246.329 3.559 20 30 BHEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1F ZINC000593061130 347848568 /nfs/dbraw/zinc/84/85/68/347848568.db2.gz NPJFTHCZKCNCLA-JMSVASOKSA-N 0 3 246.329 3.559 20 30 BHEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1F ZINC000593061131 347849224 /nfs/dbraw/zinc/84/92/24/347849224.db2.gz NPJFTHCZKCNCLA-XUJVJEKNSA-N 0 3 246.329 3.559 20 30 BHEDHN CC[C@H](N[C@@H](C)CCC#N)c1ccccc1F ZINC000593061574 347849164 /nfs/dbraw/zinc/84/91/64/347849164.db2.gz SQXRCBLZLNUSCE-FZMZJTMJSA-N 0 3 234.318 3.559 20 30 BHEDHN CC[C@H](N[C@H](C)CCC#N)c1ccccc1F ZINC000593061575 347849185 /nfs/dbraw/zinc/84/91/85/347849185.db2.gz SQXRCBLZLNUSCE-RISCZKNCSA-N 0 3 234.318 3.559 20 30 BHEDHN CCC1(CC)CCC(NCC2(C#N)CC2)CC1 ZINC000593622728 347917204 /nfs/dbraw/zinc/91/72/04/347917204.db2.gz TZCRKMAFXDKZPR-UHFFFAOYSA-N 0 3 234.387 3.629 20 30 BHEDHN N#CC1(CN[C@H]2CCC[C@@H](C3CC3)C2)CCCC1 ZINC000593652733 347921395 /nfs/dbraw/zinc/92/13/95/347921395.db2.gz IYPSUDYMJQQBBP-CABCVRRESA-N 0 3 246.398 3.629 20 30 BHEDHN N#CC1(CN[C@H]2CCC[C@H](C3CC3)C2)CCCC1 ZINC000593652734 347921599 /nfs/dbraw/zinc/92/15/99/347921599.db2.gz IYPSUDYMJQQBBP-GJZGRUSLSA-N 0 3 246.398 3.629 20 30 BHEDHN N#CC1(CN[C@@H]2CCC[C@@H](C3CC3)C2)CCCC1 ZINC000593652735 347921582 /nfs/dbraw/zinc/92/15/82/347921582.db2.gz IYPSUDYMJQQBBP-HUUCEWRRSA-N 0 3 246.398 3.629 20 30 BHEDHN N#CC1(CN[C@@H]2CCC[C@H](C3CC3)C2)CCCC1 ZINC000593652736 347921632 /nfs/dbraw/zinc/92/16/32/347921632.db2.gz IYPSUDYMJQQBBP-LSDHHAIUSA-N 0 3 246.398 3.629 20 30 BHEDHN CCCC(CCC)NCC1(C#N)CCCC1 ZINC000593652809 347921647 /nfs/dbraw/zinc/92/16/47/347921647.db2.gz OTZZTTIWLFVEED-UHFFFAOYSA-N 0 3 222.376 3.629 20 30 BHEDHN C=CCC[C@H](CCC)NCC1(C#N)CCCC1 ZINC000593653118 347921409 /nfs/dbraw/zinc/92/14/09/347921409.db2.gz CFKNCKHELNKIOL-AWEZNQCLSA-N 0 3 234.387 3.795 20 30 BHEDHN C=CCC[C@@H](CCC)NCC1(C#N)CCCC1 ZINC000593653119 347921534 /nfs/dbraw/zinc/92/15/34/347921534.db2.gz CFKNCKHELNKIOL-CQSZACIVSA-N 0 3 234.387 3.795 20 30 BHEDHN CC[C@@]1(C)CCC[C@@H]1NCC1(C#N)CCCC1 ZINC000593653303 347921619 /nfs/dbraw/zinc/92/16/19/347921619.db2.gz BZYBXWLNLSRRCG-KBPBESRZSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@@]1(C)CCC[C@H]1NCC1(C#N)CCCC1 ZINC000593653304 347921383 /nfs/dbraw/zinc/92/13/83/347921383.db2.gz BZYBXWLNLSRRCG-KGLIPLIRSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@]1(C)CCC[C@@H]1NCC1(C#N)CCCC1 ZINC000593653305 347921690 /nfs/dbraw/zinc/92/16/90/347921690.db2.gz BZYBXWLNLSRRCG-UONOGXRCSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@]1(C)CCC[C@H]1NCC1(C#N)CCCC1 ZINC000593653306 347921338 /nfs/dbraw/zinc/92/13/38/347921338.db2.gz BZYBXWLNLSRRCG-ZIAGYGMSSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@H](CC1CCCC1)NCC1(C#N)CCCC1 ZINC000593653374 347921359 /nfs/dbraw/zinc/92/13/59/347921359.db2.gz IPQINFKUUKEGFW-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@@H](CC1CCCC1)NCC1(C#N)CCCC1 ZINC000593653375 347921354 /nfs/dbraw/zinc/92/13/54/347921354.db2.gz IPQINFKUUKEGFW-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN CC(C)=CCC[C@H](C)NCC1(C#N)CCCC1 ZINC000593653394 347921456 /nfs/dbraw/zinc/92/14/56/347921456.db2.gz JIXAPIZOISLREH-AWEZNQCLSA-N 0 3 234.387 3.795 20 30 BHEDHN CC(C)=CCC[C@@H](C)NCC1(C#N)CCCC1 ZINC000593653395 347921367 /nfs/dbraw/zinc/92/13/67/347921367.db2.gz JIXAPIZOISLREH-CQSZACIVSA-N 0 3 234.387 3.795 20 30 BHEDHN CCCC[C@@H](CC)NCC1(C#N)CCCC1 ZINC000593653618 347921984 /nfs/dbraw/zinc/92/19/84/347921984.db2.gz SLIBHODXOGURJN-CYBMUJFWSA-N 0 3 222.376 3.629 20 30 BHEDHN CCCC[C@H](CC)NCC1(C#N)CCCC1 ZINC000593653619 347921977 /nfs/dbraw/zinc/92/19/77/347921977.db2.gz SLIBHODXOGURJN-ZDUSSCGKSA-N 0 3 222.376 3.629 20 30 BHEDHN C=CCCCC[C@H](C)NCC1(C#N)CCCC1 ZINC000593654477 347922386 /nfs/dbraw/zinc/92/23/86/347922386.db2.gz CSWKNOGVUMIHPA-AWEZNQCLSA-N 0 3 234.387 3.795 20 30 BHEDHN C=CCCCC[C@@H](C)NCC1(C#N)CCCC1 ZINC000593654478 347922087 /nfs/dbraw/zinc/92/20/87/347922087.db2.gz CSWKNOGVUMIHPA-CQSZACIVSA-N 0 3 234.387 3.795 20 30 BHEDHN CC1=C[C@H](C)C[C@@H](CNCC2(C#N)CCCC2)C1 ZINC000593654520 347922310 /nfs/dbraw/zinc/92/23/10/347922310.db2.gz FMBBFLFOHIYVDL-DZGCQCFKSA-N 0 3 246.398 3.652 20 30 BHEDHN CC1=C[C@@H](C)C[C@H](CNCC2(C#N)CCCC2)C1 ZINC000593654521 347921951 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222.376 3.629 20 30 BHEDHN CCC[C@H](CC)NCC1(C#N)CCCCC1 ZINC000595090669 348191280 /nfs/dbraw/zinc/19/12/80/348191280.db2.gz KPJDMJZVFMUWEL-ZDUSSCGKSA-N 0 3 222.376 3.629 20 30 BHEDHN CCC(C)(C)[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595090934 348191237 /nfs/dbraw/zinc/19/12/37/348191237.db2.gz LDOYACWLYFJZFE-CYBMUJFWSA-N 0 3 236.403 3.875 20 30 BHEDHN CCC(C)(C)[C@H](C)NCC1(C#N)CCCCC1 ZINC000595090935 348191289 /nfs/dbraw/zinc/19/12/89/348191289.db2.gz LDOYACWLYFJZFE-ZDUSSCGKSA-N 0 3 236.403 3.875 20 30 BHEDHN CC[C@H]1CCC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595090939 348191083 /nfs/dbraw/zinc/19/10/83/348191083.db2.gz LEYDWWFVUHMBSJ-KBPBESRZSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@@H]1CCC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595090941 348190999 /nfs/dbraw/zinc/19/09/99/348190999.db2.gz LEYDWWFVUHMBSJ-KGLIPLIRSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@H]1CCC[C@H]1NCC1(C#N)CCCCC1 ZINC000595090943 348191827 /nfs/dbraw/zinc/19/18/27/348191827.db2.gz LEYDWWFVUHMBSJ-UONOGXRCSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@@H]1CCC[C@H]1NCC1(C#N)CCCCC1 ZINC000595090944 348192019 /nfs/dbraw/zinc/19/20/19/348192019.db2.gz LEYDWWFVUHMBSJ-ZIAGYGMSSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@H](NCC1(C#N)CCCCC1)C1CCC1 ZINC000595091242 348192169 /nfs/dbraw/zinc/19/21/69/348192169.db2.gz ONDWTEXXLZWCIY-AWEZNQCLSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@@H](NCC1(C#N)CCCCC1)C1CCC1 ZINC000595091243 348191600 /nfs/dbraw/zinc/19/16/00/348191600.db2.gz ONDWTEXXLZWCIY-CQSZACIVSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@]12C[C@H]1CCC[C@@H]2NCC1(C#N)CCCCC1 ZINC000595091394 348192129 /nfs/dbraw/zinc/19/21/29/348192129.db2.gz QAXYURPHCVQJQA-ILXRZTDVSA-N 0 3 246.398 3.629 20 30 BHEDHN C[C@]12C[C@H]1CCC[C@H]2NCC1(C#N)CCCCC1 ZINC000595091395 348192055 /nfs/dbraw/zinc/19/20/55/348192055.db2.gz QAXYURPHCVQJQA-KFWWJZLASA-N 0 3 246.398 3.629 20 30 BHEDHN C=CCC[C@H](NCC1(C#N)CCCCC1)C1CC1 ZINC000595091461 348191977 /nfs/dbraw/zinc/19/19/77/348191977.db2.gz QXEFNGPWRNDTAH-HNNXBMFYSA-N 0 3 246.398 3.795 20 30 BHEDHN C=CCC[C@@H](NCC1(C#N)CCCCC1)C1CC1 ZINC000595091462 348192144 /nfs/dbraw/zinc/19/21/44/348192144.db2.gz QXEFNGPWRNDTAH-OAHLLOKOSA-N 0 3 246.398 3.795 20 30 BHEDHN CC1(C)CCC[C@H]1NCC1(C#N)CCCCC1 ZINC000595091605 348192160 /nfs/dbraw/zinc/19/21/60/348192160.db2.gz RZPUPCCABRIKCM-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN CC1(C)CCC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595091606 348191629 /nfs/dbraw/zinc/19/16/29/348191629.db2.gz RZPUPCCABRIKCM-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN N#CC1(CN[C@H]2CC[C@@H]2C2CCC2)CCCCC1 ZINC000595091615 348192150 /nfs/dbraw/zinc/19/21/50/348192150.db2.gz SBUBCCKYFXWRGV-CABCVRRESA-N 0 3 246.398 3.629 20 30 BHEDHN N#CC1(CN[C@H]2CC[C@H]2C2CCC2)CCCCC1 ZINC000595091616 348191678 /nfs/dbraw/zinc/19/16/78/348191678.db2.gz SBUBCCKYFXWRGV-GJZGRUSLSA-N 0 3 246.398 3.629 20 30 BHEDHN N#CC1(CN[C@@H]2CC[C@@H]2C2CCC2)CCCCC1 ZINC000595091617 348191803 /nfs/dbraw/zinc/19/18/03/348191803.db2.gz SBUBCCKYFXWRGV-HUUCEWRRSA-N 0 3 246.398 3.629 20 30 BHEDHN N#CC1(CN[C@@H]2CC[C@H]2C2CCC2)CCCCC1 ZINC000595091618 348191788 /nfs/dbraw/zinc/19/17/88/348191788.db2.gz SBUBCCKYFXWRGV-LSDHHAIUSA-N 0 3 246.398 3.629 20 30 BHEDHN N#CC1(CN[C@H]2CCCC23CCC3)CCCCC1 ZINC000595091629 348191866 /nfs/dbraw/zinc/19/18/66/348191866.db2.gz SFDRQVQAHCDBGJ-AWEZNQCLSA-N 0 3 246.398 3.773 20 30 BHEDHN N#CC1(CN[C@@H]2CCCC23CCC3)CCCCC1 ZINC000595091630 348191610 /nfs/dbraw/zinc/19/16/10/348191610.db2.gz SFDRQVQAHCDBGJ-CQSZACIVSA-N 0 3 246.398 3.773 20 30 BHEDHN C[C@@H](NCC1(C#N)CCCCC1)C1CCCC1 ZINC000595092070 348192646 /nfs/dbraw/zinc/19/26/46/348192646.db2.gz VZLKRRRNPJWGHO-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@H](NCC1(C#N)CCCCC1)C1CCCC1 ZINC000595092071 348193067 /nfs/dbraw/zinc/19/30/67/348193067.db2.gz VZLKRRRNPJWGHO-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN C=CC[C@H](C)[C@H](C)NCC1(C#N)CCCCC1 ZINC000595092130 348192866 /nfs/dbraw/zinc/19/28/66/348192866.db2.gz XMGQJKBCFOJZLC-KBPBESRZSA-N 0 3 234.387 3.651 20 30 BHEDHN C=CC[C@@H](C)[C@H](C)NCC1(C#N)CCCCC1 ZINC000595092131 348192886 /nfs/dbraw/zinc/19/28/86/348192886.db2.gz XMGQJKBCFOJZLC-KGLIPLIRSA-N 0 3 234.387 3.651 20 30 BHEDHN C=CC[C@H](C)[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595092132 348192961 /nfs/dbraw/zinc/19/29/61/348192961.db2.gz XMGQJKBCFOJZLC-UONOGXRCSA-N 0 3 234.387 3.651 20 30 BHEDHN C=CC[C@@H](C)[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595092133 348192684 /nfs/dbraw/zinc/19/26/84/348192684.db2.gz XMGQJKBCFOJZLC-ZIAGYGMSSA-N 0 3 234.387 3.651 20 30 BHEDHN C=CCC[C@H](CC)NCC1(C#N)CCCCC1 ZINC000595092136 348193057 /nfs/dbraw/zinc/19/30/57/348193057.db2.gz XQLVLRFMRZRUJC-AWEZNQCLSA-N 0 3 234.387 3.795 20 30 BHEDHN C=CCC[C@@H](CC)NCC1(C#N)CCCCC1 ZINC000595092137 348192753 /nfs/dbraw/zinc/19/27/53/348192753.db2.gz XQLVLRFMRZRUJC-CQSZACIVSA-N 0 3 234.387 3.795 20 30 BHEDHN N#CC1(CN[C@H]2CCC23CCCC3)CCCCC1 ZINC000595092219 348192735 /nfs/dbraw/zinc/19/27/35/348192735.db2.gz ZLBWRYKBHJJHMN-AWEZNQCLSA-N 0 3 246.398 3.773 20 30 BHEDHN N#CC1(CN[C@@H]2CCC23CCCC3)CCCCC1 ZINC000595092220 348192855 /nfs/dbraw/zinc/19/28/55/348192855.db2.gz ZLBWRYKBHJJHMN-CQSZACIVSA-N 0 3 246.398 3.773 20 30 BHEDHN CCCC[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595101567 348195306 /nfs/dbraw/zinc/19/53/06/348195306.db2.gz WZCFTGGTGQXVME-CYBMUJFWSA-N 0 3 222.376 3.629 20 30 BHEDHN CCCC[C@H](C)NCC1(C#N)CCCCC1 ZINC000595101568 348195129 /nfs/dbraw/zinc/19/51/29/348195129.db2.gz WZCFTGGTGQXVME-ZDUSSCGKSA-N 0 3 222.376 3.629 20 30 BHEDHN C[C@H]1CCCC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595101937 348195973 /nfs/dbraw/zinc/19/59/73/348195973.db2.gz ZUZSWIMKCJBKAJ-KBPBESRZSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@@H]1CCCC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595101938 348195843 /nfs/dbraw/zinc/19/58/43/348195843.db2.gz ZUZSWIMKCJBKAJ-KGLIPLIRSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@H]1CCCC[C@H]1NCC1(C#N)CCCCC1 ZINC000595101939 348195954 /nfs/dbraw/zinc/19/59/54/348195954.db2.gz ZUZSWIMKCJBKAJ-UONOGXRCSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@@H]1CCCC[C@H]1NCC1(C#N)CCCCC1 ZINC000595101940 348195932 /nfs/dbraw/zinc/19/59/32/348195932.db2.gz ZUZSWIMKCJBKAJ-ZIAGYGMSSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@@H](N[C@@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000595102148 348196219 /nfs/dbraw/zinc/19/62/19/348196219.db2.gz KNRHBHJUTLDZOC-BMIGLBTASA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@H](N[C@@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000595102149 348196011 /nfs/dbraw/zinc/19/60/11/348196011.db2.gz KNRHBHJUTLDZOC-BONVTDFDSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000595102150 348195827 /nfs/dbraw/zinc/19/58/27/348195827.db2.gz KNRHBHJUTLDZOC-MEBBXXQBSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@H](N[C@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000595102151 348196192 /nfs/dbraw/zinc/19/61/92/348196192.db2.gz KNRHBHJUTLDZOC-ZUZCIYMTSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@@]1(C)CC1(C)C)c1ccc(C#N)cc1F ZINC000595105909 348196510 /nfs/dbraw/zinc/19/65/10/348196510.db2.gz UHAOMDGJSLKTGR-BMIGLBTASA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@H](N[C@@]1(C)CC1(C)C)c1ccc(C#N)cc1F ZINC000595105911 348196815 /nfs/dbraw/zinc/19/68/15/348196815.db2.gz UHAOMDGJSLKTGR-BONVTDFDSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@]1(C)CC1(C)C)c1ccc(C#N)cc1F ZINC000595105912 348196985 /nfs/dbraw/zinc/19/69/85/348196985.db2.gz UHAOMDGJSLKTGR-MEBBXXQBSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@H](N[C@]1(C)CC1(C)C)c1ccc(C#N)cc1F ZINC000595105913 348196541 /nfs/dbraw/zinc/19/65/41/348196541.db2.gz UHAOMDGJSLKTGR-ZUZCIYMTSA-N 0 3 246.329 3.537 20 30 BHEDHN CC(C)=CCCN(CCC#N)CC(C)(C)C ZINC000595329918 348227967 /nfs/dbraw/zinc/22/79/67/348227967.db2.gz YMYAXJTVEASSCJ-UHFFFAOYSA-N 0 3 222.376 3.604 20 30 BHEDHN CCC(CC)CN(CCC#N)CC1CC=CC1 ZINC000595349148 348237186 /nfs/dbraw/zinc/23/71/86/348237186.db2.gz ZIZDCMCXJRAWJZ-UHFFFAOYSA-N 0 3 234.387 3.604 20 30 BHEDHN CC(C)=CCCN(CCC#N)CCC(C)C ZINC000595349157 348237196 /nfs/dbraw/zinc/23/71/96/348237196.db2.gz ZODNEAGRWLPKLY-UHFFFAOYSA-N 0 3 222.376 3.604 20 30 BHEDHN CC(C)(C)N(CCCC#N)Cc1ccsc1 ZINC000595600783 348295576 /nfs/dbraw/zinc/29/55/76/348295576.db2.gz JGHGTFMWWLSDLC-UHFFFAOYSA-N 0 3 236.384 3.652 20 30 BHEDHN Cc1cccc([C@@H](C)N2CCC[C@@H](CC#N)C2)c1 ZINC000595617297 348289972 /nfs/dbraw/zinc/28/99/72/348289972.db2.gz YDJOKQKJRIZODT-CABCVRRESA-N 0 3 242.366 3.682 20 30 BHEDHN Cc1cccc([C@H](C)N2CCC[C@@H](CC#N)C2)c1 ZINC000595617298 348289653 /nfs/dbraw/zinc/28/96/53/348289653.db2.gz YDJOKQKJRIZODT-GJZGRUSLSA-N 0 3 242.366 3.682 20 30 BHEDHN Cc1cccc([C@@H](C)N2CCC[C@H](CC#N)C2)c1 ZINC000595617299 348289686 /nfs/dbraw/zinc/28/96/86/348289686.db2.gz YDJOKQKJRIZODT-HUUCEWRRSA-N 0 3 242.366 3.682 20 30 BHEDHN Cc1cccc([C@H](C)N2CCC[C@H](CC#N)C2)c1 ZINC000595617301 348289714 /nfs/dbraw/zinc/28/97/14/348289714.db2.gz YDJOKQKJRIZODT-LSDHHAIUSA-N 0 3 242.366 3.682 20 30 BHEDHN CCC(C)(C)[C@@H](C)NCc1cccc(F)c1C#N ZINC000595641189 348304251 /nfs/dbraw/zinc/30/42/51/348304251.db2.gz DMQWVEXZPZXHJO-LLVKDONJSA-N 0 3 248.345 3.612 20 30 BHEDHN CCC(C)(C)[C@H](C)NCc1cccc(F)c1C#N ZINC000595641190 348304193 /nfs/dbraw/zinc/30/41/93/348304193.db2.gz DMQWVEXZPZXHJO-NSHDSACASA-N 0 3 248.345 3.612 20 30 BHEDHN CC(C)[C@H](N[C@H](C)CCC#N)c1ccccc1F ZINC000595692486 348316468 /nfs/dbraw/zinc/31/64/68/348316468.db2.gz NOPSISZMJVKZAO-DOMZBBRYSA-N 0 3 248.345 3.805 20 30 BHEDHN CC(C)[C@@H](N[C@H](C)CCC#N)c1ccccc1F ZINC000595692493 348316588 /nfs/dbraw/zinc/31/65/88/348316588.db2.gz NOPSISZMJVKZAO-IUODEOHRSA-N 0 3 248.345 3.805 20 30 BHEDHN CC(C)[C@@H](N[C@@H](C)CCC#N)c1ccccc1F ZINC000595692495 348316382 /nfs/dbraw/zinc/31/63/82/348316382.db2.gz NOPSISZMJVKZAO-SWLSCSKDSA-N 0 3 248.345 3.805 20 30 BHEDHN CC(C)[C@H](N[C@@H](C)CCC#N)c1ccccc1F ZINC000595692498 348316578 /nfs/dbraw/zinc/31/65/78/348316578.db2.gz NOPSISZMJVKZAO-WFASDCNBSA-N 0 3 248.345 3.805 20 30 BHEDHN CCCN(Cc1ccccc1F)[C@H](C)CCC#N ZINC000595782981 348344736 /nfs/dbraw/zinc/34/47/36/348344736.db2.gz LFHGLRRIVXUBJA-CYBMUJFWSA-N 0 3 248.345 3.730 20 30 BHEDHN CCCN(Cc1ccccc1F)[C@@H](C)CCC#N ZINC000595782983 348345291 /nfs/dbraw/zinc/34/52/91/348345291.db2.gz LFHGLRRIVXUBJA-ZDUSSCGKSA-N 0 3 248.345 3.730 20 30 BHEDHN CCCCC[C@H]1CCCCN1CC1(C#N)CC1 ZINC000595873231 348386986 /nfs/dbraw/zinc/38/69/86/348386986.db2.gz ZFFGPTCTVFJVQP-AWEZNQCLSA-N 0 3 234.387 3.725 20 30 BHEDHN CCCCC[C@@H]1CCCCN1CC1(C#N)CC1 ZINC000595873232 348387206 /nfs/dbraw/zinc/38/72/06/348387206.db2.gz ZFFGPTCTVFJVQP-CQSZACIVSA-N 0 3 234.387 3.725 20 30 BHEDHN N#CC1(CN2CCC[C@H](C3CCCCC3)C2)CC1 ZINC000595880822 348387739 /nfs/dbraw/zinc/38/77/39/348387739.db2.gz PEFYOWQNWUGSJH-HNNXBMFYSA-N 0 3 246.398 3.582 20 30 BHEDHN N#CC1(CN2CCC[C@@H](C3CCCCC3)C2)CC1 ZINC000595880831 348387879 /nfs/dbraw/zinc/38/78/79/348387879.db2.gz PEFYOWQNWUGSJH-OAHLLOKOSA-N 0 3 246.398 3.582 20 30 BHEDHN CC(C)c1cccc(CNCC(C)(C)CC#N)c1 ZINC000596053053 348434054 /nfs/dbraw/zinc/43/40/54/348434054.db2.gz ABQCVTRQTOMXPP-UHFFFAOYSA-N 0 3 244.382 3.839 20 30 BHEDHN CC(C)c1cccc(CNCC2(CC#N)CC2)c1 ZINC000596053424 348433781 /nfs/dbraw/zinc/43/37/81/348433781.db2.gz DUKKPGNBSDAUMW-UHFFFAOYSA-N 0 3 242.366 3.593 20 30 BHEDHN CC[C@H](CC#N)NC1CCC(C2CCC2)CC1 ZINC000597086924 348655872 /nfs/dbraw/zinc/65/58/72/348655872.db2.gz OQXWBFZGBQPOAQ-SHARSMKWSA-N 0 3 234.387 3.627 20 30 BHEDHN CC[C@@H](CC#N)NC1CCC(C2CCC2)CC1 ZINC000597086925 348656282 /nfs/dbraw/zinc/65/62/82/348656282.db2.gz OQXWBFZGBQPOAQ-SLTAFYQDSA-N 0 3 234.387 3.627 20 30 BHEDHN N#CC1(CNC2CCC(C3CCC3)CC2)CCC1 ZINC000597152761 348665305 /nfs/dbraw/zinc/66/53/05/348665305.db2.gz DDYCWQKDDUDKSH-UHFFFAOYSA-N 0 3 246.398 3.629 20 30 BHEDHN CC[C@H]1CCC[C@H](NCC2(C#N)CCC2)CC1 ZINC000597153964 348665341 /nfs/dbraw/zinc/66/53/41/348665341.db2.gz MFSBYKHZJOUMQQ-KBPBESRZSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@@H]1CCC[C@H](NCC2(C#N)CCC2)CC1 ZINC000597153965 348665196 /nfs/dbraw/zinc/66/51/96/348665196.db2.gz MFSBYKHZJOUMQQ-KGLIPLIRSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@H]1CCC[C@@H](NCC2(C#N)CCC2)CC1 ZINC000597153966 348665516 /nfs/dbraw/zinc/66/55/16/348665516.db2.gz MFSBYKHZJOUMQQ-UONOGXRCSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@@H]1CCC[C@@H](NCC2(C#N)CCC2)CC1 ZINC000597153967 348665450 /nfs/dbraw/zinc/66/54/50/348665450.db2.gz MFSBYKHZJOUMQQ-ZIAGYGMSSA-N 0 3 234.387 3.629 20 30 BHEDHN CC1(C)CCC[C@@H](NCC2(C#N)CCC2)CC1 ZINC000597154896 348666054 /nfs/dbraw/zinc/66/60/54/348666054.db2.gz SDAGBDNGVGNYEG-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN CC1(C)CCC[C@H](NCC2(C#N)CCC2)CC1 ZINC000597154897 348666237 /nfs/dbraw/zinc/66/62/37/348666237.db2.gz SDAGBDNGVGNYEG-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN CC(C)=CCC[C@H](C)CCN1CC(CC#N)C1 ZINC000597202725 348676195 /nfs/dbraw/zinc/67/61/95/348676195.db2.gz AZKNPXHVFUIHBY-AWEZNQCLSA-N 0 3 234.387 3.604 20 30 BHEDHN CC(C)=CCC[C@@H](C)CCN1CC(CC#N)C1 ZINC000597202726 348676429 /nfs/dbraw/zinc/67/64/29/348676429.db2.gz AZKNPXHVFUIHBY-CQSZACIVSA-N 0 3 234.387 3.604 20 30 BHEDHN CCC1(CC)CCCN(Cc2ccc(C#N)o2)C1 ZINC000597208022 348679265 /nfs/dbraw/zinc/67/92/65/348679265.db2.gz JLRZZJRMOQPUEH-UHFFFAOYSA-N 0 3 246.354 3.553 20 30 BHEDHN CC1=CC[C@H](NCC2(C#N)CCCCC2)CC1 ZINC000597226745 348695785 /nfs/dbraw/zinc/69/57/85/348695785.db2.gz XXOYBBKRVNVEMH-AWEZNQCLSA-N 0 3 232.371 3.549 20 30 BHEDHN CC1=CC[C@@H](NCC2(C#N)CCCCC2)CC1 ZINC000597226746 348696202 /nfs/dbraw/zinc/69/62/02/348696202.db2.gz XXOYBBKRVNVEMH-CQSZACIVSA-N 0 3 232.371 3.549 20 30 BHEDHN CC(C)c1cccc([C@@H](C)NCCCC#N)c1 ZINC000599045907 349088759 /nfs/dbraw/zinc/08/87/59/349088759.db2.gz UBBJOEGRZQZWSR-CYBMUJFWSA-N 0 3 230.355 3.764 20 30 BHEDHN CC(C)c1cccc([C@H](C)NCCCC#N)c1 ZINC000599045908 349088984 /nfs/dbraw/zinc/08/89/84/349088984.db2.gz UBBJOEGRZQZWSR-ZDUSSCGKSA-N 0 3 230.355 3.764 20 30 BHEDHN CCC[C@H](C)CCCN1CCC(C)(C#N)CC1 ZINC000599365515 349160622 /nfs/dbraw/zinc/16/06/22/349160622.db2.gz DVBSBTRPJWQKNB-AWEZNQCLSA-N 0 3 236.403 3.828 20 30 BHEDHN CCC[C@@H](C)CCCN1CCC(C)(C#N)CC1 ZINC000599365516 349160969 /nfs/dbraw/zinc/16/09/69/349160969.db2.gz DVBSBTRPJWQKNB-CQSZACIVSA-N 0 3 236.403 3.828 20 30 BHEDHN C=CC1CCN(Cc2ccccc2Cl)CC1 ZINC000600681570 344358721 /nfs/dbraw/zinc/35/87/21/344358721.db2.gz TXJJYFKIRCTZBO-UHFFFAOYSA-N 0 3 235.758 3.738 20 30 BHEDHN C=CC1CCN([C@H](C)c2ccccc2F)CC1 ZINC000600681578 344358459 /nfs/dbraw/zinc/35/84/59/344358459.db2.gz XHDNEQZHIBEESN-GFCCVEGCSA-N 0 3 233.330 3.785 20 30 BHEDHN C=CC1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000600681579 344358684 /nfs/dbraw/zinc/35/86/84/344358684.db2.gz XHDNEQZHIBEESN-LBPRGKRZSA-N 0 3 233.330 3.785 20 30 BHEDHN C=CC1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000600683174 344358566 /nfs/dbraw/zinc/35/85/66/344358566.db2.gz OLJPDHTZFJEJHZ-GFCCVEGCSA-N 0 3 233.330 3.785 20 30 BHEDHN C=CC1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000600683177 344358774 /nfs/dbraw/zinc/35/87/74/344358774.db2.gz OLJPDHTZFJEJHZ-LBPRGKRZSA-N 0 3 233.330 3.785 20 30 BHEDHN Cc1cc(C)c(/C=C\CNCCCC#N)c(C)c1 ZINC000601113379 346144759 /nfs/dbraw/zinc/14/47/59/346144759.db2.gz LXEYOTQAYXTJAU-SREVYHEPSA-N 0 3 242.366 3.518 20 30 BHEDHN C[C@@H](NCCCC#N)c1ccc(C2CCC2)cc1 ZINC000601277377 347140152 /nfs/dbraw/zinc/14/01/52/347140152.db2.gz WANQEGOMOOLJAH-CYBMUJFWSA-N 0 3 242.366 3.908 20 30 BHEDHN C[C@H](NCCCC#N)c1ccc(C2CCC2)cc1 ZINC000601277382 347140331 /nfs/dbraw/zinc/14/03/31/347140331.db2.gz WANQEGOMOOLJAH-ZDUSSCGKSA-N 0 3 242.366 3.908 20 30 BHEDHN Cc1scc(CN[C@@H]2CCC[C@H](C#N)C2)c1C ZINC000601292826 347164666 /nfs/dbraw/zinc/16/46/66/347164666.db2.gz UOSTTYLRHWPIJU-GXTWGEPZSA-N 0 3 248.395 3.537 20 30 BHEDHN Cc1scc(CN[C@H]2CCC[C@H](C#N)C2)c1C ZINC000601292827 347164952 /nfs/dbraw/zinc/16/49/52/347164952.db2.gz UOSTTYLRHWPIJU-JSGCOSHPSA-N 0 3 248.395 3.537 20 30 BHEDHN Cc1scc(CN[C@H]2CCC[C@@H](C#N)C2)c1C ZINC000601292828 347164851 /nfs/dbraw/zinc/16/48/51/347164851.db2.gz UOSTTYLRHWPIJU-OCCSQVGLSA-N 0 3 248.395 3.537 20 30 BHEDHN Cc1scc(CN[C@@H]2CCC[C@@H](C#N)C2)c1C ZINC000601292829 347164764 /nfs/dbraw/zinc/16/47/64/347164764.db2.gz UOSTTYLRHWPIJU-TZMCWYRMSA-N 0 3 248.395 3.537 20 30 BHEDHN C[C@H](CCC#N)CN1CCc2sccc2[C@@H]1C ZINC000602434830 349538011 /nfs/dbraw/zinc/53/80/11/349538011.db2.gz FPXAQPVOMCPFFP-NEPJUHHUSA-N 0 3 248.395 3.607 20 30 BHEDHN C[C@@H](CCC#N)CN1CCc2sccc2[C@H]1C ZINC000602434852 349537537 /nfs/dbraw/zinc/53/75/37/349537537.db2.gz FPXAQPVOMCPFFP-NWDGAFQWSA-N 0 3 248.395 3.607 20 30 BHEDHN C[C@@H](CCC#N)CN1CCc2sccc2[C@@H]1C ZINC000602434853 349537551 /nfs/dbraw/zinc/53/75/51/349537551.db2.gz FPXAQPVOMCPFFP-RYUDHWBXSA-N 0 3 248.395 3.607 20 30 BHEDHN C[C@H](CCC#N)CN1CCc2sccc2[C@H]1C ZINC000602434854 349538601 /nfs/dbraw/zinc/53/86/01/349538601.db2.gz FPXAQPVOMCPFFP-VXGBXAGGSA-N 0 3 248.395 3.607 20 30 BHEDHN C=CCN(Cc1cccs1)C[C@H](C)CCC#N ZINC000602434990 349539111 /nfs/dbraw/zinc/53/91/11/349539111.db2.gz YMQLTKWJLRNUMX-CYBMUJFWSA-N 0 3 248.395 3.676 20 30 BHEDHN C=CCN(Cc1cccs1)C[C@@H](C)CCC#N ZINC000602434991 349538762 /nfs/dbraw/zinc/53/87/62/349538762.db2.gz YMQLTKWJLRNUMX-ZDUSSCGKSA-N 0 3 248.395 3.676 20 30 BHEDHN C[C@H](CCC#N)CN(C)[C@H](C)c1ccccc1F ZINC000602442052 349527896 /nfs/dbraw/zinc/52/78/96/349527896.db2.gz SNIWKZGZBQSFAZ-CHWSQXEVSA-N 0 3 248.345 3.758 20 30 BHEDHN C[C@H](CCC#N)CN(C)[C@@H](C)c1ccccc1F ZINC000602442053 349528553 /nfs/dbraw/zinc/52/85/53/349528553.db2.gz SNIWKZGZBQSFAZ-OLZOCXBDSA-N 0 3 248.345 3.758 20 30 BHEDHN C[C@H](c1ccccc1F)N(C)C[C@@H](C)CCC#N ZINC000602442054 349528398 /nfs/dbraw/zinc/52/83/98/349528398.db2.gz SNIWKZGZBQSFAZ-QWHCGFSZSA-N 0 3 248.345 3.758 20 30 BHEDHN C[C@@H](CCC#N)CN(C)[C@@H](C)c1ccccc1F ZINC000602442055 349528018 /nfs/dbraw/zinc/52/80/18/349528018.db2.gz SNIWKZGZBQSFAZ-STQMWFEESA-N 0 3 248.345 3.758 20 30 BHEDHN CCC(CC)CN(CCC#N)C[C@@H](C)CCC#N ZINC000602466673 349539792 /nfs/dbraw/zinc/53/97/92/349539792.db2.gz ZERGBUMUGPNTGO-AWEZNQCLSA-N 0 3 249.402 3.578 20 30 BHEDHN CCC(CC)CN(CCC#N)C[C@H](C)CCC#N ZINC000602466676 349540202 /nfs/dbraw/zinc/54/02/02/349540202.db2.gz ZERGBUMUGPNTGO-CQSZACIVSA-N 0 3 249.402 3.578 20 30 BHEDHN C[C@H](CCC#N)CN1CC[C@H]1c1cccc(F)c1 ZINC000602485011 349567478 /nfs/dbraw/zinc/56/74/78/349567478.db2.gz MBZKOXVJIKXLDX-DOMZBBRYSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@H](CCC#N)CN1CC[C@@H]1c1cccc(F)c1 ZINC000602485012 349567327 /nfs/dbraw/zinc/56/73/27/349567327.db2.gz MBZKOXVJIKXLDX-IUODEOHRSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@@H](CCC#N)CN1CC[C@@H]1c1cccc(F)c1 ZINC000602485013 349567504 /nfs/dbraw/zinc/56/75/04/349567504.db2.gz MBZKOXVJIKXLDX-SWLSCSKDSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@@H](CCC#N)CN1CC[C@H]1c1cccc(F)c1 ZINC000602485014 349567509 /nfs/dbraw/zinc/56/75/09/349567509.db2.gz MBZKOXVJIKXLDX-WFASDCNBSA-N 0 3 246.329 3.512 20 30 BHEDHN CC[C@@H](CC#N)NC1CCC(=C2CCC2)CC1 ZINC000602611886 349635424 /nfs/dbraw/zinc/63/54/24/349635424.db2.gz MKIFHSGCDAZSIP-AWEZNQCLSA-N 0 3 232.371 3.691 20 30 BHEDHN CC[C@H](CC#N)NC1CCC(=C2CCC2)CC1 ZINC000602611887 349635644 /nfs/dbraw/zinc/63/56/44/349635644.db2.gz MKIFHSGCDAZSIP-CQSZACIVSA-N 0 3 232.371 3.691 20 30 BHEDHN CC[C@H](CC#N)N[C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000602613215 349636662 /nfs/dbraw/zinc/63/66/62/349636662.db2.gz UENTYVYIEZLDLW-FVCCEPFGSA-N 0 3 248.395 3.522 20 30 BHEDHN CC[C@@H](CC#N)N[C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000602613217 349636465 /nfs/dbraw/zinc/63/64/65/349636465.db2.gz UENTYVYIEZLDLW-MROQNXINSA-N 0 3 248.395 3.522 20 30 BHEDHN CC[C@H](CC#N)N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000602613218 349636229 /nfs/dbraw/zinc/63/62/29/349636229.db2.gz UENTYVYIEZLDLW-QNWHQSFQSA-N 0 3 248.395 3.522 20 30 BHEDHN CC[C@@H](CC#N)N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000602613220 349636732 /nfs/dbraw/zinc/63/67/32/349636732.db2.gz UENTYVYIEZLDLW-ZDEQEGDKSA-N 0 3 248.395 3.522 20 30 BHEDHN CC(C)(C#N)CNC1CCC(=C2CCC2)CC1 ZINC000602614197 349637490 /nfs/dbraw/zinc/63/74/90/349637490.db2.gz MMKCXZQXTJMNIT-UHFFFAOYSA-N 0 3 232.371 3.549 20 30 BHEDHN N#CC1(CNC2CCC(=C3CCC3)CC2)CCC1 ZINC000602697078 349693550 /nfs/dbraw/zinc/69/35/50/349693550.db2.gz UIVCKUPWIXDPKV-UHFFFAOYSA-N 0 3 244.382 3.693 20 30 BHEDHN N#CCC1(CN2CCC[C@H]2c2ccccc2)CC1 ZINC000602756937 349732144 /nfs/dbraw/zinc/73/21/44/349732144.db2.gz BBRUOISWAVIWER-HNNXBMFYSA-N 0 3 240.350 3.517 20 30 BHEDHN N#CCC1(CN2CCC[C@@H]2c2ccccc2)CC1 ZINC000602756939 349732133 /nfs/dbraw/zinc/73/21/33/349732133.db2.gz BBRUOISWAVIWER-OAHLLOKOSA-N 0 3 240.350 3.517 20 30 BHEDHN C[C@H](c1ccc(F)cc1)N(C)CC1(CC#N)CC1 ZINC000602756971 349732548 /nfs/dbraw/zinc/73/25/48/349732548.db2.gz BXQHOIDVMALEOK-GFCCVEGCSA-N 0 3 246.329 3.512 20 30 BHEDHN C[C@@H](c1ccc(F)cc1)N(C)CC1(CC#N)CC1 ZINC000602756974 349732053 /nfs/dbraw/zinc/73/20/53/349732053.db2.gz BXQHOIDVMALEOK-LBPRGKRZSA-N 0 3 246.329 3.512 20 30 BHEDHN N#CCC1(CN2CCC[C@@H]2c2cccs2)CC1 ZINC000602757224 349732592 /nfs/dbraw/zinc/73/25/92/349732592.db2.gz SJSMGTGTMWMZDP-GFCCVEGCSA-N 0 3 246.379 3.579 20 30 BHEDHN N#CCC1(CN2CCC[C@H]2c2cccs2)CC1 ZINC000602757225 349732512 /nfs/dbraw/zinc/73/25/12/349732512.db2.gz SJSMGTGTMWMZDP-LBPRGKRZSA-N 0 3 246.379 3.579 20 30 BHEDHN CCN(Cc1ccccc1C)CC1(CC#N)CC1 ZINC000602758926 349732379 /nfs/dbraw/zinc/73/23/79/349732379.db2.gz HYEJXGKTQXIXFP-UHFFFAOYSA-N 0 3 242.366 3.511 20 30 BHEDHN N#CCC1(CN2CCC[C@@H]2c2ccsc2)CC1 ZINC000602763148 349733184 /nfs/dbraw/zinc/73/31/84/349733184.db2.gz NJEYQSFEKRZCGM-CYBMUJFWSA-N 0 3 246.379 3.579 20 30 BHEDHN N#CCC1(CN2CCC[C@H]2c2ccsc2)CC1 ZINC000602763149 349733226 /nfs/dbraw/zinc/73/32/26/349733226.db2.gz NJEYQSFEKRZCGM-ZDUSSCGKSA-N 0 3 246.379 3.579 20 30 BHEDHN Cc1ccc([C@H](C)N(C)CC2(CC#N)CC2)cc1 ZINC000602764247 349734630 /nfs/dbraw/zinc/73/46/30/349734630.db2.gz VNHVMOOJKCZOJI-AWEZNQCLSA-N 0 3 242.366 3.682 20 30 BHEDHN Cc1ccc([C@@H](C)N(C)CC2(CC#N)CC2)cc1 ZINC000602764253 349734884 /nfs/dbraw/zinc/73/48/84/349734884.db2.gz VNHVMOOJKCZOJI-CQSZACIVSA-N 0 3 242.366 3.682 20 30 BHEDHN Cc1ccccc1[C@H](C)N(C)CC1(CC#N)CC1 ZINC000602764267 349734471 /nfs/dbraw/zinc/73/44/71/349734471.db2.gz OQUXHRQJCSFPTN-AWEZNQCLSA-N 0 3 242.366 3.682 20 30 BHEDHN Cc1ccccc1[C@@H](C)N(C)CC1(CC#N)CC1 ZINC000602764269 349734736 /nfs/dbraw/zinc/73/47/36/349734736.db2.gz OQUXHRQJCSFPTN-CQSZACIVSA-N 0 3 242.366 3.682 20 30 BHEDHN Cc1cccc(C(C)(C)NCC2(CC#N)CC2)c1 ZINC000602806961 349769690 /nfs/dbraw/zinc/76/96/90/349769690.db2.gz RCCNDLGNTCSZJS-UHFFFAOYSA-N 0 3 242.366 3.514 20 30 BHEDHN CN(CC1(CC#N)CC1)C(C)(C)c1ccccc1 ZINC000602827076 349765758 /nfs/dbraw/zinc/76/57/58/349765758.db2.gz NXNZAMCDMSVGMD-UHFFFAOYSA-N 0 3 242.366 3.547 20 30 BHEDHN Cc1ccccc1C(C)(C)NCC1(CC#N)CC1 ZINC000602831528 349767775 /nfs/dbraw/zinc/76/77/75/349767775.db2.gz IVRBXCPJISMIIH-UHFFFAOYSA-N 0 3 242.366 3.514 20 30 BHEDHN CN(CCC1=CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602982869 349834914 /nfs/dbraw/zinc/83/49/14/349834914.db2.gz ZJYZSLYOMCLLSR-CABCVRRESA-N 0 3 232.371 3.501 20 30 BHEDHN CN(CCC1=CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602982870 349834755 /nfs/dbraw/zinc/83/47/55/349834755.db2.gz ZJYZSLYOMCLLSR-GJZGRUSLSA-N 0 3 232.371 3.501 20 30 BHEDHN CN(CCC1=CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982871 349835158 /nfs/dbraw/zinc/83/51/58/349835158.db2.gz ZJYZSLYOMCLLSR-HUUCEWRRSA-N 0 3 232.371 3.501 20 30 BHEDHN CN(CCC1=CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602982872 349835425 /nfs/dbraw/zinc/83/54/25/349835425.db2.gz ZJYZSLYOMCLLSR-LSDHHAIUSA-N 0 3 232.371 3.501 20 30 BHEDHN CCC(CC)N(Cc1ccccc1C#N)C1CC1 ZINC000604434787 370040421 /nfs/dbraw/zinc/04/04/21/370040421.db2.gz IWUUSDCEYPQTHD-UHFFFAOYSA-N 0 3 242.366 3.711 20 30 BHEDHN C=CCCCN(C)Cc1ccccc1Cl ZINC000605149630 350258079 /nfs/dbraw/zinc/25/80/79/350258079.db2.gz HCIBSMBHCSZDCW-UHFFFAOYSA-N 0 3 223.747 3.738 20 30 BHEDHN C=CCCCN(C)Cc1ccc(Cl)s1 ZINC000605149646 350258566 /nfs/dbraw/zinc/25/85/66/350258566.db2.gz JQLZEPLLWQKXLI-UHFFFAOYSA-N 0 3 229.776 3.800 20 30 BHEDHN C=CCCCN(CC=C)Cc1cccs1 ZINC000605149692 350258197 /nfs/dbraw/zinc/25/81/97/350258197.db2.gz SXJZQXDYKBDYMT-UHFFFAOYSA-N 0 3 221.369 3.702 20 30 BHEDHN C=CCCCN(Cc1ccccc1F)C1CC1 ZINC000605149697 350258134 /nfs/dbraw/zinc/25/81/34/350258134.db2.gz ULYGHXYWRKCFGE-UHFFFAOYSA-N 0 3 233.330 3.756 20 30 BHEDHN C=CCCCN(Cc1ccc(C)o1)C1CC1 ZINC000605149970 350259397 /nfs/dbraw/zinc/25/93/97/350259397.db2.gz YMIFIWBHGYBLPM-UHFFFAOYSA-N 0 3 219.328 3.519 20 30 BHEDHN C=CCCCN(Cc1ccccc1OC)C1CC1 ZINC000605150038 350259571 /nfs/dbraw/zinc/25/95/71/350259571.db2.gz HGEQUWWEXTXOIK-UHFFFAOYSA-N 0 3 245.366 3.626 20 30 BHEDHN C=C(C)CN1CCC(c2ccccc2F)CC1 ZINC000605575838 346036393 /nfs/dbraw/zinc/03/63/93/346036393.db2.gz GLIMNNZWLIHKDY-UHFFFAOYSA-N 0 3 233.330 3.581 20 30 BHEDHN C=CCCCN(C)c1ccnc2ccccc21 ZINC000605698762 347418551 /nfs/dbraw/zinc/41/85/51/347418551.db2.gz QPFNTRDRHFSYCJ-UHFFFAOYSA-N 0 3 226.323 3.637 20 30 BHEDHN C=CCCCN(C)Cc1ccccc1OC(C)C ZINC000605738749 347432627 /nfs/dbraw/zinc/43/26/27/347432627.db2.gz FNTAUDPRVMXSPE-UHFFFAOYSA-N 0 3 247.382 3.872 20 30 BHEDHN C=CCCCN1CCc2cc(F)ccc2[C@H]1C ZINC000606448755 350338186 /nfs/dbraw/zinc/33/81/86/350338186.db2.gz GEJPIOMQXVLOOL-GFCCVEGCSA-N 0 3 233.330 3.711 20 30 BHEDHN C=CCCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000606448756 350338676 /nfs/dbraw/zinc/33/86/76/350338676.db2.gz GEJPIOMQXVLOOL-LBPRGKRZSA-N 0 3 233.330 3.711 20 30 BHEDHN C=CCCN(CC=C)Cc1ccc(Cl)s1 ZINC000606896365 350621756 /nfs/dbraw/zinc/62/17/56/350621756.db2.gz JIVNCDQURJQKID-UHFFFAOYSA-N 0 3 241.787 3.966 20 30 BHEDHN C=CCCN(CC)Cc1ccc(Cl)s1 ZINC000606896434 350621787 /nfs/dbraw/zinc/62/17/87/350621787.db2.gz OTHCOWRCPXYCKI-UHFFFAOYSA-N 0 3 229.776 3.800 20 30 BHEDHN C=CCCCN1CCc2c(Cl)cccc2C1 ZINC000606897132 350622650 /nfs/dbraw/zinc/62/26/50/350622650.db2.gz FMQLGXRFGQJHMW-UHFFFAOYSA-N 0 3 235.758 3.664 20 30 BHEDHN C=CCCN(CCC)Cc1ccccc1F ZINC000606897483 350622623 /nfs/dbraw/zinc/62/26/23/350622623.db2.gz VRFSGAXBQDQAKW-UHFFFAOYSA-N 0 3 221.319 3.614 20 30 BHEDHN C=CCN1CCCCC[C@H]1c1ccc(CC)o1 ZINC000606899067 350626273 /nfs/dbraw/zinc/62/62/73/350626273.db2.gz GGZULBBETUIYAF-AWEZNQCLSA-N 0 3 233.355 3.945 20 30 BHEDHN C=CCN1CCCCC[C@@H]1c1ccc(CC)o1 ZINC000606899068 350626033 /nfs/dbraw/zinc/62/60/33/350626033.db2.gz GGZULBBETUIYAF-CQSZACIVSA-N 0 3 233.355 3.945 20 30 BHEDHN C=CCCCCCN(C)CCC(F)(F)F ZINC000607153875 351030305 /nfs/dbraw/zinc/03/03/05/351030305.db2.gz DGLDYZYBAMFACD-UHFFFAOYSA-N 0 3 223.282 3.617 20 30 BHEDHN C=C(C)CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000607156001 351032593 /nfs/dbraw/zinc/03/25/93/351032593.db2.gz SINMXGGHZAQKQN-UHFFFAOYSA-N 0 3 229.367 3.844 20 30 BHEDHN CC#CCN(Cc1cccc(Cl)c1)C(C)C ZINC000607726761 342782447 /nfs/dbraw/zinc/78/24/47/342782447.db2.gz GJETUXRVZZANOS-UHFFFAOYSA-N 0 3 235.758 3.574 20 30 BHEDHN CC#CCN(CCCC)[C@@H](C)c1ccc(C)o1 ZINC000607727993 342782936 /nfs/dbraw/zinc/78/29/36/342782936.db2.gz OEHDELMSEMNJDB-AWEZNQCLSA-N 0 3 233.355 3.774 20 30 BHEDHN CC#CCN(CCCC)[C@H](C)c1ccc(C)o1 ZINC000607727994 342782862 /nfs/dbraw/zinc/78/28/62/342782862.db2.gz OEHDELMSEMNJDB-CQSZACIVSA-N 0 3 233.355 3.774 20 30 BHEDHN CC#CCN(Cc1ccccc1)CC(C)(C)C ZINC000607729314 342783915 /nfs/dbraw/zinc/78/39/15/342783915.db2.gz PJKZESAEBXLMPH-UHFFFAOYSA-N 0 3 229.367 3.558 20 30 BHEDHN CC#CCNC(C)(C)c1ccc(C(C)C)cc1 ZINC000607731400 342783194 /nfs/dbraw/zinc/78/31/94/342783194.db2.gz WXZIBGDKRXOFSS-UHFFFAOYSA-N 0 3 229.367 3.658 20 30 BHEDHN CC#CCN1CCCCC[C@H]1c1ccc(C)o1 ZINC000607735337 342784942 /nfs/dbraw/zinc/78/49/42/342784942.db2.gz IJZHSIJKGJQTDJ-AWEZNQCLSA-N 0 3 231.339 3.528 20 30 BHEDHN CC#CCN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000607735338 342784805 /nfs/dbraw/zinc/78/48/05/342784805.db2.gz IJZHSIJKGJQTDJ-CQSZACIVSA-N 0 3 231.339 3.528 20 30 BHEDHN C=CCN1CCCC[C@H]1c1ccc(C)cc1 ZINC000607741547 342786717 /nfs/dbraw/zinc/78/67/17/342786717.db2.gz PFPCYCGHZCSZQT-HNNXBMFYSA-N 0 3 215.340 3.708 20 30 BHEDHN C=CCN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000607741548 342786633 /nfs/dbraw/zinc/78/66/33/342786633.db2.gz PFPCYCGHZCSZQT-OAHLLOKOSA-N 0 3 215.340 3.708 20 30 BHEDHN CCCN(CCCCC#N)Cc1ccccc1F ZINC000608832572 343096296 /nfs/dbraw/zinc/09/62/96/343096296.db2.gz BWRWUPWGTGYLIO-UHFFFAOYSA-N 0 3 248.345 3.732 20 30 BHEDHN CC(C)c1ccc(C(C)(C)NCCCC#N)cc1 ZINC000609358630 343424096 /nfs/dbraw/zinc/42/40/96/343424096.db2.gz PNRAOKZCKHZUDH-UHFFFAOYSA-N 0 3 244.382 3.938 20 30 BHEDHN CC(C)(C)CN(CCC#N)CCC1CCCC1 ZINC000610213428 398037546 /nfs/dbraw/zinc/03/75/46/398037546.db2.gz JKRHDFDUWMSPBF-UHFFFAOYSA-N 0 3 236.403 3.828 20 30 BHEDHN CC(C)CCN(CCC#N)CC1CCCCC1 ZINC000610391946 357908571 /nfs/dbraw/zinc/90/85/71/357908571.db2.gz LJFCGONGCHATPO-UHFFFAOYSA-N 0 3 236.403 3.828 20 30 BHEDHN CC(C)[C@H]1c2ccccc2CCN1CCCC#N ZINC000610788014 358163432 /nfs/dbraw/zinc/16/34/32/358163432.db2.gz GYGWWLUIENPQHZ-INIZCTEOSA-N 0 3 242.366 3.546 20 30 BHEDHN CC(C)[C@@H]1c2ccccc2CCN1CCCC#N ZINC000610788015 358163161 /nfs/dbraw/zinc/16/31/61/358163161.db2.gz GYGWWLUIENPQHZ-MRXNPFEDSA-N 0 3 242.366 3.546 20 30 BHEDHN C[C@@H](CC#N)NCC1CCC(C(C)(C)C)CC1 ZINC000610803538 358181775 /nfs/dbraw/zinc/18/17/75/358181775.db2.gz BYSDRTWBZYUEDQ-HSBZDZAISA-N 0 3 236.403 3.731 20 30 BHEDHN C[C@H](CC#N)NCC1CCC(C(C)(C)C)CC1 ZINC000610803539 358181539 /nfs/dbraw/zinc/18/15/39/358181539.db2.gz BYSDRTWBZYUEDQ-IYXRBSQSSA-N 0 3 236.403 3.731 20 30 BHEDHN CCCC[C@H](CC)NCc1ccc(C#N)cc1F ZINC000610812463 491069156 /nfs/dbraw/zinc/06/91/56/491069156.db2.gz CZIIPPCGSCTYBM-AWEZNQCLSA-N 0 3 248.345 3.756 20 30 BHEDHN CCCC[C@@H](CC)NCc1ccc(C#N)cc1F ZINC000610812464 398071118 /nfs/dbraw/zinc/07/11/18/398071118.db2.gz CZIIPPCGSCTYBM-CQSZACIVSA-N 0 3 248.345 3.756 20 30 BHEDHN N#Cc1csc(CN2C3CCCC2CCC3)c1 ZINC000611274067 359286169 /nfs/dbraw/zinc/28/61/69/359286169.db2.gz LPWABXDJHDQZTA-UHFFFAOYSA-N 0 3 246.379 3.527 20 30 BHEDHN N#Cc1ccc(CN2C3CCCC2CCC3)s1 ZINC000611274155 359287203 /nfs/dbraw/zinc/28/72/03/359287203.db2.gz ZKWWKAWFPZIEND-UHFFFAOYSA-N 0 3 246.379 3.527 20 30 BHEDHN CCCN(CCCC#N)Cc1ccc(C)cc1 ZINC000611565429 359392979 /nfs/dbraw/zinc/39/29/79/359392979.db2.gz CTWDCVHLRUDZCM-UHFFFAOYSA-N 0 3 230.355 3.511 20 30 BHEDHN CCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000611586188 359399199 /nfs/dbraw/zinc/39/91/99/359399199.db2.gz HYSPEOBIBJMOLZ-GHMZBOCLSA-N 0 3 234.318 3.537 20 30 BHEDHN CCC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000611586199 359399347 /nfs/dbraw/zinc/39/93/47/359399347.db2.gz HYSPEOBIBJMOLZ-MNOVXSKESA-N 0 3 234.318 3.537 20 30 BHEDHN CCC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000611586200 359399429 /nfs/dbraw/zinc/39/94/29/359399429.db2.gz HYSPEOBIBJMOLZ-QWRGUYRKSA-N 0 3 234.318 3.537 20 30 BHEDHN CCC[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000611586201 359399225 /nfs/dbraw/zinc/39/92/25/359399225.db2.gz HYSPEOBIBJMOLZ-WDEREUQCSA-N 0 3 234.318 3.537 20 30 BHEDHN C[C@@H](N[C@H](C)C1CCC1)c1ccc(C#N)cc1F ZINC000611589162 487484329 /nfs/dbraw/zinc/48/43/29/487484329.db2.gz UGUINTMODIRGAY-GHMZBOCLSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C1CCC1 ZINC000611589164 487484682 /nfs/dbraw/zinc/48/46/82/487484682.db2.gz UGUINTMODIRGAY-MNOVXSKESA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@H](N[C@@H](C)C1CCC1)c1ccc(C#N)cc1F ZINC000611589166 487484496 /nfs/dbraw/zinc/48/44/96/487484496.db2.gz UGUINTMODIRGAY-QWRGUYRKSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@@H](C)C1CCC1)c1ccc(C#N)cc1F ZINC000611589167 487484704 /nfs/dbraw/zinc/48/47/04/487484704.db2.gz UGUINTMODIRGAY-WDEREUQCSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@]1(C#N)CCCN(CCC2CCCCC2)C1 ZINC000612167651 359717361 /nfs/dbraw/zinc/71/73/61/359717361.db2.gz SPRCOHZGGKRZAU-HNNXBMFYSA-N 0 3 234.387 3.582 20 30 BHEDHN C[C@]1(C#N)CCCN(CCC2CCCCC2)C1 ZINC000612167652 359716847 /nfs/dbraw/zinc/71/68/47/359716847.db2.gz SPRCOHZGGKRZAU-OAHLLOKOSA-N 0 3 234.387 3.582 20 30 BHEDHN C[C@@]1(C#N)CCCN(CC2CCCCCC2)C1 ZINC000612405970 359833958 /nfs/dbraw/zinc/83/39/58/359833958.db2.gz FSKPFMFUXDVKKU-HNNXBMFYSA-N 0 3 234.387 3.582 20 30 BHEDHN C[C@]1(C#N)CCCN(CC2CCCCCC2)C1 ZINC000612405975 359833104 /nfs/dbraw/zinc/83/31/04/359833104.db2.gz FSKPFMFUXDVKKU-OAHLLOKOSA-N 0 3 234.387 3.582 20 30 BHEDHN CC(C)[C@@H]1CC[C@H](NCC(C)(C)C#N)C[C@@H]1C ZINC000612585002 359897071 /nfs/dbraw/zinc/89/70/71/359897071.db2.gz MOVYCFIHESUWLD-IHRRRGAJSA-N 0 3 236.403 3.587 20 30 BHEDHN CC(C)[C@@H]1CC[C@@H](NCC(C)(C)C#N)C[C@H]1C ZINC000612585010 359896887 /nfs/dbraw/zinc/89/68/87/359896887.db2.gz MOVYCFIHESUWLD-MCIONIFRSA-N 0 3 236.403 3.587 20 30 BHEDHN CC(C)[C@@H]1CC[C@@H](NCC(C)(C)C#N)C[C@@H]1C ZINC000612585013 359896769 /nfs/dbraw/zinc/89/67/69/359896769.db2.gz MOVYCFIHESUWLD-MJBXVCDLSA-N 0 3 236.403 3.587 20 30 BHEDHN CC(C)[C@@H]1CC[C@H](NCC(C)(C)C#N)C[C@H]1C ZINC000612585015 359896797 /nfs/dbraw/zinc/89/67/97/359896797.db2.gz MOVYCFIHESUWLD-RDBSUJKOSA-N 0 3 236.403 3.587 20 30 BHEDHN CCCC1CCC(CNCC(C)(C)C#N)CC1 ZINC000612585326 359898235 /nfs/dbraw/zinc/89/82/35/359898235.db2.gz XLSXICPSXBFCMC-UHFFFAOYSA-N 0 3 236.403 3.732 20 30 BHEDHN CCC[C@@H](CNCC(C)(C)C#N)c1ccccc1 ZINC000612585570 359898412 /nfs/dbraw/zinc/89/84/12/359898412.db2.gz MFLZRCDRMZVCOS-HNNXBMFYSA-N 0 3 244.382 3.710 20 30 BHEDHN CCC[C@H](CNCC(C)(C)C#N)c1ccccc1 ZINC000612585571 359897839 /nfs/dbraw/zinc/89/78/39/359897839.db2.gz MFLZRCDRMZVCOS-OAHLLOKOSA-N 0 3 244.382 3.710 20 30 BHEDHN C[C@@H](CNCC(C)(C)C#N)CC1CCCCC1 ZINC000612587943 359900019 /nfs/dbraw/zinc/90/00/19/359900019.db2.gz HGWZHPOWISZRQK-CYBMUJFWSA-N 0 3 236.403 3.732 20 30 BHEDHN C[C@H](CNCC(C)(C)C#N)CC1CCCCC1 ZINC000612587944 359900300 /nfs/dbraw/zinc/90/03/00/359900300.db2.gz HGWZHPOWISZRQK-ZDUSSCGKSA-N 0 3 236.403 3.732 20 30 BHEDHN CCC[C@@H](Cc1ccccc1)NCC(C)(C)C#N ZINC000613145923 387398479 /nfs/dbraw/zinc/39/84/79/387398479.db2.gz QEEJAOVBJWXUPI-HNNXBMFYSA-N 0 3 244.382 3.537 20 30 BHEDHN CCC[C@H](Cc1ccccc1)NCC(C)(C)C#N ZINC000613145924 387398696 /nfs/dbraw/zinc/39/86/96/387398696.db2.gz QEEJAOVBJWXUPI-OAHLLOKOSA-N 0 3 244.382 3.537 20 30 BHEDHN C=C(C)CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000613464474 363368658 /nfs/dbraw/zinc/36/86/58/363368658.db2.gz AEPBTYKIBBYSFF-UHFFFAOYSA-N 0 3 235.758 3.881 20 30 BHEDHN CC(C)CC[C@@H]1CCC[C@@H]1NCC(C)(C)C#N ZINC000613540293 363474468 /nfs/dbraw/zinc/47/44/68/363474468.db2.gz JROVHWLYTNOQTH-KBPBESRZSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)CC[C@H]1CCC[C@@H]1NCC(C)(C)C#N ZINC000613540302 363474598 /nfs/dbraw/zinc/47/45/98/363474598.db2.gz JROVHWLYTNOQTH-KGLIPLIRSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)CC[C@@H]1CCC[C@H]1NCC(C)(C)C#N ZINC000613540303 363474475 /nfs/dbraw/zinc/47/44/75/363474475.db2.gz JROVHWLYTNOQTH-UONOGXRCSA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)CC[C@H]1CCC[C@H]1NCC(C)(C)C#N ZINC000613540305 363474342 /nfs/dbraw/zinc/47/43/42/363474342.db2.gz JROVHWLYTNOQTH-ZIAGYGMSSA-N 0 3 236.403 3.731 20 30 BHEDHN C[C@H](CCC1CCCCC1)NCC(C)(C)C#N ZINC000613540434 363473940 /nfs/dbraw/zinc/47/39/40/363473940.db2.gz ZEZIIBWAHFHCRL-CYBMUJFWSA-N 0 3 236.403 3.875 20 30 BHEDHN C[C@@H](CCC1CCCCC1)NCC(C)(C)C#N ZINC000613540435 363474675 /nfs/dbraw/zinc/47/46/75/363474675.db2.gz ZEZIIBWAHFHCRL-ZDUSSCGKSA-N 0 3 236.403 3.875 20 30 BHEDHN C=CCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613733708 363626757 /nfs/dbraw/zinc/62/67/57/363626757.db2.gz WRYPMQGBDYCBDN-AWEZNQCLSA-N 0 3 240.350 3.533 20 30 BHEDHN C=CCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733709 363626994 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/nfs/dbraw/zinc/08/24/92/368082492.db2.gz NYJRSBCDPXNYHU-XHSDSOJGSA-N 0 3 246.398 3.604 20 30 BHEDHN CCN(CCCCC(C)(C)C#N)Cc1ccoc1 ZINC000618279285 345104822 /nfs/dbraw/zinc/10/48/22/345104822.db2.gz ODUGZDIPTGIMCC-UHFFFAOYSA-N 0 3 248.370 3.822 20 30 BHEDHN C[C@H](C#N)CNC1CCC(C2CCCCC2)CC1 ZINC000618606698 343221261 /nfs/dbraw/zinc/22/12/61/343221261.db2.gz WHOBMBDBXVNOLY-IUDNXUCKSA-N 0 3 248.414 3.875 20 30 BHEDHN C[C@@H](C#N)CNC1CCC(C2CCCCC2)CC1 ZINC000618606707 343221047 /nfs/dbraw/zinc/22/10/47/343221047.db2.gz WHOBMBDBXVNOLY-JEYLPNPQSA-N 0 3 248.414 3.875 20 30 BHEDHN C[C@@H](NCC(C)(C)C#N)[C@@H](C)C1CCCCC1 ZINC000619428910 369346835 /nfs/dbraw/zinc/34/68/35/369346835.db2.gz MGIQLZDLXLTMPK-CHWSQXEVSA-N 0 3 236.403 3.731 20 30 BHEDHN C[C@H](NCC(C)(C)C#N)[C@@H](C)C1CCCCC1 ZINC000619428911 369345649 /nfs/dbraw/zinc/34/56/49/369345649.db2.gz MGIQLZDLXLTMPK-OLZOCXBDSA-N 0 3 236.403 3.731 20 30 BHEDHN C[C@@H](NCC(C)(C)C#N)[C@H](C)C1CCCCC1 ZINC000619428912 369346014 /nfs/dbraw/zinc/34/60/14/369346014.db2.gz MGIQLZDLXLTMPK-QWHCGFSZSA-N 0 3 236.403 3.731 20 30 BHEDHN C[C@@H]([C@H](C)NCC(C)(C)C#N)C1CCCCC1 ZINC000619428913 369345905 /nfs/dbraw/zinc/34/59/05/369345905.db2.gz MGIQLZDLXLTMPK-STQMWFEESA-N 0 3 236.403 3.731 20 30 BHEDHN CC(C)=CCC[C@H](C)CCNCC(C)(C)C#N ZINC000619509298 369448093 /nfs/dbraw/zinc/44/80/93/369448093.db2.gz IKOSAWMNXUCBMF-AWEZNQCLSA-N 0 3 236.403 3.898 20 30 BHEDHN CC(C)=CCC[C@@H](C)CCNCC(C)(C)C#N ZINC000619509299 369448415 /nfs/dbraw/zinc/44/84/15/369448415.db2.gz IKOSAWMNXUCBMF-CQSZACIVSA-N 0 3 236.403 3.898 20 30 BHEDHN C[C@H](CCC1CCCCC1)NCC1(C#N)CC1 ZINC000619534983 369467321 /nfs/dbraw/zinc/46/73/21/369467321.db2.gz JFXANIALGADDBD-CYBMUJFWSA-N 0 3 234.387 3.629 20 30 BHEDHN C[C@@H](CCC1CCCCC1)NCC1(C#N)CC1 ZINC000619534984 369467356 /nfs/dbraw/zinc/46/73/56/369467356.db2.gz JFXANIALGADDBD-ZDUSSCGKSA-N 0 3 234.387 3.629 20 30 BHEDHN C=CCCCCCN(C)Cc1ccnc(C)c1 ZINC000621259283 370192084 /nfs/dbraw/zinc/19/20/84/370192084.db2.gz QEZYFUGQYIJCBI-UHFFFAOYSA-N 0 3 232.371 3.568 20 30 BHEDHN C=C(C)CN(CCC)Cc1ccccc1F ZINC000621296881 370224979 /nfs/dbraw/zinc/22/49/79/370224979.db2.gz PRPWURHMDHFQPG-UHFFFAOYSA-N 0 3 221.319 3.614 20 30 BHEDHN C=CCN(CCCC)[C@H](C)c1ccc(C)o1 ZINC000621317528 370244368 /nfs/dbraw/zinc/24/43/68/370244368.db2.gz ICYHIRVGVIWVQN-CYBMUJFWSA-N 0 3 221.344 3.937 20 30 BHEDHN C=CCN(CCCC)[C@@H](C)c1ccc(C)o1 ZINC000621317529 370244078 /nfs/dbraw/zinc/24/40/78/370244078.db2.gz ICYHIRVGVIWVQN-ZDUSSCGKSA-N 0 3 221.344 3.937 20 30 BHEDHN C=CCN(Cc1cncc(Cl)c1)C(C)(C)C ZINC000621321582 370249024 /nfs/dbraw/zinc/24/90/24/370249024.db2.gz OEUGAHSHZZZWBV-UHFFFAOYSA-N 0 3 238.762 3.522 20 30 BHEDHN C=CC[C@@H](C)NCc1csc(C(F)(F)F)c1 ZINC000623423133 358208870 /nfs/dbraw/zinc/20/88/70/358208870.db2.gz WREQKBVNFXJZQK-MRVPVSSYSA-N 0 3 249.301 3.821 20 30 BHEDHN C=CC[C@H](C)NCc1csc(C(F)(F)F)c1 ZINC000623423134 358208744 /nfs/dbraw/zinc/20/87/44/358208744.db2.gz WREQKBVNFXJZQK-QMMMGPOBSA-N 0 3 249.301 3.821 20 30 BHEDHN C=C(C)CCNCc1csc(C(F)(F)F)c1 ZINC000623538903 362958458 /nfs/dbraw/zinc/95/84/58/362958458.db2.gz ZYMCSUASXMTUJM-UHFFFAOYSA-N 0 3 249.301 3.823 20 30 BHEDHN C=C(CC)CNCc1csc(C(F)(F)F)c1 ZINC000623542448 362960360 /nfs/dbraw/zinc/96/03/60/362960360.db2.gz BADVHGQVRYIOPK-UHFFFAOYSA-N 0 3 249.301 3.823 20 30 BHEDHN C=CCCCCCNCc1ccncc1Cl ZINC000623560711 362984995 /nfs/dbraw/zinc/98/49/95/362984995.db2.gz PQHJURWATSUFPA-UHFFFAOYSA-N 0 3 238.762 3.571 20 30 BHEDHN C=CCCC(C)(C)NCc1ccncc1Cl ZINC000623575075 363004819 /nfs/dbraw/zinc/00/48/19/363004819.db2.gz IXSSTQNKQKAQBN-UHFFFAOYSA-N 0 3 238.762 3.569 20 30 BHEDHN C=CC(C)(C)CCNCc1ccc(Cl)o1 ZINC000623592303 363027093 /nfs/dbraw/zinc/02/70/93/363027093.db2.gz GEVLSNFJDGNDGF-UHFFFAOYSA-N 0 3 227.735 3.625 20 30 BHEDHN C=C[C@@H](C)N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000623904339 355385663 /nfs/dbraw/zinc/38/56/63/355385663.db2.gz AOYQTUXXMZFIIU-AMIZOPFISA-N 0 3 239.721 3.631 20 30 BHEDHN C=C[C@H](C)N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000623904340 355385744 /nfs/dbraw/zinc/38/57/44/355385744.db2.gz AOYQTUXXMZFIIU-ISVAXAHUSA-N 0 3 239.721 3.631 20 30 BHEDHN C=C[C@@H](C)N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000623904341 355385374 /nfs/dbraw/zinc/38/53/74/355385374.db2.gz AOYQTUXXMZFIIU-OQPBUACISA-N 0 3 239.721 3.631 20 30 BHEDHN C=C[C@H](C)N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000623904342 355385690 /nfs/dbraw/zinc/38/56/90/355385690.db2.gz AOYQTUXXMZFIIU-SDBXPKJASA-N 0 3 239.721 3.631 20 30 BHEDHN C=CCC(C)(C)CN[C@H](C)c1nc(C)cs1 ZINC000623989252 371222254 /nfs/dbraw/zinc/22/22/54/371222254.db2.gz PMHHHTQAYNLDBF-LLVKDONJSA-N 0 3 238.400 3.704 20 30 BHEDHN C=CCC(C)(C)CN[C@@H](C)c1nc(C)cs1 ZINC000623989253 371222302 /nfs/dbraw/zinc/22/23/02/371222302.db2.gz PMHHHTQAYNLDBF-NSHDSACASA-N 0 3 238.400 3.704 20 30 BHEDHN C=CC(C)(C)CCN[C@H](C)c1nc(C)cs1 ZINC000624036891 371265179 /nfs/dbraw/zinc/26/51/79/371265179.db2.gz COTIWVAADCDEOT-LLVKDONJSA-N 0 3 238.400 3.704 20 30 BHEDHN C=CC(C)(C)CCN[C@@H](C)c1nc(C)cs1 ZINC000624036892 371265187 /nfs/dbraw/zinc/26/51/87/371265187.db2.gz COTIWVAADCDEOT-NSHDSACASA-N 0 3 238.400 3.704 20 30 BHEDHN C=CC(C)(C)CCN[C@@H](C)c1csc(C)n1 ZINC000624037013 350042744 /nfs/dbraw/zinc/04/27/44/350042744.db2.gz IVCQSJRGVMEVKP-JTQLQIEISA-N 0 3 238.400 3.704 20 30 BHEDHN C=CC(C)(C)CCN[C@H](C)c1csc(C)n1 ZINC000624037014 350042573 /nfs/dbraw/zinc/04/25/73/350042573.db2.gz IVCQSJRGVMEVKP-SNVBAGLBSA-N 0 3 238.400 3.704 20 30 BHEDHN C=CC(C)(C)CCN[C@H](C)c1ccc(C)o1 ZINC000624037724 371266555 /nfs/dbraw/zinc/26/65/55/371266555.db2.gz FLUQKLHDXQZXDQ-GFCCVEGCSA-N 0 3 221.344 3.841 20 30 BHEDHN C=CC(C)(C)CCN[C@@H](C)c1ccc(C)o1 ZINC000624037725 371266432 /nfs/dbraw/zinc/26/64/32/371266432.db2.gz FLUQKLHDXQZXDQ-LBPRGKRZSA-N 0 3 221.344 3.841 20 30 BHEDHN C=CC(C)(C)CCN[C@H](C)c1ccco1 ZINC000624037974 371266612 /nfs/dbraw/zinc/26/66/12/371266612.db2.gz NCSNUIHIKYYTGM-LLVKDONJSA-N 0 3 207.317 3.533 20 30 BHEDHN C=CC(C)(C)CCN[C@@H](C)c1ccco1 ZINC000624037979 371266112 /nfs/dbraw/zinc/26/61/12/371266112.db2.gz NCSNUIHIKYYTGM-NSHDSACASA-N 0 3 207.317 3.533 20 30 BHEDHN C=CCC1(NCc2nc(C)oc2C)CCCCC1 ZINC000625934187 344574254 /nfs/dbraw/zinc/57/42/54/344574254.db2.gz DMKILLHTARHIQI-UHFFFAOYSA-N 0 3 248.370 3.660 20 30 BHEDHN C=CCC1(NCc2oc(C)nc2C)CCCCC1 ZINC000625934223 344574248 /nfs/dbraw/zinc/57/42/48/344574248.db2.gz FONGEOCZGFDJRX-UHFFFAOYSA-N 0 3 248.370 3.660 20 30 BHEDHN C=CCC1(NCc2conc2CC)CCCCC1 ZINC000625934283 344574227 /nfs/dbraw/zinc/57/42/27/344574227.db2.gz IDPXDLWNRQKZLL-UHFFFAOYSA-N 0 3 248.370 3.606 20 30 BHEDHN C=CCC1(NCc2nc(C)c(C)o2)CCCCC1 ZINC000625936785 344573539 /nfs/dbraw/zinc/57/35/39/344573539.db2.gz XKBRYRSUEKZRFE-UHFFFAOYSA-N 0 3 248.370 3.660 20 30 BHEDHN C=CCC1(NCc2ncc(CC)o2)CCCCC1 ZINC000625936791 344573223 /nfs/dbraw/zinc/57/32/23/344573223.db2.gz XPRYITAKLAWUSP-UHFFFAOYSA-N 0 3 248.370 3.606 20 30 BHEDHN C=CCCNC1(c2c(F)cccc2F)CCC1 ZINC000626178315 346857687 /nfs/dbraw/zinc/85/76/87/346857687.db2.gz PDGUPSRTWPOROV-UHFFFAOYSA-N 0 3 237.293 3.510 20 30 BHEDHN C=CCN(Cc1cnc(C)o1)CC1CCCCC1 ZINC000628173553 344894686 /nfs/dbraw/zinc/89/46/86/344894686.db2.gz AIIOSLBZDXOJKE-UHFFFAOYSA-N 0 3 248.370 3.551 20 30 BHEDHN C=CCCCCCN(C)Cc1cnc(C2CC2)o1 ZINC000628179338 344913900 /nfs/dbraw/zinc/91/39/00/344913900.db2.gz WQNRMQHEWGFPJE-UHFFFAOYSA-N 0 3 248.370 3.730 20 30 BHEDHN C=CCCN(C)Cc1csc(C(F)(F)F)c1 ZINC000628246845 346214055 /nfs/dbraw/zinc/21/40/55/346214055.db2.gz FUEKWSNOXJMKPQ-UHFFFAOYSA-N 0 3 249.301 3.775 20 30 BHEDHN C=CC[C@@H]1N(Cc2cnc(C)o2)CCCC1(C)C ZINC000628253142 346227213 /nfs/dbraw/zinc/22/72/13/346227213.db2.gz WBMRHKIKJMRUQW-AWEZNQCLSA-N 0 3 248.370 3.550 20 30 BHEDHN C=CC[C@H]1N(Cc2cnc(C)o2)CCCC1(C)C ZINC000628253143 346227393 /nfs/dbraw/zinc/22/73/93/346227393.db2.gz WBMRHKIKJMRUQW-CQSZACIVSA-N 0 3 248.370 3.550 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccc2[nH]ccc2c1 ZINC000628254003 346235194 /nfs/dbraw/zinc/23/51/94/346235194.db2.gz HWLYXTIXGFQCJG-HNNXBMFYSA-N 0 3 240.350 3.708 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccc2[nH]ccc2c1 ZINC000628254004 346235145 /nfs/dbraw/zinc/23/51/45/346235145.db2.gz HWLYXTIXGFQCJG-OAHLLOKOSA-N 0 3 240.350 3.708 20 30 BHEDHN C=CCC1(CNCc2oc(C)nc2C)CCCC1 ZINC000628300366 348310217 /nfs/dbraw/zinc/31/02/17/348310217.db2.gz BYUMKKFWDYMNQV-UHFFFAOYSA-N 0 3 248.370 3.518 20 30 BHEDHN C=CCCC1(CNCc2cnc(C)o2)CCCC1 ZINC000628337790 351281154 /nfs/dbraw/zinc/28/11/54/351281154.db2.gz RFATVGDZYKVZLM-UHFFFAOYSA-N 0 3 248.370 3.599 20 30 BHEDHN C=CCC1(NCc2cnc(C3CC3)o2)CCCC1 ZINC000628342987 351288809 /nfs/dbraw/zinc/28/88/09/351288809.db2.gz VDPCTCBIOQPVQB-UHFFFAOYSA-N 0 3 246.354 3.531 20 30 BHEDHN C=CCCC1(CNCc2cc(C)no2)CCCC1 ZINC000631169072 372215218 /nfs/dbraw/zinc/21/52/18/372215218.db2.gz BDQZZDQUSDLYTC-UHFFFAOYSA-N 0 3 248.370 3.599 20 30 BHEDHN C=CCCC(C)(C)CNCc1ncc(C)s1 ZINC000631220013 372243328 /nfs/dbraw/zinc/24/33/28/372243328.db2.gz OMWOBQVHLNGNLN-UHFFFAOYSA-N 0 3 238.400 3.534 20 30 BHEDHN C=CCCC(C)(C)CNCc1csc(C)n1 ZINC000631220027 372243242 /nfs/dbraw/zinc/24/32/42/372243242.db2.gz PABWUCNGSDGSSB-UHFFFAOYSA-N 0 3 238.400 3.534 20 30 BHEDHN C=CCCC(C)(C)CNCc1nccn1C(C)C ZINC000631220094 372243427 /nfs/dbraw/zinc/24/34/27/372243427.db2.gz QFNLXYZNOWAACW-UHFFFAOYSA-N 0 3 249.402 3.546 20 30 BHEDHN C=CCCC(C)(C)CN[C@H](C)c1cc(C)on1 ZINC000631678988 372503460 /nfs/dbraw/zinc/50/34/60/372503460.db2.gz CLMDNHUXWMQQPE-GFCCVEGCSA-N 0 3 236.359 3.626 20 30 BHEDHN C=CCCC(C)(C)CN[C@@H](C)c1cc(C)on1 ZINC000631678989 372503397 /nfs/dbraw/zinc/50/33/97/372503397.db2.gz CLMDNHUXWMQQPE-LBPRGKRZSA-N 0 3 236.359 3.626 20 30 BHEDHN C=CCCC(C)(C)CN[C@H](C)c1nccs1 ZINC000631679080 372503787 /nfs/dbraw/zinc/50/37/87/372503787.db2.gz DIWMIYWOAQAGNA-LLVKDONJSA-N 0 3 238.400 3.786 20 30 BHEDHN C=CCCC(C)(C)CN[C@@H](C)c1nccs1 ZINC000631679096 372503547 /nfs/dbraw/zinc/50/35/47/372503547.db2.gz DIWMIYWOAQAGNA-NSHDSACASA-N 0 3 238.400 3.786 20 30 BHEDHN C=CCCC(C)(C)CN[C@H](C)c1ccccn1 ZINC000631680256 372505439 /nfs/dbraw/zinc/50/54/39/372505439.db2.gz MZVRISGTTTURIB-CYBMUJFWSA-N 0 3 232.371 3.725 20 30 BHEDHN C=CCCC(C)(C)CN[C@@H](C)c1ccccn1 ZINC000631680257 372505330 /nfs/dbraw/zinc/50/53/30/372505330.db2.gz MZVRISGTTTURIB-ZDUSSCGKSA-N 0 3 232.371 3.725 20 30 BHEDHN C=CCCC(C)(C)CN[C@H](C)c1cscn1 ZINC000631680669 372505255 /nfs/dbraw/zinc/50/52/55/372505255.db2.gz QHTPIVNJEPAEJR-LLVKDONJSA-N 0 3 238.400 3.786 20 30 BHEDHN C=CCCC(C)(C)CN[C@@H](C)c1cscn1 ZINC000631680670 372505571 /nfs/dbraw/zinc/50/55/71/372505571.db2.gz QHTPIVNJEPAEJR-NSHDSACASA-N 0 3 238.400 3.786 20 30 BHEDHN C=CCCC(C)(C)CN[C@H](C)c1nccn1CC ZINC000631682026 372505139 /nfs/dbraw/zinc/50/51/39/372505139.db2.gz CBSRDGBSZDRMFK-CYBMUJFWSA-N 0 3 249.402 3.546 20 30 BHEDHN C=CCCC(C)(C)CN[C@@H](C)c1nccn1CC ZINC000631682027 372505359 /nfs/dbraw/zinc/50/53/59/372505359.db2.gz CBSRDGBSZDRMFK-ZDUSSCGKSA-N 0 3 249.402 3.546 20 30 BHEDHN C=CCCC[C@@H](C)NCc1nc2ccccc2o1 ZINC000638836848 353021729 /nfs/dbraw/zinc/02/17/29/353021729.db2.gz LFYJBFPSUVFAJF-GFCCVEGCSA-N 0 3 244.338 3.662 20 30 BHEDHN C=CCCC[C@H](C)NCc1nc2ccccc2o1 ZINC000638836866 353021916 /nfs/dbraw/zinc/02/19/16/353021916.db2.gz LFYJBFPSUVFAJF-LBPRGKRZSA-N 0 3 244.338 3.662 20 30 BHEDHN C=CCC(C)(C)CNCc1nc2ccccc2o1 ZINC000639208390 354712052 /nfs/dbraw/zinc/71/20/52/354712052.db2.gz ZUJXXMGXSDKBCV-UHFFFAOYSA-N 0 3 244.338 3.520 20 30 BHEDHN C=CCCCCCNCc1nc2ccccc2o1 ZINC000639313635 355692164 /nfs/dbraw/zinc/69/21/64/355692164.db2.gz ZWYYZQFORVNNCJ-UHFFFAOYSA-N 0 3 244.338 3.664 20 30 BHEDHN C=CCCC(C)(C)NCc1nc2ccccc2o1 ZINC000639334484 355765101 /nfs/dbraw/zinc/76/51/01/355765101.db2.gz DTUKZFSEUNWFJG-UHFFFAOYSA-N 0 3 244.338 3.662 20 30 BHEDHN C=CC(C)(C)CCNCc1nc2ccccc2o1 ZINC000639343733 355786517 /nfs/dbraw/zinc/78/65/17/355786517.db2.gz NWNPNKWWKCVOID-UHFFFAOYSA-N 0 3 244.338 3.520 20 30 BHEDHN C=CCCC(C)(C)CNCc1cnc(C2CC2)o1 ZINC000639380767 355919762 /nfs/dbraw/zinc/91/97/62/355919762.db2.gz HMXLKOUVAZGJMY-UHFFFAOYSA-N 0 3 248.370 3.634 20 30 BHEDHN C=CCCC(C)(C)CNCc1cc(C2CC2)no1 ZINC000639381007 355920740 /nfs/dbraw/zinc/92/07/40/355920740.db2.gz JTZMZYWZHODTTE-UHFFFAOYSA-N 0 3 248.370 3.634 20 30 BHEDHN C=CCN(CC=C)CC(C)(C)c1ccccc1 ZINC000642243022 362982805 /nfs/dbraw/zinc/98/28/05/362982805.db2.gz GRSQFHIHWGFWOQ-UHFFFAOYSA-N 0 3 229.367 3.638 20 30 BHEDHN C=CCN(Cc1ccccc1F)[C@H](C)C(C)C ZINC000642252431 362995206 /nfs/dbraw/zinc/99/52/06/362995206.db2.gz DKGMPVFIQHKMTC-CYBMUJFWSA-N 0 3 235.346 3.858 20 30 BHEDHN C=CCN(Cc1ccccc1F)[C@@H](C)C(C)C ZINC000642252432 362995275 /nfs/dbraw/zinc/99/52/75/362995275.db2.gz DKGMPVFIQHKMTC-ZDUSSCGKSA-N 0 3 235.346 3.858 20 30 BHEDHN C=C(C)CN(C)Cc1ccc(C(C)C)nc1CC ZINC000645112265 386729993 /nfs/dbraw/zinc/72/99/93/386729993.db2.gz DMTNVVKAWVCTDG-UHFFFAOYSA-N 0 3 246.398 3.775 20 30 BHEDHN C=CCCCCNC1(c2ccccc2OC)CC1 ZINC000646001434 388123308 /nfs/dbraw/zinc/12/33/08/388123308.db2.gz HSINRCBMXUACPH-UHFFFAOYSA-N 0 3 245.366 3.630 20 30 BHEDHN C=C(CC)CN(Cc1ccc(C)nc1)CC1CC1 ZINC000646020243 388125308 /nfs/dbraw/zinc/12/53/08/388125308.db2.gz RKUKIJWEPNNZAH-UHFFFAOYSA-N 0 3 244.382 3.568 20 30 BHEDHN C=C(C)CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646116871 388145891 /nfs/dbraw/zinc/14/58/91/388145891.db2.gz IBWTUFSBZCHWNM-INIZCTEOSA-N 0 3 239.362 3.956 20 30 BHEDHN C=C(C)CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116872 388145902 /nfs/dbraw/zinc/14/59/02/388145902.db2.gz IBWTUFSBZCHWNM-MRXNPFEDSA-N 0 3 239.362 3.956 20 30 BHEDHN C=CCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646116921 388145913 /nfs/dbraw/zinc/14/59/13/388145913.db2.gz JUKZIPYYKUFZJQ-HNNXBMFYSA-N 0 3 225.335 3.566 20 30 BHEDHN C=CCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116922 388145898 /nfs/dbraw/zinc/14/58/98/388145898.db2.gz JUKZIPYYKUFZJQ-OAHLLOKOSA-N 0 3 225.335 3.566 20 30 BHEDHN C=C(CC)CN[C@@H](CC(C)C)c1ccncc1 ZINC000647306336 385205485 /nfs/dbraw/zinc/20/54/85/385205485.db2.gz HTZWJCBUWQSVNS-HNNXBMFYSA-N 0 3 232.371 3.725 20 30 BHEDHN C=C(CC)CN[C@H](CC(C)C)c1ccncc1 ZINC000647306337 385204200 /nfs/dbraw/zinc/20/42/00/385204200.db2.gz HTZWJCBUWQSVNS-OAHLLOKOSA-N 0 3 232.371 3.725 20 30 BHEDHN C=CCC[C@@H](C)NC1(c2ccccc2OC)CC1 ZINC000647328878 398342103 /nfs/dbraw/zinc/34/21/03/398342103.db2.gz ABAHMQWWDWGHOF-CYBMUJFWSA-N 0 3 245.366 3.629 20 30 BHEDHN C=CCC[C@H](C)NC1(c2ccccc2OC)CC1 ZINC000647328879 398342130 /nfs/dbraw/zinc/34/21/30/398342130.db2.gz ABAHMQWWDWGHOF-ZDUSSCGKSA-N 0 3 245.366 3.629 20 30 BHEDHN C=CCCCC[C@H](C)N[C@@H](C)c1ccccn1 ZINC000648436647 387854727 /nfs/dbraw/zinc/85/47/27/387854727.db2.gz LAWIVANNMGEVCP-KBPBESRZSA-N 0 3 232.371 3.867 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000648436648 387855414 /nfs/dbraw/zinc/85/54/14/387855414.db2.gz LAWIVANNMGEVCP-KGLIPLIRSA-N 0 3 232.371 3.867 20 30 BHEDHN C=CC(C)(C)CNCc1cscc1Cl ZINC000648733040 388755486 /nfs/dbraw/zinc/75/54/86/388755486.db2.gz RLXMQWZHXROIFC-UHFFFAOYSA-N 0 3 229.776 3.703 20 30 BHEDHN C=CCC1(NCc2nccs2)CCCCC1 ZINC000648777370 411229152 /nfs/dbraw/zinc/22/91/52/411229152.db2.gz RXWULBSHJQUWPD-UHFFFAOYSA-N 0 3 236.384 3.512 20 30 BHEDHN C=CCCCCN(C)Cc1ccsc1 ZINC000649231564 388463630 /nfs/dbraw/zinc/46/36/30/388463630.db2.gz AXODOYOECAUXRX-UHFFFAOYSA-N 0 3 209.358 3.536 20 30 BHEDHN C=CCCCCN(CC)CCC(F)(F)F ZINC000649279176 388507247 /nfs/dbraw/zinc/50/72/47/388507247.db2.gz FJRPHZANPKRYNO-UHFFFAOYSA-N 0 3 223.282 3.617 20 30 BHEDHN C=CCCCCN1CCC(C(F)(F)F)CC1 ZINC000649330163 487734350 /nfs/dbraw/zinc/73/43/50/487734350.db2.gz RGHAIKGYPKLJPQ-UHFFFAOYSA-N 0 3 235.293 3.617 20 30 BHEDHN C=CCCC[C@H](C)N(C)Cc1ccc(C)cn1 ZINC000649903025 398177530 /nfs/dbraw/zinc/17/75/30/398177530.db2.gz NFQZLOBPMOETJM-AWEZNQCLSA-N 0 3 232.371 3.567 20 30 BHEDHN C=CCCC[C@@H](C)N(C)Cc1ccc(C)cn1 ZINC000649903030 398176802 /nfs/dbraw/zinc/17/68/02/398176802.db2.gz NFQZLOBPMOETJM-CQSZACIVSA-N 0 3 232.371 3.567 20 30 BHEDHN C=C(CC)CN[C@H]1CCc2c1cc(F)cc2F ZINC000651473181 411054136 /nfs/dbraw/zinc/05/41/36/411054136.db2.gz DIDGDMAXTALULY-AWEZNQCLSA-N 0 3 237.293 3.508 20 30 BHEDHN C=C(CC)CN[C@@H]1CCc2c1cc(F)cc2F ZINC000651473182 411053784 /nfs/dbraw/zinc/05/37/84/411053784.db2.gz DIDGDMAXTALULY-CQSZACIVSA-N 0 3 237.293 3.508 20 30 BHEDHN C=CC[C@@H]1CC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000651665814 487812935 /nfs/dbraw/zinc/81/29/35/487812935.db2.gz HMPXIFRRMIGTJT-GHMZBOCLSA-N 0 3 239.746 3.767 20 30 BHEDHN C=CC[C@@H]1CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000651665815 487813173 /nfs/dbraw/zinc/81/31/73/487813173.db2.gz HMPXIFRRMIGTJT-MNOVXSKESA-N 0 3 239.746 3.767 20 30 BHEDHN C=CC[C@H]1CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000651665816 487813186 /nfs/dbraw/zinc/81/31/86/487813186.db2.gz HMPXIFRRMIGTJT-QWRGUYRKSA-N 0 3 239.746 3.767 20 30 BHEDHN C=CC[C@H]1CC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000651665817 487813096 /nfs/dbraw/zinc/81/30/96/487813096.db2.gz HMPXIFRRMIGTJT-WDEREUQCSA-N 0 3 239.746 3.767 20 30 BHEDHN C=CC[C@@H]1CC[C@@H](NCc2cc(C(C)C)no2)C1 ZINC000651709824 411137740 /nfs/dbraw/zinc/13/77/40/411137740.db2.gz JRPQUGXYPRZGAF-CHWSQXEVSA-N 0 3 248.370 3.632 20 30 BHEDHN C=CC[C@@H]1CC[C@H](NCc2cc(C(C)C)no2)C1 ZINC000651709825 411137824 /nfs/dbraw/zinc/13/78/24/411137824.db2.gz JRPQUGXYPRZGAF-OLZOCXBDSA-N 0 3 248.370 3.632 20 30 BHEDHN C=CC[C@H]1CC[C@@H](NCc2cc(C(C)C)no2)C1 ZINC000651709826 411137840 /nfs/dbraw/zinc/13/78/40/411137840.db2.gz JRPQUGXYPRZGAF-QWHCGFSZSA-N 0 3 248.370 3.632 20 30 BHEDHN C=CC[C@H]1CC[C@H](NCc2cc(C(C)C)no2)C1 ZINC000651709827 411137629 /nfs/dbraw/zinc/13/76/29/411137629.db2.gz JRPQUGXYPRZGAF-STQMWFEESA-N 0 3 248.370 3.632 20 30 BHEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2c(C)noc2C)C1 ZINC000651717222 411138505 /nfs/dbraw/zinc/13/85/05/411138505.db2.gz XGSJWBZWLLMRCZ-GDLCADMTSA-N 0 3 248.370 3.687 20 30 BHEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2c(C)noc2C)C1 ZINC000651717223 411138345 /nfs/dbraw/zinc/13/83/45/411138345.db2.gz XGSJWBZWLLMRCZ-HONMWMINSA-N 0 3 248.370 3.687 20 30 BHEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2c(C)noc2C)C1 ZINC000651717224 411138391 /nfs/dbraw/zinc/13/83/91/411138391.db2.gz XGSJWBZWLLMRCZ-LERXQTSPSA-N 0 3 248.370 3.687 20 30 BHEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2c(C)noc2C)C1 ZINC000651717225 411138342 /nfs/dbraw/zinc/13/83/42/411138342.db2.gz XGSJWBZWLLMRCZ-ZLKJLUDKSA-N 0 3 248.370 3.687 20 30 BHEDHN C=CCCCCNCc1ccc(F)c(F)c1F ZINC000657437896 411509805 /nfs/dbraw/zinc/50/98/05/411509805.db2.gz GGYIMHHJUJQCBP-UHFFFAOYSA-N 0 3 243.272 3.550 20 30 BHEDHN C=CC[C@H](CC)NCc1ccc(F)c(F)c1F ZINC000657456194 411516550 /nfs/dbraw/zinc/51/65/50/411516550.db2.gz QRRVZJJNYPQFEO-JTQLQIEISA-N 0 3 243.272 3.548 20 30 BHEDHN C=CC[C@@H](CC)NCc1ccc(F)c(F)c1F ZINC000657456195 411515692 /nfs/dbraw/zinc/51/56/92/411515692.db2.gz QRRVZJJNYPQFEO-SNVBAGLBSA-N 0 3 243.272 3.548 20 30 BHEDHN C=C(CC)CNCc1cc2c(cccc2C)[nH]1 ZINC000657483854 411528937 /nfs/dbraw/zinc/52/89/37/411528937.db2.gz DSQYXOHQUIBXEY-UHFFFAOYSA-N 0 3 228.339 3.532 20 30 BHEDHN C=C(CC)CNCc1cc2ccc(C)cc2[nH]1 ZINC000657484947 411530151 /nfs/dbraw/zinc/53/01/51/411530151.db2.gz SGIYDALCJTYYKA-UHFFFAOYSA-N 0 3 228.339 3.532 20 30 BHEDHN C=CCCC1(CNCc2ccccn2)CCCC1 ZINC000657566902 411553310 /nfs/dbraw/zinc/55/33/10/411553310.db2.gz CSHACWYRSWDQNE-UHFFFAOYSA-N 0 3 244.382 3.698 20 30 BHEDHN C=CCCC1(CNCc2conc2C)CCCC1 ZINC000657567131 411553268 /nfs/dbraw/zinc/55/32/68/411553268.db2.gz KFKMMZPOMQHSRU-UHFFFAOYSA-N 0 3 248.370 3.599 20 30 BHEDHN C=CCCNCc1cc(C(F)(F)F)ccc1F ZINC000657582884 411554818 /nfs/dbraw/zinc/55/48/18/411554818.db2.gz LKUAUFKQQQNGJF-UHFFFAOYSA-N 0 3 247.235 3.510 20 30 BHEDHN C=CCCNCc1csc(Cl)c1Cl ZINC000657583947 411554985 /nfs/dbraw/zinc/55/49/85/411554985.db2.gz USUMVQSHIPKCNM-UHFFFAOYSA-N 0 3 236.167 3.721 20 30 BHEDHN C=CCCNCc1cc2ccccc2cc1OC ZINC000657584078 411555103 /nfs/dbraw/zinc/55/51/03/411555103.db2.gz WXTFZMUVBGIMFE-UHFFFAOYSA-N 0 3 241.334 3.514 20 30 BHEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2cscn2)C1 ZINC000657600477 411558438 /nfs/dbraw/zinc/55/84/38/411558438.db2.gz PLGKTBQTLRGXSI-IJLUTSLNSA-N 0 3 236.384 3.539 20 30 BHEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2cscn2)C1 ZINC000657600478 411558349 /nfs/dbraw/zinc/55/83/49/411558349.db2.gz PLGKTBQTLRGXSI-QJPTWQEYSA-N 0 3 236.384 3.539 20 30 BHEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2cscn2)C1 ZINC000657600479 411558536 /nfs/dbraw/zinc/55/85/36/411558536.db2.gz PLGKTBQTLRGXSI-TUAOUCFPSA-N 0 3 236.384 3.539 20 30 BHEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2cscn2)C1 ZINC000657600480 411558385 /nfs/dbraw/zinc/55/83/85/411558385.db2.gz PLGKTBQTLRGXSI-UTUOFQBUSA-N 0 3 236.384 3.539 20 30 BHEDHN C=CCC1(NCc2ccc(Cl)o2)CCCC1 ZINC000657701777 411583300 /nfs/dbraw/zinc/58/33/00/411583300.db2.gz BRRUKCODTFJCOX-UHFFFAOYSA-N 0 3 239.746 3.912 20 30 BHEDHN C=CCCC(C)(C)NCc1ccc(Cl)o1 ZINC000657804642 411600155 /nfs/dbraw/zinc/60/01/55/411600155.db2.gz AFNXCWBDWBXABW-UHFFFAOYSA-N 0 3 227.735 3.767 20 30 BHEDHN C=CCCC(C)(C)NCc1ncc(Cl)s1 ZINC000657804790 411600112 /nfs/dbraw/zinc/60/01/12/411600112.db2.gz DLIGERAZNWWPGN-UHFFFAOYSA-N 0 3 244.791 3.631 20 30 BHEDHN C=CCCC(C)(C)NCc1csc(CC)n1 ZINC000657805489 411600450 /nfs/dbraw/zinc/60/04/50/411600450.db2.gz QIKXHDRKVNIYCW-UHFFFAOYSA-N 0 3 238.400 3.540 20 30 BHEDHN C=CCCC(C)(C)NCc1ncc(CC)s1 ZINC000657805968 411600339 /nfs/dbraw/zinc/60/03/39/411600339.db2.gz ZJAKMRQSIMEJSV-UHFFFAOYSA-N 0 3 238.400 3.540 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000658032529 411210069 /nfs/dbraw/zinc/21/00/69/411210069.db2.gz UFDXAOMZTMQOEH-JTQLQIEISA-N 0 3 240.297 3.636 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000658032530 411210530 /nfs/dbraw/zinc/21/05/30/411210530.db2.gz UFDXAOMZTMQOEH-SNVBAGLBSA-N 0 3 240.297 3.636 20 30 BHEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(C)on1 ZINC000658061328 411228358 /nfs/dbraw/zinc/22/83/58/411228358.db2.gz SWVOZPDPDFBMMG-BFHYXJOUSA-N 0 3 248.370 3.769 20 30 BHEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(C)on1 ZINC000658061334 411228450 /nfs/dbraw/zinc/22/84/50/411228450.db2.gz SWVOZPDPDFBMMG-MCIONIFRSA-N 0 3 248.370 3.769 20 30 BHEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(C)on1 ZINC000658061344 411228380 /nfs/dbraw/zinc/22/83/80/411228380.db2.gz SWVOZPDPDFBMMG-MGPQQGTHSA-N 0 3 248.370 3.769 20 30 BHEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(C)on1 ZINC000658061350 411228107 /nfs/dbraw/zinc/22/81/07/411228107.db2.gz SWVOZPDPDFBMMG-MJBXVCDLSA-N 0 3 248.370 3.769 20 30 BHEDHN C=CCCN[C@@H](C)c1ccc(Cl)cc1OC ZINC000658115419 487548859 /nfs/dbraw/zinc/54/88/59/487548859.db2.gz VMWHQOMSTLKVRP-JTQLQIEISA-N 0 3 239.746 3.575 20 30 BHEDHN C=CCCN[C@H](C)c1ccc(Cl)cc1OC ZINC000658115421 487549252 /nfs/dbraw/zinc/54/92/52/487549252.db2.gz VMWHQOMSTLKVRP-SNVBAGLBSA-N 0 3 239.746 3.575 20 30 BHEDHN C=CCCN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000658116048 411249229 /nfs/dbraw/zinc/24/92/29/411249229.db2.gz YJEHXUXTNCJRIQ-LLVKDONJSA-N 0 3 239.721 3.632 20 30 BHEDHN C=CCCN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000658116054 411249260 /nfs/dbraw/zinc/24/92/60/411249260.db2.gz YJEHXUXTNCJRIQ-NSHDSACASA-N 0 3 239.721 3.632 20 30 BHEDHN C=CCCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000658117360 411250110 /nfs/dbraw/zinc/25/01/10/411250110.db2.gz UUVZVEPNOMOCPS-JTQLQIEISA-N 0 3 239.746 3.575 20 30 BHEDHN C=CCCN[C@H](C)c1cc(Cl)ccc1OC ZINC000658117361 411249930 /nfs/dbraw/zinc/24/99/30/411249930.db2.gz UUVZVEPNOMOCPS-SNVBAGLBSA-N 0 3 239.746 3.575 20 30 BHEDHN C=CCC[C@@H](CC)N[C@H](C)c1cscn1 ZINC000658153399 411268071 /nfs/dbraw/zinc/26/80/71/411268071.db2.gz ZKUFHMBGGJETIO-GHMZBOCLSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCC[C@H](CC)N[C@H](C)c1cscn1 ZINC000658153400 411268356 /nfs/dbraw/zinc/26/83/56/411268356.db2.gz ZKUFHMBGGJETIO-MNOVXSKESA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCC[C@H](CC)N[C@@H](C)c1cscn1 ZINC000658153401 411268435 /nfs/dbraw/zinc/26/84/35/411268435.db2.gz ZKUFHMBGGJETIO-QWRGUYRKSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCC[C@@H](CC)N[C@@H](C)c1cscn1 ZINC000658153402 411268396 /nfs/dbraw/zinc/26/83/96/411268396.db2.gz ZKUFHMBGGJETIO-WDEREUQCSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCC[C@H](NCCc1ccoc1)c1ccco1 ZINC000658200323 411290987 /nfs/dbraw/zinc/29/09/87/411290987.db2.gz MZKFTQDVYCAAGP-AWEZNQCLSA-N 0 3 245.322 3.712 20 30 BHEDHN C=CCC[C@@H](NCCc1ccoc1)c1ccco1 ZINC000658200325 411291514 /nfs/dbraw/zinc/29/15/14/411291514.db2.gz MZKFTQDVYCAAGP-CQSZACIVSA-N 0 3 245.322 3.712 20 30 BHEDHN C=CCC[C@H](NCC1=CCCC1)c1ccco1 ZINC000658290881 411324370 /nfs/dbraw/zinc/32/43/70/411324370.db2.gz HKZVODCBQRHEPF-AWEZNQCLSA-N 0 3 231.339 3.987 20 30 BHEDHN C=CCC[C@@H](NCC1=CCCC1)c1ccco1 ZINC000658290883 411324399 /nfs/dbraw/zinc/32/43/99/411324399.db2.gz HKZVODCBQRHEPF-CQSZACIVSA-N 0 3 231.339 3.987 20 30 BHEDHN C=CCN(Cc1cccc(SC)c1)C1CC1 ZINC000660168744 487724864 /nfs/dbraw/zinc/72/48/64/487724864.db2.gz ADUOXBZBNUSMLQ-UHFFFAOYSA-N 0 3 233.380 3.559 20 30 BHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1oc(C)nc1C ZINC000661114788 411712846 /nfs/dbraw/zinc/71/28/46/411712846.db2.gz MJBCFCSOFVUVKB-KBPBESRZSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1oc(C)nc1C ZINC000661114789 411713022 /nfs/dbraw/zinc/71/30/22/411713022.db2.gz MJBCFCSOFVUVKB-KGLIPLIRSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@H]1CCCC[C@H]1NCc1oc(C)nc1C ZINC000661114790 411713034 /nfs/dbraw/zinc/71/30/34/411713034.db2.gz MJBCFCSOFVUVKB-UONOGXRCSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1oc(C)nc1C ZINC000661114791 488041750 /nfs/dbraw/zinc/04/17/50/488041750.db2.gz MJBCFCSOFVUVKB-ZIAGYGMSSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(C)oc1C ZINC000661116193 411714331 /nfs/dbraw/zinc/71/43/31/411714331.db2.gz WVWRVRDWQYNFBD-KBPBESRZSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(C)oc1C ZINC000661116195 411714490 /nfs/dbraw/zinc/71/44/90/411714490.db2.gz WVWRVRDWQYNFBD-KGLIPLIRSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(C)oc1C ZINC000661116197 411713665 /nfs/dbraw/zinc/71/36/65/411713665.db2.gz WVWRVRDWQYNFBD-UONOGXRCSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C)oc1C ZINC000661116199 411713675 /nfs/dbraw/zinc/71/36/75/411713675.db2.gz WVWRVRDWQYNFBD-ZIAGYGMSSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(C)c(C)o1 ZINC000661118073 411714003 /nfs/dbraw/zinc/71/40/03/411714003.db2.gz WESGQUAXEQVCDP-KBPBESRZSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(C)c(C)o1 ZINC000661118074 411714219 /nfs/dbraw/zinc/71/42/19/411714219.db2.gz WESGQUAXEQVCDP-KGLIPLIRSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(C)c(C)o1 ZINC000661118075 411713687 /nfs/dbraw/zinc/71/36/87/411713687.db2.gz WESGQUAXEQVCDP-UONOGXRCSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C)c(C)o1 ZINC000661118076 411714131 /nfs/dbraw/zinc/71/41/31/411714131.db2.gz WESGQUAXEQVCDP-ZIAGYGMSSA-N 0 3 248.370 3.516 20 30 BHEDHN C=CCN(Cc1ccsc1)C(C)(C)C ZINC000661136260 411716700 /nfs/dbraw/zinc/71/67/00/411716700.db2.gz QHTMEJLSEXALOZ-UHFFFAOYSA-N 0 3 209.358 3.535 20 30 BHEDHN C=CCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435563 487625606 /nfs/dbraw/zinc/62/56/06/487625606.db2.gz PHCQYHMKKQOVRL-AWEZNQCLSA-N 0 3 231.339 3.773 20 30 BHEDHN C=CCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435567 487626871 /nfs/dbraw/zinc/62/68/71/487626871.db2.gz PHCQYHMKKQOVRL-CQSZACIVSA-N 0 3 231.339 3.773 20 30 BHEDHN C=C(C)CCN1CC[C@H]1c1ccc(F)cc1 ZINC000661510493 411792341 /nfs/dbraw/zinc/79/23/41/411792341.db2.gz BRIVQBITEMJYBO-AWEZNQCLSA-N 0 3 219.303 3.539 20 30 BHEDHN C=C(C)CCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661510496 411791021 /nfs/dbraw/zinc/79/10/21/411791021.db2.gz BRIVQBITEMJYBO-CQSZACIVSA-N 0 3 219.303 3.539 20 30 BHEDHN C=CCCCN1CC[C@H]1c1ccc(F)cc1 ZINC000661510787 411791285 /nfs/dbraw/zinc/79/12/85/411791285.db2.gz IIPZFQJCSSCEKE-AWEZNQCLSA-N 0 3 219.303 3.539 20 30 BHEDHN C=CCCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661510788 411792269 /nfs/dbraw/zinc/79/22/69/411792269.db2.gz IIPZFQJCSSCEKE-CQSZACIVSA-N 0 3 219.303 3.539 20 30 BHEDHN C=CCCN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661659697 411832339 /nfs/dbraw/zinc/83/23/39/411832339.db2.gz LAEOWTHBHMNZQH-AWEZNQCLSA-N 0 3 249.329 3.547 20 30 BHEDHN C=CCCN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661659698 411832943 /nfs/dbraw/zinc/83/29/43/411832943.db2.gz LAEOWTHBHMNZQH-CQSZACIVSA-N 0 3 249.329 3.547 20 30 BHEDHN C=C(C)CN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661661028 411137858 /nfs/dbraw/zinc/13/78/58/411137858.db2.gz MBPCSVHRSQGSLC-AWEZNQCLSA-N 0 3 249.329 3.547 20 30 BHEDHN C=C(C)CN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661661029 411138019 /nfs/dbraw/zinc/13/80/19/411138019.db2.gz MBPCSVHRSQGSLC-CQSZACIVSA-N 0 3 249.329 3.547 20 30 BHEDHN C=CCN(Cc1sc(C)nc1C)C(C)(C)C ZINC000661756648 411868172 /nfs/dbraw/zinc/86/81/72/411868172.db2.gz VBBOLJYGNRSXKV-UHFFFAOYSA-N 0 3 238.400 3.546 20 30 BHEDHN C=CCN(CCC(=O)c1ccccc1)C(C)(C)C ZINC000661756992 411867440 /nfs/dbraw/zinc/86/74/40/411867440.db2.gz AKPYSXUUICRQKX-UHFFFAOYSA-N 0 3 245.366 3.546 20 30 BHEDHN C=CCN(Cc1cccc(C(C)=O)c1)C(C)(C)C ZINC000661757104 488036208 /nfs/dbraw/zinc/03/62/08/488036208.db2.gz DWRGQIHLFISKQT-UHFFFAOYSA-N 0 3 245.366 3.676 20 30 BHEDHN C=CCN(Cc1c(C)nsc1C)C(C)(C)C ZINC000661757359 411868446 /nfs/dbraw/zinc/86/84/46/411868446.db2.gz GTUUPJJTICNRSO-UHFFFAOYSA-N 0 3 238.400 3.546 20 30 BHEDHN C=CCN(Cc1ccc(Cl)cn1)C(C)(C)C ZINC000661760465 411871580 /nfs/dbraw/zinc/87/15/80/411871580.db2.gz UXQOQNDPHDJBQA-UHFFFAOYSA-N 0 3 238.762 3.522 20 30 BHEDHN C=CCC1(NCc2cc(C3CC3)no2)CCCC1 ZINC000661850343 411901053 /nfs/dbraw/zinc/90/10/53/411901053.db2.gz HZUNRCDHUJHIKO-UHFFFAOYSA-N 0 3 246.354 3.531 20 30 BHEDHN C=CCC1(NCc2oc(CC)nc2C)CCCC1 ZINC000661851559 411902606 /nfs/dbraw/zinc/90/26/06/411902606.db2.gz XCHLHPLHJKWGKU-UHFFFAOYSA-N 0 3 248.370 3.524 20 30 BHEDHN C=CCC1(NCc2c(C)onc2CC)CCCC1 ZINC000661861464 411907099 /nfs/dbraw/zinc/90/70/99/411907099.db2.gz AQIVCQAYFPNGJZ-UHFFFAOYSA-N 0 3 248.370 3.524 20 30 BHEDHN C=CCCCCCN1CCC(c2ccon2)CC1 ZINC000662048549 411354505 /nfs/dbraw/zinc/35/45/05/411354505.db2.gz ZFIUMMXEWUVIEI-UHFFFAOYSA-N 0 3 248.370 3.600 20 30 BHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1F ZINC000662077974 411978715 /nfs/dbraw/zinc/97/87/15/411978715.db2.gz GOODVOZAKZFGHJ-OKILXGFUSA-N 0 3 231.314 3.509 20 30 BHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000662078212 411357691 /nfs/dbraw/zinc/35/76/91/411357691.db2.gz ADQSYPIAMAPEMC-GASCZTMLSA-N 0 3 231.314 3.509 20 30 BHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1 ZINC000662079705 411980330 /nfs/dbraw/zinc/98/03/30/411980330.db2.gz MPDKFZZFCJQPMG-GASCZTMLSA-N 0 3 231.314 3.509 20 30 BHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1 ZINC000662080404 411979370 /nfs/dbraw/zinc/97/93/70/411979370.db2.gz PXGVIXDBTMOAPH-BETUJISGSA-N 0 3 249.304 3.648 20 30 BHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(F)c1 ZINC000662090129 411984399 /nfs/dbraw/zinc/98/43/99/411984399.db2.gz KARFWNWMWBIUEJ-GASCZTMLSA-N 0 3 249.304 3.648 20 30 BHEDHN C=CCCCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664818665 412025539 /nfs/dbraw/zinc/02/55/39/412025539.db2.gz IKKSXSYYSNPCMQ-HNNXBMFYSA-N 0 3 244.382 3.821 20 30 BHEDHN C=CCCCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664818668 412025518 /nfs/dbraw/zinc/02/55/18/412025518.db2.gz IKKSXSYYSNPCMQ-OAHLLOKOSA-N 0 3 244.382 3.821 20 30 BHEDHN C=CCCCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828570 412026653 /nfs/dbraw/zinc/02/66/53/412026653.db2.gz GWZOELNIAFKQBD-HNNXBMFYSA-N 0 3 244.382 3.821 20 30 BHEDHN C=CCCCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828571 412028457 /nfs/dbraw/zinc/02/84/57/412028457.db2.gz GWZOELNIAFKQBD-OAHLLOKOSA-N 0 3 244.382 3.821 20 30 BHEDHN C=C(C)CN(CC)Cc1cc2ccncc2s1 ZINC000667473930 488020594 /nfs/dbraw/zinc/02/05/94/488020594.db2.gz ZFDNCELLAHXMLF-UHFFFAOYSA-N 0 3 246.379 3.694 20 30 BHEDHN C=CCN(Cc1cc2ccc(C)cc2[nH]1)C1CC1 ZINC000667981788 488175313 /nfs/dbraw/zinc/17/53/13/488175313.db2.gz YEFUYXSITVBGIG-UHFFFAOYSA-N 0 3 240.350 3.627 20 30 BHEDHN C=CCN(Cc1cc2c(cccc2C)[nH]1)C1CC1 ZINC000667982774 487789071 /nfs/dbraw/zinc/78/90/71/487789071.db2.gz PXRICNPIJPTIRU-UHFFFAOYSA-N 0 3 240.350 3.627 20 30 BHEDHN CCC#C[C@@H](C)N[C@H](C)c1ccccc1SC ZINC000669694353 487683971 /nfs/dbraw/zinc/68/39/71/487683971.db2.gz AHHMVNDPJCKJOJ-CHWSQXEVSA-N 0 3 247.407 3.861 20 30 BHEDHN CCC#C[C@H](C)N[C@H](C)c1ccccc1SC ZINC000669694354 487684328 /nfs/dbraw/zinc/68/43/28/487684328.db2.gz AHHMVNDPJCKJOJ-QWHCGFSZSA-N 0 3 247.407 3.861 20 30 BHEDHN C=CCCCN1CC[C@@](F)(c2ccccc2)C1 ZINC000669942863 487950517 /nfs/dbraw/zinc/95/05/17/487950517.db2.gz RZQCFAJDVWESGR-HNNXBMFYSA-N 0 3 233.330 3.523 20 30 BHEDHN C=CCCCN1CC[C@](F)(c2ccccc2)C1 ZINC000669942864 487950556 /nfs/dbraw/zinc/95/05/56/487950556.db2.gz RZQCFAJDVWESGR-OAHLLOKOSA-N 0 3 233.330 3.523 20 30 BHEDHN C=C(CC)CN1CCC(C)=C(c2ccco2)C1 ZINC000669944890 487952532 /nfs/dbraw/zinc/95/25/32/487952532.db2.gz WNAQJLJRAWCGLZ-UHFFFAOYSA-N 0 3 231.339 3.725 20 30 BHEDHN CCC#C[C@H](C)N1CCC(C)=C(c2ccco2)C1 ZINC000669944940 487952250 /nfs/dbraw/zinc/95/22/50/487952250.db2.gz XIUOZWBWAOAISO-AWEZNQCLSA-N 0 3 243.350 3.561 20 30 BHEDHN CCC#C[C@@H](C)N1CCC(C)=C(c2ccco2)C1 ZINC000669944941 487952425 /nfs/dbraw/zinc/95/24/25/487952425.db2.gz XIUOZWBWAOAISO-CQSZACIVSA-N 0 3 243.350 3.561 20 30 BHEDHN C=CCN(CCC(C)C)Cc1cccs1 ZINC000673090763 488276790 /nfs/dbraw/zinc/27/67/90/488276790.db2.gz GYLRPNCSDDFHTL-UHFFFAOYSA-N 0 3 223.385 3.782 20 30 BHEDHN C=CCCCN1CC[C@H]1c1cccc(F)c1 ZINC000674008785 487498005 /nfs/dbraw/zinc/49/80/05/487498005.db2.gz CUFFAEKSJJFDTE-AWEZNQCLSA-N 0 3 219.303 3.539 20 30 BHEDHN C=CCCCN1CC[C@@H]1c1cccc(F)c1 ZINC000674008791 487498274 /nfs/dbraw/zinc/49/82/74/487498274.db2.gz CUFFAEKSJJFDTE-CQSZACIVSA-N 0 3 219.303 3.539 20 30 BHEDHN CC(C)CCN(C)CC#Cc1ccc(Cl)cc1 ZINC000674248878 487536971 /nfs/dbraw/zinc/53/69/71/487536971.db2.gz DCROPQGWLBSLGL-UHFFFAOYSA-N 0 3 249.785 3.669 20 30 BHEDHN C=C(C)CN(CC)CCOc1cccc(CC)c1 ZINC000674783325 487618678 /nfs/dbraw/zinc/61/86/78/487618678.db2.gz YTMNDQXQEARPON-UHFFFAOYSA-N 0 3 247.382 3.526 20 30 BHEDHN C=CCN(Cc1cccc(F)c1)C(C)(C)C ZINC000675549903 487746591 /nfs/dbraw/zinc/74/65/91/487746591.db2.gz FCXMGCCFIXYLHH-UHFFFAOYSA-N 0 3 221.319 3.612 20 30 BHEDHN C=C(C)CN(C)Cc1ccc(C(C)C)cc1 ZINC000675591429 487750964 /nfs/dbraw/zinc/75/09/64/487750964.db2.gz DKTDAQIHNPOZCV-UHFFFAOYSA-N 0 3 217.356 3.818 20 30 BHEDHN C=C(C)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000675591479 487751061 /nfs/dbraw/zinc/75/10/61/487751061.db2.gz GHALSAMIOYPNEJ-UHFFFAOYSA-N 0 3 231.383 3.992 20 30 BHEDHN C=C(CN[C@H](C)c1ccoc1)c1ccccc1 ZINC000675782212 487778258 /nfs/dbraw/zinc/77/82/58/487778258.db2.gz OAVJISIWMSBHMF-CYBMUJFWSA-N 0 3 227.307 3.644 20 30 BHEDHN C=C(CN[C@@H](C)c1ccoc1)c1ccccc1 ZINC000675782213 487778422 /nfs/dbraw/zinc/77/84/22/487778422.db2.gz OAVJISIWMSBHMF-ZDUSSCGKSA-N 0 3 227.307 3.644 20 30 BHEDHN CC(C)CCN(C)CC#Cc1cccc(Cl)c1 ZINC000676557271 487871054 /nfs/dbraw/zinc/87/10/54/487871054.db2.gz PMIZHQGSSRIPNJ-UHFFFAOYSA-N 0 3 249.785 3.669 20 30 BHEDHN CC(C)CCN(C)CC#Cc1ccccc1Cl ZINC000676714188 487901917 /nfs/dbraw/zinc/90/19/17/487901917.db2.gz CVRSUSPXOMRLOB-UHFFFAOYSA-N 0 3 249.785 3.669 20 30 BHEDHN CC[C@@H](C)CN(C)CC#Cc1ccccc1Cl ZINC000676714613 487902056 /nfs/dbraw/zinc/90/20/56/487902056.db2.gz AUXMTXDCNUDDCV-CYBMUJFWSA-N 0 3 249.785 3.669 20 30 BHEDHN CC[C@H](C)CN(C)CC#Cc1ccccc1Cl ZINC000676714616 487902546 /nfs/dbraw/zinc/90/25/46/487902546.db2.gz AUXMTXDCNUDDCV-ZDUSSCGKSA-N 0 3 249.785 3.669 20 30 BHEDHN C=CCN(CC=C)Cc1ccccc1C1CC1 ZINC000678120241 488199950 /nfs/dbraw/zinc/19/99/50/488199950.db2.gz CUSXSQSJZZHJKE-UHFFFAOYSA-N 0 3 227.351 3.738 20 30 BHEDHN C=C(C)CN(CC)Cc1nccc2ccccc21 ZINC000678121840 488200541 /nfs/dbraw/zinc/20/05/41/488200541.db2.gz KTYMGNUHXZSCTK-UHFFFAOYSA-N 0 3 240.350 3.633 20 30 BHEDHN C=C1CCN(Cc2ccccc2C2CC2)CC1 ZINC000678241186 488224424 /nfs/dbraw/zinc/22/44/24/488224424.db2.gz CDELZQBCQNBSRW-UHFFFAOYSA-N 0 3 227.351 3.716 20 30 BHEDHN C=C(CC)CN(Cc1ccc(C)o1)C1CC1 ZINC000678623663 488273305 /nfs/dbraw/zinc/27/33/05/488273305.db2.gz SEGIAKDRZJRCMW-UHFFFAOYSA-N 0 3 219.328 3.519 20 30 BHEDHN C=C(CC)CN1CCS[C@H](c2ccccc2)C1 ZINC000678624697 488273734 /nfs/dbraw/zinc/27/37/34/488273734.db2.gz LKCPQWOQHQXAEE-HNNXBMFYSA-N 0 3 247.407 3.743 20 30 BHEDHN C=C(CC)CN1CCS[C@@H](c2ccccc2)C1 ZINC000678624698 488273741 /nfs/dbraw/zinc/27/37/41/488273741.db2.gz LKCPQWOQHQXAEE-OAHLLOKOSA-N 0 3 247.407 3.743 20 30 BHEDHN C=C(CC)CN1CCc2cc(F)ccc2[C@H]1C ZINC000678624744 487632066 /nfs/dbraw/zinc/63/20/66/487632066.db2.gz PACABYVJMUGGPG-GFCCVEGCSA-N 0 3 233.330 3.711 20 30 BHEDHN C=C(CC)CN1CCc2cc(F)ccc2[C@@H]1C ZINC000678624745 487631949 /nfs/dbraw/zinc/63/19/49/487631949.db2.gz PACABYVJMUGGPG-LBPRGKRZSA-N 0 3 233.330 3.711 20 30 BHEDHN C=C(CC)CNC1(c2ccc(F)cc2)CCC1 ZINC000678624781 488273431 /nfs/dbraw/zinc/27/34/31/488273431.db2.gz FVJVUAJBYQYPFG-UHFFFAOYSA-N 0 3 233.330 3.761 20 30 BHEDHN C=CCCCC[C@H](C)N[C@H](C)c1ccccn1 ZINC000678697969 488276830 /nfs/dbraw/zinc/27/68/30/488276830.db2.gz LAWIVANNMGEVCP-UONOGXRCSA-N 0 3 232.371 3.867 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@H](C)c1ccccn1 ZINC000678697971 488276928 /nfs/dbraw/zinc/27/69/28/488276928.db2.gz LAWIVANNMGEVCP-ZIAGYGMSSA-N 0 3 232.371 3.867 20 30 BHEDHN C=CCCC[C@H](C)N1CCOc2ccccc2C1 ZINC000678715330 488277560 /nfs/dbraw/zinc/27/75/60/488277560.db2.gz NDFSEXNTJZSARH-AWEZNQCLSA-N 0 3 245.366 3.626 20 30 BHEDHN C=CCCC[C@@H](C)N1CCOc2ccccc2C1 ZINC000678715331 488277460 /nfs/dbraw/zinc/27/74/60/488277460.db2.gz NDFSEXNTJZSARH-CQSZACIVSA-N 0 3 245.366 3.626 20 30 BHEDHN CCC#C[C@H](C)N[C@@H](CC)c1ccc(OC)cc1 ZINC000678729569 488279058 /nfs/dbraw/zinc/27/90/58/488279058.db2.gz FIYFLNCFTIVCIO-BBRMVZONSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@@H](C)N[C@@H](CC)c1ccc(OC)cc1 ZINC000678729570 488279224 /nfs/dbraw/zinc/27/92/24/488279224.db2.gz FIYFLNCFTIVCIO-CJNGLKHVSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@@H](C)N[C@H](CC)c1ccc(OC)cc1 ZINC000678729571 488279171 /nfs/dbraw/zinc/27/91/71/488279171.db2.gz FIYFLNCFTIVCIO-CZUORRHYSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@H](C)N[C@H](CC)c1ccc(OC)cc1 ZINC000678729572 488278989 /nfs/dbraw/zinc/27/89/89/488278989.db2.gz FIYFLNCFTIVCIO-XJKSGUPXSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000678732899 488279806 /nfs/dbraw/zinc/27/98/06/488279806.db2.gz GWDOZJFWLMBDFC-KBPBESRZSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000678732900 488279593 /nfs/dbraw/zinc/27/95/93/488279593.db2.gz GWDOZJFWLMBDFC-KGLIPLIRSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OCC)cc1 ZINC000678732901 488279786 /nfs/dbraw/zinc/27/97/86/488279786.db2.gz GWDOZJFWLMBDFC-UONOGXRCSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OCC)cc1 ZINC000678732902 488279596 /nfs/dbraw/zinc/27/95/96/488279596.db2.gz GWDOZJFWLMBDFC-ZIAGYGMSSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@H](C)N[C@@H](C)c1cccc(OCC)c1 ZINC000678756382 488280736 /nfs/dbraw/zinc/28/07/36/488280736.db2.gz FBKJOZZFMYFTID-KBPBESRZSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@@H](C)N[C@@H](C)c1cccc(OCC)c1 ZINC000678756383 488280741 /nfs/dbraw/zinc/28/07/41/488280741.db2.gz FBKJOZZFMYFTID-KGLIPLIRSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@H](C)N[C@H](C)c1cccc(OCC)c1 ZINC000678756384 488280764 /nfs/dbraw/zinc/28/07/64/488280764.db2.gz FBKJOZZFMYFTID-UONOGXRCSA-N 0 3 245.366 3.538 20 30 BHEDHN CCC#C[C@@H](C)N[C@H](C)c1cccc(OCC)c1 ZINC000678756385 488280730 /nfs/dbraw/zinc/28/07/30/488280730.db2.gz FBKJOZZFMYFTID-ZIAGYGMSSA-N 0 3 245.366 3.538 20 30 BHEDHN C=C1CCN(CC(C)(C)c2ccccc2)CC1 ZINC000678823494 488288019 /nfs/dbraw/zinc/28/80/19/488288019.db2.gz SWTGLHJRZNOABD-UHFFFAOYSA-N 0 3 229.367 3.616 20 30 BHEDHN CCC#C[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000678893961 488294532 /nfs/dbraw/zinc/29/45/32/488294532.db2.gz XFMXMTLTNAJHFD-BBRMVZONSA-N 0 3 227.351 3.529 20 30 BHEDHN CCC#C[C@@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000678893962 488294496 /nfs/dbraw/zinc/29/44/96/488294496.db2.gz XFMXMTLTNAJHFD-CJNGLKHVSA-N 0 3 227.351 3.529 20 30 BHEDHN CCC#C[C@@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000678893963 488294632 /nfs/dbraw/zinc/29/46/32/488294632.db2.gz XFMXMTLTNAJHFD-CZUORRHYSA-N 0 3 227.351 3.529 20 30 BHEDHN CCC#C[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000678893964 488294672 /nfs/dbraw/zinc/29/46/72/488294672.db2.gz XFMXMTLTNAJHFD-XJKSGUPXSA-N 0 3 227.351 3.529 20 30 BHEDHN C=C(C)CN(C)Cc1ccccc1C1CC1 ZINC000679362122 487941772 /nfs/dbraw/zinc/94/17/72/487941772.db2.gz VUMHQUNKTIDYDC-UHFFFAOYSA-N 0 3 215.340 3.572 20 30 BHEDHN C=C(CC)CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679547260 488358022 /nfs/dbraw/zinc/35/80/22/488358022.db2.gz MRKBEUFZRYKCRA-GHMZBOCLSA-N 0 3 235.293 3.615 20 30 BHEDHN C=C(CC)CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679547261 488358163 /nfs/dbraw/zinc/35/81/63/488358163.db2.gz MRKBEUFZRYKCRA-MNOVXSKESA-N 0 3 235.293 3.615 20 30 BHEDHN C=C(CC)CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679547262 488358072 /nfs/dbraw/zinc/35/80/72/488358072.db2.gz MRKBEUFZRYKCRA-QWRGUYRKSA-N 0 3 235.293 3.615 20 30 BHEDHN C=C(CC)CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679547263 488358146 /nfs/dbraw/zinc/35/81/46/488358146.db2.gz MRKBEUFZRYKCRA-WDEREUQCSA-N 0 3 235.293 3.615 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](C)c1c(C)noc1C ZINC000680380546 487580778 /nfs/dbraw/zinc/58/07/78/487580778.db2.gz GTLRFLAMAGLELV-GHMZBOCLSA-N 0 3 236.359 3.687 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1c(C)noc1C ZINC000680380547 487580005 /nfs/dbraw/zinc/58/00/05/487580005.db2.gz GTLRFLAMAGLELV-MNOVXSKESA-N 0 3 236.359 3.687 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](C)c1c(C)noc1C ZINC000680380548 487579886 /nfs/dbraw/zinc/57/98/86/487579886.db2.gz GTLRFLAMAGLELV-QWRGUYRKSA-N 0 3 236.359 3.687 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](C)c1c(C)noc1C ZINC000680380549 487580599 /nfs/dbraw/zinc/58/05/99/487580599.db2.gz GTLRFLAMAGLELV-WDEREUQCSA-N 0 3 236.359 3.687 20 30 BHEDHN C=CCN(Cc1ccccc1C1CC1)C1CC1 ZINC000680481541 487603657 /nfs/dbraw/zinc/60/36/57/487603657.db2.gz MQQLOIBTTYXBMC-UHFFFAOYSA-N 0 3 227.351 3.714 20 30 BHEDHN C=C(C)CCN(Cc1ccc(C)o1)C1CC1 ZINC000681398033 487790798 /nfs/dbraw/zinc/79/07/98/487790798.db2.gz ASVHYLOAQOUFEB-UHFFFAOYSA-N 0 3 219.328 3.519 20 30 BHEDHN C=C(C)CCN1CCc2cc(F)ccc2[C@H]1C ZINC000681403195 487792534 /nfs/dbraw/zinc/79/25/34/487792534.db2.gz FPQKJOYVGRSFBZ-GFCCVEGCSA-N 0 3 233.330 3.711 20 30 BHEDHN C=C(C)CCN1CCc2cc(F)ccc2[C@@H]1C ZINC000681403202 487792046 /nfs/dbraw/zinc/79/20/46/487792046.db2.gz FPQKJOYVGRSFBZ-LBPRGKRZSA-N 0 3 233.330 3.711 20 30 BHEDHN C=C(C)CCN1CC[C@H]1c1cccc(F)c1 ZINC000681403571 487792546 /nfs/dbraw/zinc/79/25/46/487792546.db2.gz CQIMCTKRPAZIBN-AWEZNQCLSA-N 0 3 219.303 3.539 20 30 BHEDHN C=C(C)CCN1CC[C@@H]1c1cccc(F)c1 ZINC000681403582 487792112 /nfs/dbraw/zinc/79/21/12/487792112.db2.gz CQIMCTKRPAZIBN-CQSZACIVSA-N 0 3 219.303 3.539 20 30 BHEDHN CCC#C[C@@H](C)N1CCC(c2ccsc2)CC1 ZINC000681606247 487824370 /nfs/dbraw/zinc/82/43/70/487824370.db2.gz JXPOQSGSQCOVIA-CYBMUJFWSA-N 0 3 247.407 3.729 20 30 BHEDHN CCC#C[C@H](C)N1CCC(c2ccsc2)CC1 ZINC000681606256 487824297 /nfs/dbraw/zinc/82/42/97/487824297.db2.gz JXPOQSGSQCOVIA-ZDUSSCGKSA-N 0 3 247.407 3.729 20 30 BHEDHN C=C(C)CNCc1c(Cl)ccc2cccnc21 ZINC000682169837 487923942 /nfs/dbraw/zinc/92/39/42/487923942.db2.gz NMEVCUZIKSPTEY-UHFFFAOYSA-N 0 3 246.741 3.554 20 30 BHEDHN CCC(CC)N(CC#Cc1ccccc1)C1CC1 ZINC000683005835 488086954 /nfs/dbraw/zinc/08/69/54/488086954.db2.gz BESHFMAFCKQFQC-UHFFFAOYSA-N 0 3 241.378 3.691 20 30 BHEDHN C=CCCCCCN(C)Cc1cc(C)ccn1 ZINC000683010650 488090606 /nfs/dbraw/zinc/09/06/06/488090606.db2.gz JYZOBOIRFKPMLK-UHFFFAOYSA-N 0 3 232.371 3.568 20 30 BHEDHN C=CCCCCCN1CCOc2ccccc2C1 ZINC000683779564 488220045 /nfs/dbraw/zinc/22/00/45/488220045.db2.gz DHEZWUGMVJZJMR-UHFFFAOYSA-N 0 3 245.366 3.627 20 30 BHEDHN C=CCCCCCN(CC)Cc1ccoc1 ZINC000683781801 488219959 /nfs/dbraw/zinc/21/99/59/488219959.db2.gz MAWPYIPRCDNNPY-UHFFFAOYSA-N 0 3 221.344 3.848 20 30 BHEDHN C=C(C)CN(CC)Cc1cc2ccccc2[nH]1 ZINC000684019021 488255244 /nfs/dbraw/zinc/25/52/44/488255244.db2.gz GRBXFRAEDNLIKX-UHFFFAOYSA-N 0 3 228.339 3.566 20 30 BHEDHN C=CC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684023352 488256638 /nfs/dbraw/zinc/25/66/38/488256638.db2.gz ZJCVCTCOXVIIEK-UHFFFAOYSA-N 0 3 240.350 3.566 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1cc2ccccc2[nH]1 ZINC000684023614 488256706 /nfs/dbraw/zinc/25/67/06/488256706.db2.gz ANZZMOCXPIGUEU-HNNXBMFYSA-N 0 3 240.350 3.708 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1cc2ccccc2[nH]1 ZINC000684023615 488256836 /nfs/dbraw/zinc/25/68/36/488256836.db2.gz ANZZMOCXPIGUEU-OAHLLOKOSA-N 0 3 240.350 3.708 20 30 BHEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000685005049 487491198 /nfs/dbraw/zinc/49/11/98/487491198.db2.gz LWWCHYNWGBHJRU-OLZOCXBDSA-N 0 3 247.407 3.861 20 30 BHEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000685005050 487491363 /nfs/dbraw/zinc/49/13/63/487491363.db2.gz LWWCHYNWGBHJRU-STQMWFEESA-N 0 3 247.407 3.861 20 30 BHEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000685007359 487491539 /nfs/dbraw/zinc/49/15/39/487491539.db2.gz LWWCHYNWGBHJRU-CHWSQXEVSA-N 0 3 247.407 3.861 20 30 BHEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000685007360 487491505 /nfs/dbraw/zinc/49/15/05/487491505.db2.gz LWWCHYNWGBHJRU-QWHCGFSZSA-N 0 3 247.407 3.861 20 30 BHEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccccc1SC ZINC000685041140 487992588 /nfs/dbraw/zinc/99/25/88/487992588.db2.gz AHHMVNDPJCKJOJ-OLZOCXBDSA-N 0 3 247.407 3.861 20 30 BHEDHN CCC#C[C@H](C)N[C@@H](C)c1ccccc1SC ZINC000685041141 487992257 /nfs/dbraw/zinc/99/22/57/487992257.db2.gz AHHMVNDPJCKJOJ-STQMWFEESA-N 0 3 247.407 3.861 20 30 BHEDHN C=CCCCCCN(C)Cc1ccc(CC)nc1 ZINC000685418653 487519157 /nfs/dbraw/zinc/51/91/57/487519157.db2.gz XMADPEKJHNYYDD-UHFFFAOYSA-N 0 3 246.398 3.822 20 30 BHEDHN CCCC[C@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000685612226 487564064 /nfs/dbraw/zinc/56/40/64/487564064.db2.gz XTWQWCZGWATXLE-AWEZNQCLSA-N 0 3 247.357 3.688 20 30 BHEDHN CCCC[C@@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000685612227 487564453 /nfs/dbraw/zinc/56/44/53/487564453.db2.gz XTWQWCZGWATXLE-CQSZACIVSA-N 0 3 247.357 3.688 20 30 BHEDHN C=CC(C)(C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000701883636 712032138 /nfs/dbraw/zinc/03/21/38/712032138.db2.gz PGBNPLUGLAMMAA-GFCCVEGCSA-N 0 3 233.355 3.645 20 30 BHEDHN C=CC(C)(C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000701883639 712032030 /nfs/dbraw/zinc/03/20/30/712032030.db2.gz PGBNPLUGLAMMAA-LBPRGKRZSA-N 0 3 233.355 3.645 20 30 BHEDHN C#C[C@H](NCc1ccc(SC)cc1)C(C)(C)C ZINC000702226732 712043301 /nfs/dbraw/zinc/04/33/01/712043301.db2.gz DWGYGKHGKARQOZ-AWEZNQCLSA-N 0 3 247.407 3.546 20 30 BHEDHN C#C[C@@H](NCc1ccc(SC)cc1)C(C)(C)C ZINC000702226733 712043392 /nfs/dbraw/zinc/04/33/92/712043392.db2.gz DWGYGKHGKARQOZ-CQSZACIVSA-N 0 3 247.407 3.546 20 30 BHEDHN C#C[C@H](NCc1coc2ccccc12)C(C)(C)C ZINC000702244073 712041523 /nfs/dbraw/zinc/04/15/23/712041523.db2.gz GFXRNGSLRACCKJ-HNNXBMFYSA-N 0 3 241.334 3.570 20 30 BHEDHN C#C[C@@H](NCc1coc2ccccc12)C(C)(C)C ZINC000702244077 712041414 /nfs/dbraw/zinc/04/14/14/712041414.db2.gz GFXRNGSLRACCKJ-OAHLLOKOSA-N 0 3 241.334 3.570 20 30 BHEDHN C#C[C@H](NCc1cc2ccccc2o1)C(C)(C)C ZINC000702248319 712041857 /nfs/dbraw/zinc/04/18/57/712041857.db2.gz WEJLPWXCSACZGB-HNNXBMFYSA-N 0 3 241.334 3.570 20 30 BHEDHN C#C[C@@H](NCc1cc2ccccc2o1)C(C)(C)C ZINC000702248321 712041705 /nfs/dbraw/zinc/04/17/05/712041705.db2.gz WEJLPWXCSACZGB-OAHLLOKOSA-N 0 3 241.334 3.570 20 30 BHEDHN CCCCCCCNCc1nccn1C(C)C ZINC000703724558 712085751 /nfs/dbraw/zinc/08/57/51/712085751.db2.gz WFQTYRHFMYXGBS-UHFFFAOYSA-N 0 3 237.391 3.524 20 30 BHEDHN C=CCCC(C)(C)CNCc1nc(C)cs1 ZINC000703983699 712098164 /nfs/dbraw/zinc/09/81/64/712098164.db2.gz BBNIRPJKEPYSKG-UHFFFAOYSA-N 0 3 238.400 3.534 20 30 BHEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000709352177 712220170 /nfs/dbraw/zinc/22/01/70/712220170.db2.gz CBXADQHZHVGNNQ-DZGCQCFKSA-N 0 3 245.366 3.617 20 30 BHEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000709352180 712220242 /nfs/dbraw/zinc/22/02/42/712220242.db2.gz CBXADQHZHVGNNQ-HIFRSBDPSA-N 0 3 245.366 3.617 20 30 BHEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000709352184 712220151 /nfs/dbraw/zinc/22/01/51/712220151.db2.gz CBXADQHZHVGNNQ-UKRRQHHQSA-N 0 3 245.366 3.617 20 30 BHEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000709352187 712220163 /nfs/dbraw/zinc/22/01/63/712220163.db2.gz CBXADQHZHVGNNQ-ZFWWWQNUSA-N 0 3 245.366 3.617 20 30 BHEDHN CCC(C)(C)CCN(CCC#N)CC(C)C ZINC000711257277 712291723 /nfs/dbraw/zinc/29/17/23/712291723.db2.gz URVFMQBGMFVULB-UHFFFAOYSA-N 0 3 224.392 3.684 20 30 BHEDHN C=CCCCCCNCc1nc(C)c(C)s1 ZINC000719573277 712811593 /nfs/dbraw/zinc/81/15/93/712811593.db2.gz AUEKLYBINSESQJ-UHFFFAOYSA-N 0 3 238.400 3.596 20 30 BHEDHN C=C1CCC(CN[C@H](C)c2cscn2)CC1 ZINC000724486378 710741295 /nfs/dbraw/zinc/74/12/95/710741295.db2.gz PEOKIQMZHHFVBB-LLVKDONJSA-N 0 3 236.384 3.540 20 30 BHEDHN C=C1CCC(CN[C@@H](C)c2cscn2)CC1 ZINC000724486380 710742476 /nfs/dbraw/zinc/74/24/76/710742476.db2.gz PEOKIQMZHHFVBB-NSHDSACASA-N 0 3 236.384 3.540 20 30 BHEDHN C=C1CCC(CN[C@H](C)c2nccs2)CC1 ZINC000724547540 711589206 /nfs/dbraw/zinc/58/92/06/711589206.db2.gz QFFXCNIGEQXNGC-LLVKDONJSA-N 0 3 236.384 3.540 20 30 BHEDHN C=C1CCC(CN[C@@H](C)c2nccs2)CC1 ZINC000724547578 711589437 /nfs/dbraw/zinc/58/94/37/711589437.db2.gz QFFXCNIGEQXNGC-NSHDSACASA-N 0 3 236.384 3.540 20 30 BHEDHN C[C@H](C=Nn1cnc2ccccc21)c1ccccc1 ZINC000725849471 582907712 /nfs/dbraw/zinc/90/77/12/582907712.db2.gz IZVQMBQYKFZNML-CYBMUJFWSA-N 0 3 249.317 3.674 20 30 BHEDHN C[C@@H](C=Nn1cnc2ccccc21)c1ccccc1 ZINC000725849472 582907660 /nfs/dbraw/zinc/90/76/60/582907660.db2.gz IZVQMBQYKFZNML-ZDUSSCGKSA-N 0 3 249.317 3.674 20 30 BHEDHN C=CCN(Cc1ccc(OC(C)C)cc1)C(C)C ZINC000726596817 583362492 /nfs/dbraw/zinc/36/24/92/583362492.db2.gz UYZVGETZLSNEOH-UHFFFAOYSA-N 0 3 247.382 3.870 20 30 BHEDHN C=C(Cl)CN1CCC2(CCCCC2)CC1 ZINC000726692764 583368205 /nfs/dbraw/zinc/36/82/05/583368205.db2.gz KEIDZEQFEPOZHS-UHFFFAOYSA-N 0 3 227.779 3.785 20 30 BHEDHN C=C(Cl)CN([C@H](C)[C@@H](C)CC)C1CC1 ZINC000729544221 584017926 /nfs/dbraw/zinc/01/79/26/584017926.db2.gz BOKJFGHVLGIBAP-GXSJLCMTSA-N 0 3 215.768 3.638 20 30 BHEDHN C=C(Cl)CN([C@@H](C)[C@H](C)CC)C1CC1 ZINC000729544222 584017917 /nfs/dbraw/zinc/01/79/17/584017917.db2.gz BOKJFGHVLGIBAP-KOLCDFICSA-N 0 3 215.768 3.638 20 30 BHEDHN C=C(Cl)CN([C@H](C)[C@H](C)CC)C1CC1 ZINC000729544223 584017993 /nfs/dbraw/zinc/01/79/93/584017993.db2.gz BOKJFGHVLGIBAP-MWLCHTKSSA-N 0 3 215.768 3.638 20 30 BHEDHN C=C(Cl)CN([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000729544224 584018197 /nfs/dbraw/zinc/01/81/97/584018197.db2.gz BOKJFGHVLGIBAP-ONGXEEELSA-N 0 3 215.768 3.638 20 30 BHEDHN C=C(C)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846459 584929518 /nfs/dbraw/zinc/92/95/18/584929518.db2.gz ZUTSIKZOZYOQDC-UHFFFAOYSA-N 0 3 245.366 3.713 20 30 BHEDHN C=C(C)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846459 584929517 /nfs/dbraw/zinc/92/95/17/584929517.db2.gz ZUTSIKZOZYOQDC-UHFFFAOYSA-N 0 3 245.366 3.713 20 30 BHEDHN C=C(Cl)CN1CCCC2(CCCCC2)C1 ZINC000732412735 584936909 /nfs/dbraw/zinc/93/69/09/584936909.db2.gz VRAPMOLGTGTWHI-UHFFFAOYSA-N 0 3 227.779 3.785 20 30 BHEDHN C=CCN(C/C=C\Cl)CC1CCCCC1 ZINC000732695810 584939938 /nfs/dbraw/zinc/93/99/38/584939938.db2.gz PBCLCBBYWFKQOE-TWGQIWQCSA-N 0 3 227.779 3.807 20 30 BHEDHN C=C(Cl)CN1CCC[C@H]1Cc1ccccc1C ZINC000734211592 584959396 /nfs/dbraw/zinc/95/93/96/584959396.db2.gz VUDAOCCDIURCJW-HNNXBMFYSA-N 0 3 249.785 3.754 20 30 BHEDHN C=C(Cl)CN1CCC[C@@H]1Cc1ccccc1C ZINC000734211593 584959419 /nfs/dbraw/zinc/95/94/19/584959419.db2.gz VUDAOCCDIURCJW-OAHLLOKOSA-N 0 3 249.785 3.754 20 30 BHEDHN C=C(Cl)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000734853209 584968806 /nfs/dbraw/zinc/96/88/06/584968806.db2.gz WAXFEQJWYIJHCA-GFCCVEGCSA-N 0 3 229.795 3.887 20 30 BHEDHN C=C(Cl)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000734853210 584968933 /nfs/dbraw/zinc/96/89/33/584968933.db2.gz WAXFEQJWYIJHCA-LBPRGKRZSA-N 0 3 229.795 3.887 20 30 BHEDHN C=CCCCN(CC)Cc1ccccc1F ZINC000735490333 584978112 /nfs/dbraw/zinc/97/81/12/584978112.db2.gz GKTPHDJSXZRWDA-UHFFFAOYSA-N 0 3 221.319 3.614 20 30 BHEDHN C=CCCCN(CC)Cc1ccc(F)cc1F ZINC000735490921 584977948 /nfs/dbraw/zinc/97/79/48/584977948.db2.gz VTEXRLCTEMEHGH-UHFFFAOYSA-N 0 3 239.309 3.753 20 30 BHEDHN C=CCN(CCSc1ccccc1)C(C)C ZINC000735491390 584978036 /nfs/dbraw/zinc/97/80/36/584978036.db2.gz JZDXNZZIBUJEKK-UHFFFAOYSA-N 0 3 235.396 3.675 20 30 BHEDHN C=CCN(Cc1ccc2ccccc2n1)C(C)C ZINC000736308000 584996936 /nfs/dbraw/zinc/99/69/36/584996936.db2.gz DIMJKUSOIRERPO-UHFFFAOYSA-N 0 3 240.350 3.631 20 30 BHEDHN C=C(Cl)CN1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000738876572 585053942 /nfs/dbraw/zinc/05/39/42/585053942.db2.gz KSJALVAOHSINNV-KBPBESRZSA-N 0 3 249.785 3.925 20 30 BHEDHN C=C(Cl)CN1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000738876574 585053894 /nfs/dbraw/zinc/05/38/94/585053894.db2.gz KSJALVAOHSINNV-KGLIPLIRSA-N 0 3 249.785 3.925 20 30 BHEDHN C=C(Cl)CN1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000738876575 585053815 /nfs/dbraw/zinc/05/38/15/585053815.db2.gz KSJALVAOHSINNV-UONOGXRCSA-N 0 3 249.785 3.925 20 30 BHEDHN C=C(Cl)CN1C[C@H](c2ccccc2C)C[C@H]1C ZINC000738876576 585053825 /nfs/dbraw/zinc/05/38/25/585053825.db2.gz KSJALVAOHSINNV-ZIAGYGMSSA-N 0 3 249.785 3.925 20 30 BHEDHN C=CCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000739915505 585085538 /nfs/dbraw/zinc/08/55/38/585085538.db2.gz PWPBEYVONNMPAG-AWEZNQCLSA-N 0 3 237.293 3.678 20 30 BHEDHN C=CCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000739915506 585085666 /nfs/dbraw/zinc/08/56/66/585085666.db2.gz PWPBEYVONNMPAG-CQSZACIVSA-N 0 3 237.293 3.678 20 30 BHEDHN CCCCCCCN(C)Cc1ccco1 ZINC000740873956 644558610 /nfs/dbraw/zinc/55/86/10/644558610.db2.gz QLZFCZVJKRCWJG-UHFFFAOYSA-N 0 3 209.333 3.682 20 30 BHEDHN CCCCCCCN(C)Cc1ccoc1 ZINC000740875335 644562078 /nfs/dbraw/zinc/56/20/78/644562078.db2.gz TZPJYYAQFLDYAD-UHFFFAOYSA-N 0 3 209.333 3.682 20 30 BHEDHN CCCCCCN(CCC#N)CC(C)(C)C ZINC000740877244 644560858 /nfs/dbraw/zinc/56/08/58/644560858.db2.gz IAJUVLZKYQHXPI-UHFFFAOYSA-N 0 3 224.392 3.828 20 30 BHEDHN CCCCCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000740878034 585107631 /nfs/dbraw/zinc/10/76/31/585107631.db2.gz RIIMFVGTCKOQNV-UHFFFAOYSA-N 0 3 235.371 3.794 20 30 BHEDHN CCCCCCC[N@H+](C)Cc1ccccc1[O-] ZINC000740878034 585107630 /nfs/dbraw/zinc/10/76/30/585107630.db2.gz RIIMFVGTCKOQNV-UHFFFAOYSA-N 0 3 235.371 3.794 20 30 BHEDHN CCCCCC(CCCCC)=Nn1cnnc1 ZINC000743419320 585136819 /nfs/dbraw/zinc/13/68/19/585136819.db2.gz SOYHVOCWPCNTEG-UHFFFAOYSA-N 0 3 236.363 3.643 20 30 BHEDHN C#CCN(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000743858982 585141310 /nfs/dbraw/zinc/14/13/10/585141310.db2.gz IIOGNEZZSADXSE-HNNXBMFYSA-N 0 3 249.357 3.980 20 30 BHEDHN C#CCN(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000743858986 585141490 /nfs/dbraw/zinc/14/14/90/585141490.db2.gz IIOGNEZZSADXSE-OAHLLOKOSA-N 0 3 249.357 3.980 20 30 BHEDHN C#CCN(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000746101944 585163196 /nfs/dbraw/zinc/16/31/96/585163196.db2.gz UUBKRFCHPOCODS-INIZCTEOSA-N 0 3 249.357 3.883 20 30 BHEDHN C#CCN(Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000746101945 585163288 /nfs/dbraw/zinc/16/32/88/585163288.db2.gz UUBKRFCHPOCODS-MRXNPFEDSA-N 0 3 249.357 3.883 20 30 BHEDHN C=CCN(CC)Cc1ccc(C(F)(F)F)cc1 ZINC000746140506 585163840 /nfs/dbraw/zinc/16/38/40/585163840.db2.gz VEWAZTMHIYPNBA-UHFFFAOYSA-N 0 3 243.272 3.713 20 30 BHEDHN C#CCN(Cc1cccs1)C1CCCCC1 ZINC000746147999 585163703 /nfs/dbraw/zinc/16/37/03/585163703.db2.gz RKNBOLSWSOZJHI-UHFFFAOYSA-N 0 3 233.380 3.516 20 30 BHEDHN C=CCN(CC#Cc1cccc(Cl)c1)C(C)C ZINC000746449891 585167984 /nfs/dbraw/zinc/16/79/84/585167984.db2.gz KALJKHWHAZFQFW-UHFFFAOYSA-N 0 3 247.769 3.588 20 30 BHEDHN C#CCN(CC)C1c2ccccc2-c2ccccc21 ZINC000746458003 585168315 /nfs/dbraw/zinc/16/83/15/585168315.db2.gz ZGSKREKGSLWCKG-UHFFFAOYSA-N 0 3 247.341 3.712 20 30 BHEDHN C=C(Cl)CN(CC(C)C)C1CCCC1 ZINC000746657307 584884872 /nfs/dbraw/zinc/88/48/72/584884872.db2.gz FAWQYGRGGCIQAC-UHFFFAOYSA-N 0 3 215.768 3.640 20 30 BHEDHN C=C(Cl)CN1CCC[C@@H]1CC(C)(C)C ZINC000747110707 583337613 /nfs/dbraw/zinc/33/76/13/583337613.db2.gz NFXUEVCSDFQNRS-LLVKDONJSA-N 0 3 215.768 3.640 20 30 BHEDHN C=C(Cl)CN1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000747532185 583363674 /nfs/dbraw/zinc/36/36/74/583363674.db2.gz VGLFFBCPIPQTMA-DZGCQCFKSA-N 0 3 249.785 3.692 20 30 BHEDHN C=C(Cl)CN1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000747532186 583362953 /nfs/dbraw/zinc/36/29/53/583362953.db2.gz VGLFFBCPIPQTMA-HIFRSBDPSA-N 0 3 249.785 3.692 20 30 BHEDHN C=C(Cl)CN1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000747532187 583363088 /nfs/dbraw/zinc/36/30/88/583363088.db2.gz VGLFFBCPIPQTMA-UKRRQHHQSA-N 0 3 249.785 3.692 20 30 BHEDHN C=C(Cl)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000747532188 583363225 /nfs/dbraw/zinc/36/32/25/583363225.db2.gz VGLFFBCPIPQTMA-ZFWWWQNUSA-N 0 3 249.785 3.692 20 30 BHEDHN CCCCCCCN(CCC#N)CC1CC1 ZINC000747963940 585186486 /nfs/dbraw/zinc/18/64/86/585186486.db2.gz ZAULIJCLINOBSD-UHFFFAOYSA-N 0 3 222.376 3.582 20 30 BHEDHN CCCCCCCN(C)Cc1cccc(O)c1 ZINC000748817164 585196811 /nfs/dbraw/zinc/19/68/11/585196811.db2.gz KYDKTZIAECOURF-UHFFFAOYSA-N 0 3 235.371 3.794 20 30 BHEDHN C=C(Cl)CN(C)C1CCCCCCC1 ZINC000748983099 585197867 /nfs/dbraw/zinc/19/78/67/585197867.db2.gz ZNRIUDCRJPNQLA-UHFFFAOYSA-N 0 3 215.768 3.784 20 30 BHEDHN C=C(Cl)CN(C(C)C)C1CCCCC1 ZINC000749066122 585199154 /nfs/dbraw/zinc/19/91/54/585199154.db2.gz DVKKAWSHOOJYKV-UHFFFAOYSA-N 0 3 215.768 3.782 20 30 BHEDHN C=C(Cl)CN(C)C1CCC(CC)CC1 ZINC000749116252 585199793 /nfs/dbraw/zinc/19/97/93/585199793.db2.gz MJABVTMNFFYRPD-UHFFFAOYSA-N 0 3 215.768 3.640 20 30 BHEDHN C=CCN(CC#Cc1ccc(Cl)cc1)C(C)C ZINC000750039582 585209730 /nfs/dbraw/zinc/20/97/30/585209730.db2.gz QOFNPCAZAUIKCY-UHFFFAOYSA-N 0 3 247.769 3.588 20 30 BHEDHN C=C(C)CN1CCC(c2cccc(F)c2)CC1 ZINC000752090464 585241866 /nfs/dbraw/zinc/24/18/66/585241866.db2.gz ZCWPOMOVBWMSFZ-UHFFFAOYSA-N 0 3 233.330 3.581 20 30 BHEDHN C=C(C)CN1CCC(c2ccc(F)cc2)CC1 ZINC000752093984 585242257 /nfs/dbraw/zinc/24/22/57/585242257.db2.gz OPJZYUSROGRLQV-UHFFFAOYSA-N 0 3 233.330 3.581 20 30 BHEDHN CCCCCCCN(C)Cc1cccc(C)n1 ZINC000752298254 585244809 /nfs/dbraw/zinc/24/48/09/585244809.db2.gz MDPWLXDDGKLVHE-UHFFFAOYSA-N 0 3 234.387 3.792 20 30 BHEDHN C#CCCN1CCC[C@H]1c1ccccc1Cl ZINC000752856001 585250836 /nfs/dbraw/zinc/25/08/36/585250836.db2.gz NSQLNVASFGYSDE-AWEZNQCLSA-N 0 3 233.742 3.500 20 30 BHEDHN C#CCCN1CCC[C@@H]1c1ccccc1Cl ZINC000752856005 585250724 /nfs/dbraw/zinc/25/07/24/585250724.db2.gz NSQLNVASFGYSDE-CQSZACIVSA-N 0 3 233.742 3.500 20 30 BHEDHN C=C[C@@H](C)N[C@H](C)c1cc(C)c(OC)cc1C ZINC000753671313 585266182 /nfs/dbraw/zinc/26/61/82/585266182.db2.gz WUVWKEIWZZGDCU-CHWSQXEVSA-N 0 3 233.355 3.537 20 30 BHEDHN C=C[C@@H](C)N[C@@H](C)c1cc(C)c(OC)cc1C ZINC000753671314 585265978 /nfs/dbraw/zinc/26/59/78/585265978.db2.gz WUVWKEIWZZGDCU-OLZOCXBDSA-N 0 3 233.355 3.537 20 30 BHEDHN C=C[C@H](C)N[C@H](C)c1cc(C)c(OC)cc1C ZINC000753671315 585265801 /nfs/dbraw/zinc/26/58/01/585265801.db2.gz WUVWKEIWZZGDCU-QWHCGFSZSA-N 0 3 233.355 3.537 20 30 BHEDHN C=C[C@H](C)N[C@@H](C)c1cc(C)c(OC)cc1C ZINC000753671316 585265888 /nfs/dbraw/zinc/26/58/88/585265888.db2.gz WUVWKEIWZZGDCU-STQMWFEESA-N 0 3 233.355 3.537 20 30 BHEDHN C=CCNCc1ccc2oc3ccccc3c2c1 ZINC000754353554 585282757 /nfs/dbraw/zinc/28/27/57/585282757.db2.gz IWDFHFYPTGBVTH-UHFFFAOYSA-N 0 3 237.302 3.862 20 30 BHEDHN C[C@@H](NCCCC#N)c1csc2ccccc12 ZINC000754744255 585290073 /nfs/dbraw/zinc/29/00/73/585290073.db2.gz SFKYKHPQKCUYAZ-LLVKDONJSA-N 0 3 244.363 3.856 20 30 BHEDHN C[C@H](NCCCC#N)c1csc2ccccc12 ZINC000754744257 585290200 /nfs/dbraw/zinc/29/02/00/585290200.db2.gz SFKYKHPQKCUYAZ-NSHDSACASA-N 0 3 244.363 3.856 20 30 BHEDHN CC(C)CN(CCC#N)CCCC1CCCC1 ZINC000755948367 585311327 /nfs/dbraw/zinc/31/13/27/585311327.db2.gz IKYBJMWCBDDQCC-UHFFFAOYSA-N 0 3 236.403 3.828 20 30 BHEDHN C=C(Cl)CN(C)C1CCC(C)(C)CC1 ZINC000756056582 585313891 /nfs/dbraw/zinc/31/38/91/585313891.db2.gz DQHMHBOAVYQTTH-UHFFFAOYSA-N 0 3 215.768 3.640 20 30 BHEDHN C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756713894 585322577 /nfs/dbraw/zinc/32/25/77/585322577.db2.gz WGXXQBUILRSSBQ-JBLDHEPKSA-N 0 3 249.329 3.634 20 30 BHEDHN C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756713895 585322696 /nfs/dbraw/zinc/32/26/96/585322696.db2.gz WGXXQBUILRSSBQ-JFGNBEQYSA-N 0 3 249.329 3.634 20 30 BHEDHN C=CC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756713896 585322563 /nfs/dbraw/zinc/32/25/63/585322563.db2.gz WGXXQBUILRSSBQ-NHCYSSNCSA-N 0 3 249.329 3.634 20 30 BHEDHN C=CC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756713897 585322544 /nfs/dbraw/zinc/32/25/44/585322544.db2.gz WGXXQBUILRSSBQ-SCVCMEIPSA-N 0 3 249.329 3.634 20 30 BHEDHN C#CCN(C/C=C/c1ccccc1)C1CCCC1 ZINC000756912488 585325040 /nfs/dbraw/zinc/32/50/40/585325040.db2.gz XKDBXNCOLNWPAI-DHZHZOJOSA-N 0 3 239.362 3.578 20 30 BHEDHN C#CCN(C/C=C\c1ccccc1)C1CCCC1 ZINC000756912489 585325106 /nfs/dbraw/zinc/32/51/06/585325106.db2.gz XKDBXNCOLNWPAI-FLIBITNWSA-N 0 3 239.362 3.578 20 30 BHEDHN C#CC[C@@H](NCc1ccc(C)cc1)c1ccccc1 ZINC000756994969 585326077 /nfs/dbraw/zinc/32/60/77/585326077.db2.gz AFVARVQUNPCYPJ-GOSISDBHSA-N 0 3 249.357 3.849 20 30 BHEDHN C#CC[C@H](NCc1ccc(C)cc1)c1ccccc1 ZINC000756994970 585326067 /nfs/dbraw/zinc/32/60/67/585326067.db2.gz AFVARVQUNPCYPJ-SFHVURJKSA-N 0 3 249.357 3.849 20 30 BHEDHN C#CC[C@@H](NCc1cccc(C)c1)c1ccccc1 ZINC000756995861 585326287 /nfs/dbraw/zinc/32/62/87/585326287.db2.gz KPRNMOZDVCLMCY-GOSISDBHSA-N 0 3 249.357 3.849 20 30 BHEDHN C#CC[C@H](NCc1cccc(C)c1)c1ccccc1 ZINC000756995862 585326248 /nfs/dbraw/zinc/32/62/48/585326248.db2.gz KPRNMOZDVCLMCY-SFHVURJKSA-N 0 3 249.357 3.849 20 30 BHEDHN C#CC[C@@H](NCc1ccccc1C)c1ccccc1 ZINC000756995908 585326296 /nfs/dbraw/zinc/32/62/96/585326296.db2.gz MGKKVDDZKSTTLH-GOSISDBHSA-N 0 3 249.357 3.849 20 30 BHEDHN C#CC[C@H](NCc1ccccc1C)c1ccccc1 ZINC000756995909 585326171 /nfs/dbraw/zinc/32/61/71/585326171.db2.gz MGKKVDDZKSTTLH-SFHVURJKSA-N 0 3 249.357 3.849 20 30 BHEDHN C#CC[C@H](NCc1cccs1)c1ccccc1 ZINC000756996837 585326123 /nfs/dbraw/zinc/32/61/23/585326123.db2.gz SEAPBLBPFOJUBU-HNNXBMFYSA-N 0 3 241.359 3.602 20 30 BHEDHN C#CC[C@@H](NCc1cccs1)c1ccccc1 ZINC000756996838 585326192 /nfs/dbraw/zinc/32/61/92/585326192.db2.gz SEAPBLBPFOJUBU-OAHLLOKOSA-N 0 3 241.359 3.602 20 30 BHEDHN CCCCCCCN(CC)Cc1ccccn1 ZINC000757844423 585345932 /nfs/dbraw/zinc/34/59/32/585345932.db2.gz ZRGLTUXNHHVOLO-UHFFFAOYSA-N 0 3 234.387 3.874 20 30 BHEDHN CCCCCC[C@@H]1CCC[C@@H]1NC[C@H](C)C#N ZINC000757906227 585346646 /nfs/dbraw/zinc/34/66/46/585346646.db2.gz LOWURFBQXZKTSO-KFWWJZLASA-N 0 3 236.403 3.875 20 30 BHEDHN CCCCCC[C@@H]1CCC[C@H]1NC[C@H](C)C#N ZINC000757906233 585346662 /nfs/dbraw/zinc/34/66/62/585346662.db2.gz LOWURFBQXZKTSO-RBSFLKMASA-N 0 3 236.403 3.875 20 30 BHEDHN CCCCCC[C@@H]1CCC[C@H]1NC[C@@H](C)C#N ZINC000757906236 585346825 /nfs/dbraw/zinc/34/68/25/585346825.db2.gz LOWURFBQXZKTSO-RRFJBIMHSA-N 0 3 236.403 3.875 20 30 BHEDHN CCCCCC[C@@H]1CCC[C@@H]1NC[C@@H](C)C#N ZINC000757906238 585346700 /nfs/dbraw/zinc/34/67/00/585346700.db2.gz LOWURFBQXZKTSO-ZNMIVQPWSA-N 0 3 236.403 3.875 20 30 BHEDHN C=C(Cl)CN1CCCC12CCCCC2 ZINC000759397677 585372053 /nfs/dbraw/zinc/37/20/53/585372053.db2.gz YEILQRRSNACIJY-UHFFFAOYSA-N 0 3 213.752 3.538 20 30 BHEDHN C#CCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000760808473 585397632 /nfs/dbraw/zinc/39/76/32/585397632.db2.gz KLPIKQICJIALRC-AWEZNQCLSA-N 0 3 233.742 3.500 20 30 BHEDHN C#CCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000760808477 585397448 /nfs/dbraw/zinc/39/74/48/585397448.db2.gz KLPIKQICJIALRC-CQSZACIVSA-N 0 3 233.742 3.500 20 30 BHEDHN C#CCCN(CCCC)[C@@H](C)c1ccc(C)o1 ZINC000760818530 585397922 /nfs/dbraw/zinc/39/79/22/585397922.db2.gz GCPIXUCQNZNUCQ-AWEZNQCLSA-N 0 3 233.355 3.774 20 30 BHEDHN C#CCCN(CCCC)[C@H](C)c1ccc(C)o1 ZINC000760818532 585397942 /nfs/dbraw/zinc/39/79/42/585397942.db2.gz GCPIXUCQNZNUCQ-CQSZACIVSA-N 0 3 233.355 3.774 20 30 BHEDHN C#CCCN1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000760841302 585398803 /nfs/dbraw/zinc/39/88/03/585398803.db2.gz NLKNYEGSYYHSGE-DZGCQCFKSA-N 0 3 245.366 3.638 20 30 BHEDHN C#CCCN1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 ZINC000760841304 585398790 /nfs/dbraw/zinc/39/87/90/585398790.db2.gz NLKNYEGSYYHSGE-HIFRSBDPSA-N 0 3 245.366 3.638 20 30 BHEDHN C#CCCN1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000760841305 585398950 /nfs/dbraw/zinc/39/89/50/585398950.db2.gz NLKNYEGSYYHSGE-UKRRQHHQSA-N 0 3 245.366 3.638 20 30 BHEDHN C#CCCN1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC000760841307 585398873 /nfs/dbraw/zinc/39/88/73/585398873.db2.gz NLKNYEGSYYHSGE-ZFWWWQNUSA-N 0 3 245.366 3.638 20 30 BHEDHN CCCCCCCN1CC[C@@H](C(F)(F)F)C1 ZINC000761039819 585403793 /nfs/dbraw/zinc/40/37/93/585403793.db2.gz FQNBAOYTGFAOTL-LLVKDONJSA-N 0 3 237.309 3.841 20 30 BHEDHN CCCCCCCN1CC[C@H](C(F)(F)F)C1 ZINC000761039822 585403655 /nfs/dbraw/zinc/40/36/55/585403655.db2.gz FQNBAOYTGFAOTL-NSHDSACASA-N 0 3 237.309 3.841 20 30 BHEDHN CCCCCCCN1CC2(C1)CC(F)(F)C2 ZINC000761115254 585410640 /nfs/dbraw/zinc/41/06/40/585410640.db2.gz QESUIBPZPNDIEO-UHFFFAOYSA-N 0 3 231.330 3.688 20 30 BHEDHN C#CCN[C@H](CCc1ccccc1)c1ccccc1 ZINC000764600144 585468710 /nfs/dbraw/zinc/46/87/10/585468710.db2.gz WKVLTYMVKLBQFJ-GOSISDBHSA-N 0 3 249.357 3.583 20 30 BHEDHN C#CCN[C@@H](CCc1ccccc1)c1ccccc1 ZINC000764600145 585468515 /nfs/dbraw/zinc/46/85/15/585468515.db2.gz WKVLTYMVKLBQFJ-SFHVURJKSA-N 0 3 249.357 3.583 20 30 BHEDHN C=C(C)CN(C)Cc1ccc(N(CC)CC)cc1 ZINC000764817229 585474651 /nfs/dbraw/zinc/47/46/51/585474651.db2.gz SKMGGOPKQOCPCN-UHFFFAOYSA-N 0 3 246.398 3.541 20 30 BHEDHN C#CCN[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000765067657 585480635 /nfs/dbraw/zinc/48/06/35/585480635.db2.gz NSZXNNQZESFPMZ-LLVKDONJSA-N 0 3 243.737 3.777 20 30 BHEDHN C#CCN[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000765067659 585480666 /nfs/dbraw/zinc/48/06/66/585480666.db2.gz NSZXNNQZESFPMZ-NSHDSACASA-N 0 3 243.737 3.777 20 30 BHEDHN C=C(Cl)CN[C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000766329166 585501159 /nfs/dbraw/zinc/50/11/59/585501159.db2.gz JHBDIARJHPLSQV-KBPBESRZSA-N 0 3 249.785 3.911 20 30 BHEDHN C=C(Cl)CN[C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000766329175 585501327 /nfs/dbraw/zinc/50/13/27/585501327.db2.gz JHBDIARJHPLSQV-KGLIPLIRSA-N 0 3 249.785 3.911 20 30 BHEDHN C=C(Cl)CN[C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000766329179 585501274 /nfs/dbraw/zinc/50/12/74/585501274.db2.gz JHBDIARJHPLSQV-UONOGXRCSA-N 0 3 249.785 3.911 20 30 BHEDHN C=C(Cl)CN[C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000766329182 585501260 /nfs/dbraw/zinc/50/12/60/585501260.db2.gz JHBDIARJHPLSQV-ZIAGYGMSSA-N 0 3 249.785 3.911 20 30 BHEDHN C#CCCCN1CCC[C@H]1c1ccccc1Cl ZINC000766894827 585509593 /nfs/dbraw/zinc/50/95/93/585509593.db2.gz FPUPSFJJCWCAGW-HNNXBMFYSA-N 0 3 247.769 3.890 20 30 BHEDHN C#CCCCN1CCC[C@@H]1c1ccccc1Cl ZINC000766894850 585508970 /nfs/dbraw/zinc/50/89/70/585508970.db2.gz FPUPSFJJCWCAGW-OAHLLOKOSA-N 0 3 247.769 3.890 20 30 BHEDHN C#CCCCN(CC)Cc1ccc(Cl)s1 ZINC000766895255 585509254 /nfs/dbraw/zinc/50/92/54/585509254.db2.gz CIBHBMGIMYSEQL-UHFFFAOYSA-N 0 3 241.787 3.637 20 30 BHEDHN C#CCCCN(CC)Cc1ccccc1Cl ZINC000766896291 585509964 /nfs/dbraw/zinc/50/99/64/585509964.db2.gz YXIDCTSWFYIYDI-UHFFFAOYSA-N 0 3 235.758 3.575 20 30 BHEDHN C#CCCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000766896319 585509709 /nfs/dbraw/zinc/50/97/09/585509709.db2.gz LPOGOZRSCIAQMF-HNNXBMFYSA-N 0 3 247.769 3.890 20 30 BHEDHN C#CCCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000766896320 585509836 /nfs/dbraw/zinc/50/98/36/585509836.db2.gz LPOGOZRSCIAQMF-OAHLLOKOSA-N 0 3 247.769 3.890 20 30 BHEDHN C#CCCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000766901516 585510291 /nfs/dbraw/zinc/51/02/91/585510291.db2.gz PMTXJQHSMVUZCH-HNNXBMFYSA-N 0 3 249.304 3.515 20 30 BHEDHN C#CCCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000766901518 585510403 /nfs/dbraw/zinc/51/04/03/585510403.db2.gz PMTXJQHSMVUZCH-OAHLLOKOSA-N 0 3 249.304 3.515 20 30 BHEDHN C#CCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000766905933 585509043 /nfs/dbraw/zinc/50/90/43/585509043.db2.gz NJJZZJUFSAQFFC-AWEZNQCLSA-N 0 3 233.742 3.500 20 30 BHEDHN C#CCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000766905935 585509065 /nfs/dbraw/zinc/50/90/65/585509065.db2.gz NJJZZJUFSAQFFC-CQSZACIVSA-N 0 3 233.742 3.500 20 30 BHEDHN C=C(CNCc1cc(C)oc1C)c1ccccc1 ZINC000767347737 585517091 /nfs/dbraw/zinc/51/70/91/585517091.db2.gz DANMOCBGHZNUJC-UHFFFAOYSA-N 0 3 241.334 3.699 20 30 BHEDHN CCCCCCCCN(C)Cc1cccnc1 ZINC000767470515 585520692 /nfs/dbraw/zinc/52/06/92/585520692.db2.gz SJCYAAUNYHHLJS-UHFFFAOYSA-N 0 3 234.387 3.874 20 30 BHEDHN CCCCCCCN(CC)Cc1ccncc1 ZINC000767617837 585523293 /nfs/dbraw/zinc/52/32/93/585523293.db2.gz XRKUEJHOLUVPHP-UHFFFAOYSA-N 0 3 234.387 3.874 20 30 BHEDHN C=CCN(Cc1cc2ccccc2o1)C(C)C ZINC000767891138 585527640 /nfs/dbraw/zinc/52/76/40/585527640.db2.gz QNQYUNSAWIZMPL-UHFFFAOYSA-N 0 3 229.323 3.829 20 30 BHEDHN C=C(C)CN(CC)Cc1cncc2ccccc21 ZINC000768139966 585532667 /nfs/dbraw/zinc/53/26/67/585532667.db2.gz IWVRINIXSGDGNF-UHFFFAOYSA-N 0 3 240.350 3.633 20 30 BHEDHN CCCCCCC[C@@H](C)NCc1cc(C)ncn1 ZINC000768514532 585539605 /nfs/dbraw/zinc/53/96/05/585539605.db2.gz XTSSJQKRKBMHGK-CYBMUJFWSA-N 0 3 249.402 3.624 20 30 BHEDHN CCCCCCC[C@H](C)NCc1cc(C)ncn1 ZINC000768514585 585539513 /nfs/dbraw/zinc/53/95/13/585539513.db2.gz XTSSJQKRKBMHGK-ZDUSSCGKSA-N 0 3 249.402 3.624 20 30 BHEDHN C=CCN(Cc1ccc(F)c(C)c1)C(C)C ZINC000768546228 584951180 /nfs/dbraw/zinc/95/11/80/584951180.db2.gz ACLLAUHLGBIKRB-UHFFFAOYSA-N 0 3 221.319 3.531 20 30 BHEDHN C=CCN(Cc1coc2ccccc12)C(C)C ZINC000768546658 585540020 /nfs/dbraw/zinc/54/00/20/585540020.db2.gz BWCGRZXEKIDKKN-UHFFFAOYSA-N 0 3 229.323 3.829 20 30 BHEDHN C=CCN(C/C=C/c1ccc(F)cc1)C(C)C ZINC000768546661 585539910 /nfs/dbraw/zinc/53/99/10/585539910.db2.gz BXCGWZSLJZSOAD-AATRIKPKSA-N 0 3 233.330 3.735 20 30 BHEDHN C=CCN(Cc1ccc(F)cc1C)C(C)C ZINC000768546676 585540122 /nfs/dbraw/zinc/54/01/22/585540122.db2.gz CGFWOAGOVNEGTR-UHFFFAOYSA-N 0 3 221.319 3.531 20 30 BHEDHN C=CCOc1ccc(CN(CC=C)C(C)C)cc1 ZINC000768546958 585539872 /nfs/dbraw/zinc/53/98/72/585539872.db2.gz FXQWPNUHGNMVMR-UHFFFAOYSA-N 0 3 245.366 3.648 20 30 BHEDHN C=CCN(Cc1ccc(CC)s1)C(C)C ZINC000768547378 585539820 /nfs/dbraw/zinc/53/98/20/585539820.db2.gz JXQHNBXZWLDVDD-UHFFFAOYSA-N 0 3 223.385 3.707 20 30 BHEDHN C=CCN(Cc1cncc2ccccc21)C(C)C ZINC000768547379 585540155 /nfs/dbraw/zinc/54/01/55/585540155.db2.gz JYTVKILLSQDWPX-UHFFFAOYSA-N 0 3 240.350 3.631 20 30 BHEDHN C=CCN(Cc1cc2cc(F)ccc2o1)C(C)C ZINC000768547839 585540494 /nfs/dbraw/zinc/54/04/94/585540494.db2.gz RNNDQLJKZHOFEV-UHFFFAOYSA-N 0 3 247.313 3.968 20 30 BHEDHN C=CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C(C)C ZINC000768547910 585540453 /nfs/dbraw/zinc/54/04/53/585540453.db2.gz TVEGSWQVMOOHFZ-GXTWGEPZSA-N 0 3 233.355 3.799 20 30 BHEDHN C=CCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C(C)C ZINC000768547912 585540380 /nfs/dbraw/zinc/54/03/80/585540380.db2.gz TVEGSWQVMOOHFZ-JSGCOSHPSA-N 0 3 233.355 3.799 20 30 BHEDHN C=CCN(Cc1ccc([C@H]2C[C@H]2C)o1)C(C)C ZINC000768547913 585540432 /nfs/dbraw/zinc/54/04/32/585540432.db2.gz TVEGSWQVMOOHFZ-OCCSQVGLSA-N 0 3 233.355 3.799 20 30 BHEDHN C=CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)C ZINC000768547915 585540359 /nfs/dbraw/zinc/54/03/59/585540359.db2.gz TVEGSWQVMOOHFZ-TZMCWYRMSA-N 0 3 233.355 3.799 20 30 BHEDHN C=CCOc1ccccc1CN(CC=C)C(C)C ZINC000768547930 585540208 /nfs/dbraw/zinc/54/02/08/585540208.db2.gz UFHWLRONQOVCRQ-UHFFFAOYSA-N 0 3 245.366 3.648 20 30 BHEDHN C=CCN(Cc1ccc(F)c(Cl)c1)C(C)C ZINC000768547951 585540371 /nfs/dbraw/zinc/54/03/71/585540371.db2.gz UPWSRIZCLUWUIF-UHFFFAOYSA-N 0 3 241.737 3.876 20 30 BHEDHN C=CCN(C/C=C/c1ccccc1OC)C(C)C ZINC000768548038 585540309 /nfs/dbraw/zinc/54/03/09/585540309.db2.gz VGOVIXFNQICULD-CSKARUKUSA-N 0 3 245.366 3.605 20 30 BHEDHN C=CCN(C/C=C\c1ccccc1OC)C(C)C ZINC000768548041 585540270 /nfs/dbraw/zinc/54/02/70/585540270.db2.gz VGOVIXFNQICULD-NTMALXAHSA-N 0 3 245.366 3.605 20 30 BHEDHN C=CCN(Cc1nccc2ccccc21)C(C)C ZINC000768548086 585540456 /nfs/dbraw/zinc/54/04/56/585540456.db2.gz WELBIIDZWKGXER-UHFFFAOYSA-N 0 3 240.350 3.631 20 30 BHEDHN C=CCOc1cccc(CN(CC=C)C(C)C)c1 ZINC000768548144 585540239 /nfs/dbraw/zinc/54/02/39/585540239.db2.gz WWFSITWZXFSMQS-UHFFFAOYSA-N 0 3 245.366 3.648 20 30 BHEDHN C=CCN(Cc1ccc(Cl)c(F)c1)C(C)C ZINC000768549750 585540202 /nfs/dbraw/zinc/54/02/02/585540202.db2.gz DBEZHJWWJWLMCC-UHFFFAOYSA-N 0 3 241.737 3.876 20 30 BHEDHN C=CCN(Cc1cnc2ccccc2c1)C(C)C ZINC000768549962 585540218 /nfs/dbraw/zinc/54/02/18/585540218.db2.gz HKANJKBBQNUXTL-UHFFFAOYSA-N 0 3 240.350 3.631 20 30 BHEDHN C=CCN(Cc1ccc(C)c(F)c1)C(C)C ZINC000768550298 585540333 /nfs/dbraw/zinc/54/03/33/585540333.db2.gz JYDYXYKNWHACME-UHFFFAOYSA-N 0 3 221.319 3.531 20 30 BHEDHN CCCCCCCCCN(C)Cc1cn[nH]c1 ZINC000768993094 585547243 /nfs/dbraw/zinc/54/72/43/585547243.db2.gz UUWIIRGEPNSHTD-UHFFFAOYSA-N 0 3 237.391 3.592 20 30 BHEDHN C=CCN(CCc1ccccc1)Cc1ccoc1 ZINC000769110402 585548942 /nfs/dbraw/zinc/54/89/42/585548942.db2.gz CLNQTXKDTYZJLF-UHFFFAOYSA-N 0 3 241.334 3.510 20 30 BHEDHN C#CCN(Cc1ccsc1)C1CCCCC1 ZINC000769146385 585550121 /nfs/dbraw/zinc/55/01/21/585550121.db2.gz UGBLEGZGEZITFW-UHFFFAOYSA-N 0 3 233.380 3.516 20 30 BHEDHN C=CCCCCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000769445050 585556656 /nfs/dbraw/zinc/55/66/56/585556656.db2.gz CYLQHEKDFXUVCT-UHFFFAOYSA-N 0 3 247.382 3.879 20 30 BHEDHN C=CCCCCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000769445050 585556655 /nfs/dbraw/zinc/55/66/55/585556655.db2.gz CYLQHEKDFXUVCT-UHFFFAOYSA-N 0 3 247.382 3.879 20 30 BHEDHN C#CCCCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000769953510 585567276 /nfs/dbraw/zinc/56/72/76/585567276.db2.gz KWDYYMOVHDGVJN-CHWSQXEVSA-N 0 3 245.341 3.547 20 30 BHEDHN C#CCCCN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769953515 585567285 /nfs/dbraw/zinc/56/72/85/585567285.db2.gz KWDYYMOVHDGVJN-OLZOCXBDSA-N 0 3 245.341 3.547 20 30 BHEDHN C#CCCCN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000769953516 585567292 /nfs/dbraw/zinc/56/72/92/585567292.db2.gz KWDYYMOVHDGVJN-QWHCGFSZSA-N 0 3 245.341 3.547 20 30 BHEDHN C#CCCCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769953519 585567173 /nfs/dbraw/zinc/56/71/73/585567173.db2.gz KWDYYMOVHDGVJN-STQMWFEESA-N 0 3 245.341 3.547 20 30 BHEDHN C=CCCCCN[C@H](C)c1c(C)onc1CC ZINC000769988107 585568744 /nfs/dbraw/zinc/56/87/44/585568744.db2.gz MYFFWTJQVIRFSM-LLVKDONJSA-N 0 3 236.359 3.552 20 30 BHEDHN C=CCCCCN[C@@H](C)c1c(C)onc1CC ZINC000769988109 585568563 /nfs/dbraw/zinc/56/85/63/585568563.db2.gz MYFFWTJQVIRFSM-NSHDSACASA-N 0 3 236.359 3.552 20 30 BHEDHN C#CCCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770001628 585569185 /nfs/dbraw/zinc/56/91/85/585569185.db2.gz OLEJJSRQQZYZDZ-HNNXBMFYSA-N 0 3 247.769 3.890 20 30 BHEDHN C#CCCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770001631 585569169 /nfs/dbraw/zinc/56/91/69/585569169.db2.gz OLEJJSRQQZYZDZ-OAHLLOKOSA-N 0 3 247.769 3.890 20 30 BHEDHN C#CCN(CC)[C@@H](C)CCSc1ccccc1 ZINC000770171738 585571400 /nfs/dbraw/zinc/57/14/00/585571400.db2.gz KNBJYTHWGLQORY-AWEZNQCLSA-N 0 3 247.407 3.512 20 30 BHEDHN C#CCN(CC)[C@H](C)CCSc1ccccc1 ZINC000770171740 585571272 /nfs/dbraw/zinc/57/12/72/585571272.db2.gz KNBJYTHWGLQORY-CQSZACIVSA-N 0 3 247.407 3.512 20 30 BHEDHN C=C(Cl)CN[C@@H](Cc1cccc(C)c1)C1CC1 ZINC000773003236 585629249 /nfs/dbraw/zinc/62/92/49/585629249.db2.gz BVYJZZIHIRFGCK-HNNXBMFYSA-N 0 3 249.785 3.658 20 30 BHEDHN C=C(Cl)CN[C@H](Cc1cccc(C)c1)C1CC1 ZINC000773003242 585629311 /nfs/dbraw/zinc/62/93/11/585629311.db2.gz BVYJZZIHIRFGCK-OAHLLOKOSA-N 0 3 249.785 3.658 20 30 BHEDHN C=C(Cl)CN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000773004596 585629399 /nfs/dbraw/zinc/62/93/99/585629399.db2.gz MLEPYOFGRYXVNB-CABCVRRESA-N 0 3 249.785 3.740 20 30 BHEDHN C=C(Cl)CN[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000773004597 585629391 /nfs/dbraw/zinc/62/93/91/585629391.db2.gz MLEPYOFGRYXVNB-GJZGRUSLSA-N 0 3 249.785 3.740 20 30 BHEDHN C=C(Cl)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000773004599 585629516 /nfs/dbraw/zinc/62/95/16/585629516.db2.gz MLEPYOFGRYXVNB-HUUCEWRRSA-N 0 3 249.785 3.740 20 30 BHEDHN C=C(Cl)CN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000773004602 585629530 /nfs/dbraw/zinc/62/95/30/585629530.db2.gz MLEPYOFGRYXVNB-LSDHHAIUSA-N 0 3 249.785 3.740 20 30 BHEDHN C=C(Cl)CN[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000773005068 585629471 /nfs/dbraw/zinc/62/94/71/585629471.db2.gz NYHLEMDKJZXWBC-HNNXBMFYSA-N 0 3 249.785 3.658 20 30 BHEDHN C=C(Cl)CN[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000773005071 585629610 /nfs/dbraw/zinc/62/96/10/585629610.db2.gz NYHLEMDKJZXWBC-OAHLLOKOSA-N 0 3 249.785 3.658 20 30 BHEDHN CCCC[C@H](CC)NCc1cc(C#N)ccc1F ZINC000773030380 585629760 /nfs/dbraw/zinc/62/97/60/585629760.db2.gz QIEYAMSCYVDSTP-AWEZNQCLSA-N 0 3 248.345 3.756 20 30 BHEDHN CCCC[C@@H](CC)NCc1cc(C#N)ccc1F ZINC000773030381 585629684 /nfs/dbraw/zinc/62/96/84/585629684.db2.gz QIEYAMSCYVDSTP-CQSZACIVSA-N 0 3 248.345 3.756 20 30 BHEDHN C=CCCCC[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000773427215 585636683 /nfs/dbraw/zinc/63/66/83/585636683.db2.gz FDRLNXNQGGYYTP-AWEZNQCLSA-N 0 3 247.382 3.925 20 30 BHEDHN C=CCCCC[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000773427219 585636618 /nfs/dbraw/zinc/63/66/18/585636618.db2.gz FDRLNXNQGGYYTP-CQSZACIVSA-N 0 3 247.382 3.925 20 30 BHEDHN C=C(CC)C[N@H+](CCC)Cc1ccccc1[O-] ZINC000773432110 585636561 /nfs/dbraw/zinc/63/65/61/585636561.db2.gz ODRXQNUATQPBBI-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=C(CC)C[N@@H+](CCC)Cc1ccccc1[O-] ZINC000773432110 585636560 /nfs/dbraw/zinc/63/65/60/585636560.db2.gz ODRXQNUATQPBBI-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=C(Cl)CN(C)[C@@H](C)C1CCCCC1 ZINC000773976821 585647670 /nfs/dbraw/zinc/64/76/70/585647670.db2.gz NLUBZWFCMRTOAM-NSHDSACASA-N 0 3 215.768 3.640 20 30 BHEDHN C#CCN[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000775132666 585672678 /nfs/dbraw/zinc/67/26/78/585672678.db2.gz AGYLILMMHKXIKC-AWEZNQCLSA-N 0 3 233.330 3.526 20 30 BHEDHN C#CCN[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000775132668 585672563 /nfs/dbraw/zinc/67/25/63/585672563.db2.gz AGYLILMMHKXIKC-CQSZACIVSA-N 0 3 233.330 3.526 20 30 BHEDHN C#C[C@@H](C)N(C)C[C@@H](CCC)c1ccccc1 ZINC000775180526 585672943 /nfs/dbraw/zinc/67/29/43/585672943.db2.gz ZCSYDSVDNLNKDF-GDBMZVCRSA-N 0 3 229.367 3.524 20 30 BHEDHN C#C[C@H](C)N(C)C[C@@H](CCC)c1ccccc1 ZINC000775180527 585672889 /nfs/dbraw/zinc/67/28/89/585672889.db2.gz ZCSYDSVDNLNKDF-GOEBONIOSA-N 0 3 229.367 3.524 20 30 BHEDHN C#C[C@H](C)N(C)C[C@H](CCC)c1ccccc1 ZINC000775180528 585673230 /nfs/dbraw/zinc/67/32/30/585673230.db2.gz ZCSYDSVDNLNKDF-HOCLYGCPSA-N 0 3 229.367 3.524 20 30 BHEDHN C#C[C@@H](C)N(C)C[C@H](CCC)c1ccccc1 ZINC000775180529 585673103 /nfs/dbraw/zinc/67/31/03/585673103.db2.gz ZCSYDSVDNLNKDF-ZBFHGGJFSA-N 0 3 229.367 3.524 20 30 BHEDHN C#CCCNC(C)(c1ccccc1)c1ccccc1 ZINC000775365703 585676567 /nfs/dbraw/zinc/67/65/67/585676567.db2.gz QBJOJMNXMHWRSU-UHFFFAOYSA-N 0 3 249.357 3.563 20 30 BHEDHN C#CCN[C@H](c1oc2ccccc2c1C)C(C)C ZINC000775407846 585677603 /nfs/dbraw/zinc/67/76/03/585677603.db2.gz GRVUYNHGKAOXAF-HNNXBMFYSA-N 0 3 241.334 3.661 20 30 BHEDHN C#CCN[C@@H](c1oc2ccccc2c1C)C(C)C ZINC000775407848 585677734 /nfs/dbraw/zinc/67/77/34/585677734.db2.gz GRVUYNHGKAOXAF-OAHLLOKOSA-N 0 3 241.334 3.661 20 30 BHEDHN C#CCCN[C@H](c1ccccc1F)C1CCCC1 ZINC000775540187 585679288 /nfs/dbraw/zinc/67/92/88/585679288.db2.gz QWDLBCDUOGUJPO-INIZCTEOSA-N 0 3 245.341 3.670 20 30 BHEDHN C#CCCN[C@@H](c1ccccc1F)C1CCCC1 ZINC000775540188 585679146 /nfs/dbraw/zinc/67/91/46/585679146.db2.gz QWDLBCDUOGUJPO-MRXNPFEDSA-N 0 3 245.341 3.670 20 30 BHEDHN C#CCN(CCC(=C)C)[C@H]1CCc2ccccc21 ZINC000775577212 585681067 /nfs/dbraw/zinc/68/10/67/585681067.db2.gz LISDSGWOQMGKTL-KRWDZBQOSA-N 0 3 239.362 3.575 20 30 BHEDHN C#CCN(CCC(=C)C)[C@@H]1CCc2ccccc21 ZINC000775577221 585681025 /nfs/dbraw/zinc/68/10/25/585681025.db2.gz LISDSGWOQMGKTL-QGZVFWFLSA-N 0 3 239.362 3.575 20 30 BHEDHN C=C(C)CC[N@H+](CCC)Cc1ccccc1[O-] ZINC000775610848 585681309 /nfs/dbraw/zinc/68/13/09/585681309.db2.gz VKBWNKBDXNNMBQ-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=C(C)CC[N@@H+](CCC)Cc1ccccc1[O-] ZINC000775610848 585681308 /nfs/dbraw/zinc/68/13/08/585681308.db2.gz VKBWNKBDXNNMBQ-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=CCCCCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000775701563 585683232 /nfs/dbraw/zinc/68/32/32/585683232.db2.gz GTNCKJXAWWERNH-UHFFFAOYSA-N 0 3 247.382 3.879 20 30 BHEDHN C=CCCCCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000775701563 585683231 /nfs/dbraw/zinc/68/32/31/585683231.db2.gz GTNCKJXAWWERNH-UHFFFAOYSA-N 0 3 247.382 3.879 20 30 BHEDHN C#CCCCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000775723759 585683491 /nfs/dbraw/zinc/68/34/91/585683491.db2.gz MLFRYFJJPRXLPU-HNNXBMFYSA-N 0 3 249.304 3.585 20 30 BHEDHN C#CCCCN[C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000775723760 585683396 /nfs/dbraw/zinc/68/33/96/585683396.db2.gz MLFRYFJJPRXLPU-OAHLLOKOSA-N 0 3 249.304 3.585 20 30 BHEDHN CCCCC[C@@H](NCC1(C#N)CC1)C(C)(C)C ZINC000776025295 585689418 /nfs/dbraw/zinc/68/94/18/585689418.db2.gz RPWRLNGQSSYJCD-CYBMUJFWSA-N 0 3 236.403 3.875 20 30 BHEDHN CCCCC[C@H](NCC1(C#N)CC1)C(C)(C)C ZINC000776025298 585689507 /nfs/dbraw/zinc/68/95/07/585689507.db2.gz RPWRLNGQSSYJCD-ZDUSSCGKSA-N 0 3 236.403 3.875 20 30 BHEDHN C[C@@H]1CN(CCC(C)(C)C#N)Cc2ccccc21 ZINC000776579750 585701114 /nfs/dbraw/zinc/70/11/14/585701114.db2.gz PJHQCDOEEJCAKX-CYBMUJFWSA-N 0 3 242.366 3.546 20 30 BHEDHN C[C@H]1CN(CCC(C)(C)C#N)Cc2ccccc21 ZINC000776579751 585700974 /nfs/dbraw/zinc/70/09/74/585700974.db2.gz PJHQCDOEEJCAKX-ZDUSSCGKSA-N 0 3 242.366 3.546 20 30 BHEDHN CC(C)(C#N)CCNC(C)(C)c1ccc(F)cc1 ZINC000776593230 585702209 /nfs/dbraw/zinc/70/22/09/585702209.db2.gz RTVIDQULJLMBAN-UHFFFAOYSA-N 0 3 248.345 3.590 20 30 BHEDHN C=CCN(Cc1cc(F)cc(Cl)c1)C(C)C ZINC000777219968 585709623 /nfs/dbraw/zinc/70/96/23/585709623.db2.gz CHOQVQFFLDDLRG-UHFFFAOYSA-N 0 3 241.737 3.876 20 30 BHEDHN CC(=NOC1CCCCC1)c1ccc(N)cc1C ZINC000777453827 585712458 /nfs/dbraw/zinc/71/24/58/585712458.db2.gz SIAHHUKHJRAGIQ-UHFFFAOYSA-N 0 3 246.354 3.651 20 30 BHEDHN Cc1cc(N)cc(C)c1C=NOC1CCCCC1 ZINC000777459183 585712972 /nfs/dbraw/zinc/71/29/72/585712972.db2.gz NSBYDXVODRRMOK-UHFFFAOYSA-N 0 3 246.354 3.569 20 30 BHEDHN C=C(C)CN(CC)Cc1ccc(CF)cc1 ZINC000777543701 585714951 /nfs/dbraw/zinc/71/49/51/585714951.db2.gz NYNZQBGKPFOWSP-UHFFFAOYSA-N 0 3 221.319 3.554 20 30 BHEDHN C=CCN(C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000777548473 585714489 /nfs/dbraw/zinc/71/44/89/585714489.db2.gz SUHBDWGDAVMHSO-UHFFFAOYSA-N 0 3 247.382 3.616 20 30 BHEDHN C#CCN(Cc1ccc(CF)cc1)C1CCCC1 ZINC000777601290 585716850 /nfs/dbraw/zinc/71/68/50/585716850.db2.gz XFWVYVSRCBJNER-UHFFFAOYSA-N 0 3 245.341 3.534 20 30 BHEDHN C=C(C)C[N@H+](C)Cc1cc(C(C)C)c(C)cc1[O-] ZINC000777961053 585724492 /nfs/dbraw/zinc/72/44/92/585724492.db2.gz UICSTJPZAMETJE-UHFFFAOYSA-N 0 3 247.382 3.832 20 30 BHEDHN C=C(C)C[N@@H+](C)Cc1cc(C(C)C)c(C)cc1[O-] ZINC000777961053 585724491 /nfs/dbraw/zinc/72/44/91/585724491.db2.gz UICSTJPZAMETJE-UHFFFAOYSA-N 0 3 247.382 3.832 20 30 BHEDHN C=CCN(Cc1cc(F)ccc1C)C(C)C ZINC000778996889 585744047 /nfs/dbraw/zinc/74/40/47/585744047.db2.gz VNKAAPGPVKOZGL-UHFFFAOYSA-N 0 3 221.319 3.531 20 30 BHEDHN C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000779106536 585745105 /nfs/dbraw/zinc/74/51/05/585745105.db2.gz OZVWUSHFNZSRLF-CYBMUJFWSA-N 0 3 233.355 3.617 20 30 BHEDHN C=CCCCC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000779106537 585745144 /nfs/dbraw/zinc/74/51/44/585745144.db2.gz OZVWUSHFNZSRLF-ZDUSSCGKSA-N 0 3 233.355 3.617 20 30 BHEDHN C=C(Cl)CN[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000780530210 585780026 /nfs/dbraw/zinc/78/00/26/585780026.db2.gz SEIDBXCOXIJRIT-CABCVRRESA-N 0 3 249.785 3.740 20 30 BHEDHN C=C(Cl)CN[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000780530223 585779968 /nfs/dbraw/zinc/77/99/68/585779968.db2.gz SEIDBXCOXIJRIT-GJZGRUSLSA-N 0 3 249.785 3.740 20 30 BHEDHN C=C(Cl)CN[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000780530225 585780046 /nfs/dbraw/zinc/78/00/46/585780046.db2.gz SEIDBXCOXIJRIT-HUUCEWRRSA-N 0 3 249.785 3.740 20 30 BHEDHN C=C(Cl)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000780530226 585780008 /nfs/dbraw/zinc/78/00/08/585780008.db2.gz SEIDBXCOXIJRIT-LSDHHAIUSA-N 0 3 249.785 3.740 20 30 BHEDHN C=CCN(Cc1ccccc1SC)C(C)C ZINC000781326918 585794876 /nfs/dbraw/zinc/79/48/76/585794876.db2.gz SYWACRONPJFQSX-UHFFFAOYSA-N 0 3 235.396 3.805 20 30 BHEDHN CCCCCCCN1CCC[C@@H](OC(F)F)C1 ZINC000781355109 585795098 /nfs/dbraw/zinc/79/50/98/585795098.db2.gz XFYGLSLGGOFCHN-GFCCVEGCSA-N 0 3 249.345 3.660 20 30 BHEDHN CCCCCCCN1CCC[C@H](OC(F)F)C1 ZINC000781355110 585795157 /nfs/dbraw/zinc/79/51/57/585795157.db2.gz XFYGLSLGGOFCHN-LBPRGKRZSA-N 0 3 249.345 3.660 20 30 BHEDHN CCCCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000781421737 585796036 /nfs/dbraw/zinc/79/60/36/585796036.db2.gz STYCECRCNBMWQF-GFCCVEGCSA-N 0 3 248.345 3.928 20 30 BHEDHN CCCCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000781421738 585796008 /nfs/dbraw/zinc/79/60/08/585796008.db2.gz STYCECRCNBMWQF-LBPRGKRZSA-N 0 3 248.345 3.928 20 30 BHEDHN C[C@@H](N[C@H](C)C1(C)CC1)c1ccc(C#N)cc1F ZINC000781422964 585795884 /nfs/dbraw/zinc/79/58/84/585795884.db2.gz RUQRIDJVFKNZBU-GHMZBOCLSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@@H](C)C1(C)CC1)c1ccc(C#N)cc1F ZINC000781422973 585796105 /nfs/dbraw/zinc/79/61/05/585796105.db2.gz RUQRIDJVFKNZBU-MNOVXSKESA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@H](N[C@@H](C)C1(C)CC1)c1ccc(C#N)cc1F ZINC000781422974 585796002 /nfs/dbraw/zinc/79/60/02/585796002.db2.gz RUQRIDJVFKNZBU-QWRGUYRKSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C1(C)CC1 ZINC000781422975 585796073 /nfs/dbraw/zinc/79/60/73/585796073.db2.gz RUQRIDJVFKNZBU-WDEREUQCSA-N 0 3 246.329 3.537 20 30 BHEDHN C[C@@H](NCCC1CCC1)c1ccc(C#N)cc1F ZINC000781424336 585795933 /nfs/dbraw/zinc/79/59/33/585795933.db2.gz XQJCSQRKUNEYQH-LLVKDONJSA-N 0 3 246.329 3.538 20 30 BHEDHN C[C@H](NCCC1CCC1)c1ccc(C#N)cc1F ZINC000781424338 585795930 /nfs/dbraw/zinc/79/59/30/585795930.db2.gz XQJCSQRKUNEYQH-NSHDSACASA-N 0 3 246.329 3.538 20 30 BHEDHN C=C(C)CN(C)[C@H]1CCc2cc(Cl)ccc21 ZINC000782192007 585811801 /nfs/dbraw/zinc/81/18/01/585811801.db2.gz RWBWAVQFKYAMTM-AWEZNQCLSA-N 0 3 235.758 3.835 20 30 BHEDHN C=C(C)CN(C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000782192009 585811768 /nfs/dbraw/zinc/81/17/68/585811768.db2.gz RWBWAVQFKYAMTM-CQSZACIVSA-N 0 3 235.758 3.835 20 30 BHEDHN C#CCN[C@@H](CC)c1cccc2ccccc21 ZINC000783216930 585830920 /nfs/dbraw/zinc/83/09/20/585830920.db2.gz WPMNSKXIYPBKAV-INIZCTEOSA-N 0 3 223.319 3.514 20 30 BHEDHN C#CCN[C@H](CC)c1cccc2ccccc21 ZINC000783216931 585830964 /nfs/dbraw/zinc/83/09/64/585830964.db2.gz WPMNSKXIYPBKAV-MRXNPFEDSA-N 0 3 223.319 3.514 20 30 BHEDHN C=C(Cl)CN[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000783251299 585832437 /nfs/dbraw/zinc/83/24/37/585832437.db2.gz JRVIUFWICHVPJG-CABCVRRESA-N 0 3 249.785 3.839 20 30 BHEDHN C=C(Cl)CN[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000783251301 585832357 /nfs/dbraw/zinc/83/23/57/585832357.db2.gz JRVIUFWICHVPJG-GJZGRUSLSA-N 0 3 249.785 3.839 20 30 BHEDHN C=C(Cl)CN[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000783251302 585832410 /nfs/dbraw/zinc/83/24/10/585832410.db2.gz JRVIUFWICHVPJG-HUUCEWRRSA-N 0 3 249.785 3.839 20 30 BHEDHN C=C(Cl)CN[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000783251303 585832292 /nfs/dbraw/zinc/83/22/92/585832292.db2.gz JRVIUFWICHVPJG-LSDHHAIUSA-N 0 3 249.785 3.839 20 30 BHEDHN C=CCCCC[C@H](C)N[C@H](C)c1nccnc1C ZINC000783265037 585832697 /nfs/dbraw/zinc/83/26/97/585832697.db2.gz BEINTRLMEJBIQR-GXTWGEPZSA-N 0 3 247.386 3.571 20 30 BHEDHN C=CCCCC[C@H](C)N[C@@H](C)c1nccnc1C ZINC000783265038 585832730 /nfs/dbraw/zinc/83/27/30/585832730.db2.gz BEINTRLMEJBIQR-JSGCOSHPSA-N 0 3 247.386 3.571 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000783265039 585832623 /nfs/dbraw/zinc/83/26/23/585832623.db2.gz BEINTRLMEJBIQR-OCCSQVGLSA-N 0 3 247.386 3.571 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@H](C)c1nccnc1C ZINC000783265040 585832712 /nfs/dbraw/zinc/83/27/12/585832712.db2.gz BEINTRLMEJBIQR-TZMCWYRMSA-N 0 3 247.386 3.571 20 30 BHEDHN C#CCN(C[C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000783676732 585839902 /nfs/dbraw/zinc/83/99/02/585839902.db2.gz KNNKOHXKVRBWBA-GFCCVEGCSA-N 0 3 247.769 3.541 20 30 BHEDHN C#CCN(C[C@H](C)c1cccc(Cl)c1)C1CC1 ZINC000783676733 585839899 /nfs/dbraw/zinc/83/98/99/585839899.db2.gz KNNKOHXKVRBWBA-LBPRGKRZSA-N 0 3 247.769 3.541 20 30 BHEDHN C=CCCCCCN1CCC[C@H]1c1cc(C)on1 ZINC000785631122 585876734 /nfs/dbraw/zinc/87/67/34/585876734.db2.gz WQROKZOTUWKPEV-HNNXBMFYSA-N 0 3 248.370 3.866 20 30 BHEDHN C=CCCCCCN1CCC[C@@H]1c1cc(C)on1 ZINC000785631123 585876806 /nfs/dbraw/zinc/87/68/06/585876806.db2.gz WQROKZOTUWKPEV-OAHLLOKOSA-N 0 3 248.370 3.866 20 30 BHEDHN C=CCCCCCN1CC[C@@H](C(F)(F)F)C1 ZINC000785766045 585880076 /nfs/dbraw/zinc/88/00/76/585880076.db2.gz JTPBZTVLGZPFLO-LLVKDONJSA-N 0 3 235.293 3.617 20 30 BHEDHN C=CCCCCCN1CC[C@H](C(F)(F)F)C1 ZINC000785766048 585880224 /nfs/dbraw/zinc/88/02/24/585880224.db2.gz JTPBZTVLGZPFLO-NSHDSACASA-N 0 3 235.293 3.617 20 30 BHEDHN C=CCCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000785773089 585880506 /nfs/dbraw/zinc/88/05/06/585880506.db2.gz CUNLYIXGIPRPAJ-CYBMUJFWSA-N 0 3 233.355 3.789 20 30 BHEDHN C=CCCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000785773091 585880457 /nfs/dbraw/zinc/88/04/57/585880457.db2.gz CUNLYIXGIPRPAJ-ZDUSSCGKSA-N 0 3 233.355 3.789 20 30 BHEDHN C=C[C@H]1CCCCN1Cc1ccc(CF)cc1 ZINC000785998837 585885132 /nfs/dbraw/zinc/88/51/32/585885132.db2.gz OJDTXYPXOYJXNV-HNNXBMFYSA-N 0 3 233.330 3.697 20 30 BHEDHN C=C[C@@H]1CCCCN1Cc1ccc(CF)cc1 ZINC000785998839 585884825 /nfs/dbraw/zinc/88/48/25/585884825.db2.gz OJDTXYPXOYJXNV-OAHLLOKOSA-N 0 3 233.330 3.697 20 30 BHEDHN C=CCC[N@H+](C)Cc1cc(C(C)C)c(C)cc1[O-] ZINC000786102471 585887544 /nfs/dbraw/zinc/88/75/44/585887544.db2.gz QDKOXHZCASTGQV-UHFFFAOYSA-N 0 3 247.382 3.832 20 30 BHEDHN C=CCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1[O-] ZINC000786102471 585887543 /nfs/dbraw/zinc/88/75/43/585887543.db2.gz QDKOXHZCASTGQV-UHFFFAOYSA-N 0 3 247.382 3.832 20 30 BHEDHN C=CCN(Cc1cc(Cl)cs1)C(C)C ZINC000787101064 585901488 /nfs/dbraw/zinc/90/14/88/585901488.db2.gz KPMKPKYESGWCIH-UHFFFAOYSA-N 0 3 229.776 3.798 20 30 BHEDHN N#CCCNC1CCC(C2CCCCC2)CC1 ZINC000787300150 585906140 /nfs/dbraw/zinc/90/61/40/585906140.db2.gz FXZPTBSJTSETGP-UHFFFAOYSA-N 0 3 234.387 3.629 20 30 BHEDHN C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000787309130 585906552 /nfs/dbraw/zinc/90/65/52/585906552.db2.gz HXNZQNPTOCYFJW-HNNXBMFYSA-N 0 3 245.366 3.550 20 30 BHEDHN C=C[C@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000787309130 585906551 /nfs/dbraw/zinc/90/65/51/585906551.db2.gz HXNZQNPTOCYFJW-HNNXBMFYSA-N 0 3 245.366 3.550 20 30 BHEDHN C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000787309134 585906688 /nfs/dbraw/zinc/90/66/88/585906688.db2.gz HXNZQNPTOCYFJW-OAHLLOKOSA-N 0 3 245.366 3.550 20 30 BHEDHN C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000787309134 585906687 /nfs/dbraw/zinc/90/66/87/585906687.db2.gz HXNZQNPTOCYFJW-OAHLLOKOSA-N 0 3 245.366 3.550 20 30 BHEDHN C=CCCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000788797892 585930430 /nfs/dbraw/zinc/93/04/30/585930430.db2.gz NFHMNMDBJPTDMM-CYBMUJFWSA-N 0 3 233.355 3.626 20 30 BHEDHN C=CCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000788797893 585930420 /nfs/dbraw/zinc/93/04/20/585930420.db2.gz NFHMNMDBJPTDMM-ZDUSSCGKSA-N 0 3 233.355 3.626 20 30 BHEDHN C#CCCCCNCc1c(Cl)cccc1CC ZINC000788963443 585932693 /nfs/dbraw/zinc/93/26/93/585932693.db2.gz HHCOSJSOOCKVBY-UHFFFAOYSA-N 0 3 249.785 3.796 20 30 BHEDHN C#CCCCN1CCc2c(cccc2C(C)C)C1 ZINC000789547908 585943848 /nfs/dbraw/zinc/94/38/48/585943848.db2.gz BPHRQQSSIZVBIX-UHFFFAOYSA-N 0 3 241.378 3.582 20 30 BHEDHN C=CCN(Cc1cc2ccccc2[nH]1)C(C)C ZINC000789726464 585949141 /nfs/dbraw/zinc/94/91/41/585949141.db2.gz MRIUYBZINBVYFR-UHFFFAOYSA-N 0 3 228.339 3.564 20 30 BHEDHN C=CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000790494259 585965456 /nfs/dbraw/zinc/96/54/56/585965456.db2.gz BLTRSGQDUMOISX-CYBMUJFWSA-N 0 3 233.355 3.626 20 30 BHEDHN C=CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000790494264 585965570 /nfs/dbraw/zinc/96/55/70/585965570.db2.gz BLTRSGQDUMOISX-ZDUSSCGKSA-N 0 3 233.355 3.626 20 30 BHEDHN C=CCCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000790495602 585965404 /nfs/dbraw/zinc/96/54/04/585965404.db2.gz JMJZTXGHEVFHHR-CMPLNLGQSA-N 0 3 249.329 3.635 20 30 BHEDHN C=CCCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000790495604 585965592 /nfs/dbraw/zinc/96/55/92/585965592.db2.gz JMJZTXGHEVFHHR-JQWIXIFHSA-N 0 3 249.329 3.635 20 30 BHEDHN C=CCCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000790495605 585965561 /nfs/dbraw/zinc/96/55/61/585965561.db2.gz JMJZTXGHEVFHHR-PWSUYJOCSA-N 0 3 249.329 3.635 20 30 BHEDHN C=CCCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000790495607 585965522 /nfs/dbraw/zinc/96/55/22/585965522.db2.gz JMJZTXGHEVFHHR-ZYHUDNBSSA-N 0 3 249.329 3.635 20 30 BHEDHN CC(C)[C@H](C)N(CC#Cc1ccccc1)C1CC1 ZINC000792205533 585998216 /nfs/dbraw/zinc/99/82/16/585998216.db2.gz QNSRTZZMLZPLDT-HNNXBMFYSA-N 0 3 241.378 3.547 20 30 BHEDHN CC(C)[C@@H](C)N(CC#Cc1ccccc1)C1CC1 ZINC000792205534 585998013 /nfs/dbraw/zinc/99/80/13/585998013.db2.gz QNSRTZZMLZPLDT-OAHLLOKOSA-N 0 3 241.378 3.547 20 30 BHEDHN CCCCCCCCCN1CCc2c[nH]nc2C1 ZINC000792252743 644795564 /nfs/dbraw/zinc/79/55/64/644795564.db2.gz CJENSQRSYJAUCW-UHFFFAOYSA-N 0 3 249.402 3.518 20 30 BHEDHN C=CCCCCC[C@@H](C)NCc1cc(C)no1 ZINC000793528592 586022045 /nfs/dbraw/zinc/02/20/45/586022045.db2.gz SINBDZNHZOUWNF-GFCCVEGCSA-N 0 3 236.359 3.598 20 30 BHEDHN C=CCCCCC[C@H](C)NCc1cc(C)no1 ZINC000793528594 586022092 /nfs/dbraw/zinc/02/20/92/586022092.db2.gz SINBDZNHZOUWNF-LBPRGKRZSA-N 0 3 236.359 3.598 20 30 BHEDHN C=C(Cl)CN[C@@H](Cc1ccccc1C)C1CC1 ZINC000793543318 586022443 /nfs/dbraw/zinc/02/24/43/586022443.db2.gz ZKRWIRNGHVCLJN-HNNXBMFYSA-N 0 3 249.785 3.658 20 30 BHEDHN C=C(Cl)CN[C@H](Cc1ccccc1C)C1CC1 ZINC000793543320 586022476 /nfs/dbraw/zinc/02/24/76/586022476.db2.gz ZKRWIRNGHVCLJN-OAHLLOKOSA-N 0 3 249.785 3.658 20 30 BHEDHN C=CC[C@H](C)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794811385 586049303 /nfs/dbraw/zinc/04/93/03/586049303.db2.gz QDKWQNKDBIWTTA-GXTWGEPZSA-N 0 3 233.355 3.706 20 30 BHEDHN C=CC[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794811386 586049319 /nfs/dbraw/zinc/04/93/19/586049319.db2.gz QDKWQNKDBIWTTA-JSGCOSHPSA-N 0 3 233.355 3.706 20 30 BHEDHN C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794811387 586049298 /nfs/dbraw/zinc/04/92/98/586049298.db2.gz QDKWQNKDBIWTTA-OCCSQVGLSA-N 0 3 233.355 3.706 20 30 BHEDHN C=CC[C@@H](C)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794811388 586049437 /nfs/dbraw/zinc/04/94/37/586049437.db2.gz QDKWQNKDBIWTTA-TZMCWYRMSA-N 0 3 233.355 3.706 20 30 BHEDHN C=CCCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794827929 586049805 /nfs/dbraw/zinc/04/98/05/586049805.db2.gz MGVZSQAALPBLIW-AWEZNQCLSA-N 0 3 233.355 3.708 20 30 BHEDHN C=CCCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794827930 586049811 /nfs/dbraw/zinc/04/98/11/586049811.db2.gz MGVZSQAALPBLIW-CQSZACIVSA-N 0 3 233.355 3.708 20 30 BHEDHN C=C(C)CN1CC=C(c2ccc(C)cc2)CC1 ZINC000795391950 586077119 /nfs/dbraw/zinc/07/71/19/586077119.db2.gz UYOAWKGJJODUPF-UHFFFAOYSA-N 0 3 227.351 3.660 20 30 BHEDHN CCCCCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000796196955 586098582 /nfs/dbraw/zinc/09/85/82/586098582.db2.gz XWSQTGULZRIHHK-HNNXBMFYSA-N 0 3 249.402 3.907 20 30 BHEDHN CCCCCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000796196956 586098729 /nfs/dbraw/zinc/09/87/29/586098729.db2.gz XWSQTGULZRIHHK-OAHLLOKOSA-N 0 3 249.402 3.907 20 30 BHEDHN C#CCCN(Cc1ccccc1Cl)CC1CC1 ZINC000796257408 586099727 /nfs/dbraw/zinc/09/97/27/586099727.db2.gz WJLYPOWCJNNABL-UHFFFAOYSA-N 0 3 247.769 3.575 20 30 BHEDHN CCCCCCCCCN(C)Cc1cnc[nH]1 ZINC000796460015 586104245 /nfs/dbraw/zinc/10/42/45/586104245.db2.gz ZGSLGFDRTFNZGU-UHFFFAOYSA-N 0 3 237.391 3.592 20 30 BHEDHN CCCCCCCN(C)Cc1cnccc1C ZINC000796509909 586105644 /nfs/dbraw/zinc/10/56/44/586105644.db2.gz OJQINOUALJEJBV-UHFFFAOYSA-N 0 3 234.387 3.792 20 30 BHEDHN CCCCCCCN1CCC(F)(F)CC1 ZINC000796538956 586106434 /nfs/dbraw/zinc/10/64/34/586106434.db2.gz RITIKPZTHJVJAH-UHFFFAOYSA-N 0 3 219.319 3.688 20 30 BHEDHN C=C(Cl)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000796621669 586108425 /nfs/dbraw/zinc/10/84/25/586108425.db2.gz UGPYRHBGGYHXPC-BXUZGUMPSA-N 0 3 235.758 3.822 20 30 BHEDHN C=C(Cl)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000796621671 586108631 /nfs/dbraw/zinc/10/86/31/586108631.db2.gz UGPYRHBGGYHXPC-FZMZJTMJSA-N 0 3 235.758 3.822 20 30 BHEDHN C=C(Cl)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000796621673 586108685 /nfs/dbraw/zinc/10/86/85/586108685.db2.gz UGPYRHBGGYHXPC-RISCZKNCSA-N 0 3 235.758 3.822 20 30 BHEDHN C=C(Cl)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000796621674 586108658 /nfs/dbraw/zinc/10/86/58/586108658.db2.gz UGPYRHBGGYHXPC-SMDDNHRTSA-N 0 3 235.758 3.822 20 30 BHEDHN CCCCCCCCCN[C@H](C)c1ncc[nH]1 ZINC000796678156 586109949 /nfs/dbraw/zinc/10/99/49/586109949.db2.gz YSHRYCZWTZGSAO-CYBMUJFWSA-N 0 3 237.391 3.811 20 30 BHEDHN CCCCCCCCCN[C@@H](C)c1ncc[nH]1 ZINC000796678159 586110011 /nfs/dbraw/zinc/11/00/11/586110011.db2.gz YSHRYCZWTZGSAO-ZDUSSCGKSA-N 0 3 237.391 3.811 20 30 BHEDHN C=CCC[C@H](NC[C@@H]1CCC=CO1)c1ccco1 ZINC000796947076 644815836 /nfs/dbraw/zinc/81/58/36/644815836.db2.gz HRKJAIIEZNNHFM-KBPBESRZSA-N 0 3 247.338 3.569 20 30 BHEDHN C=CCC[C@H](NC[C@H]1CCC=CO1)c1ccco1 ZINC000796947078 644815223 /nfs/dbraw/zinc/81/52/23/644815223.db2.gz HRKJAIIEZNNHFM-KGLIPLIRSA-N 0 3 247.338 3.569 20 30 BHEDHN C=CCC[C@@H](NC[C@@H]1CCC=CO1)c1ccco1 ZINC000796947080 644816152 /nfs/dbraw/zinc/81/61/52/644816152.db2.gz HRKJAIIEZNNHFM-UONOGXRCSA-N 0 3 247.338 3.569 20 30 BHEDHN C=CCC[C@@H](NC[C@H]1CCC=CO1)c1ccco1 ZINC000796947081 644815765 /nfs/dbraw/zinc/81/57/65/644815765.db2.gz HRKJAIIEZNNHFM-ZIAGYGMSSA-N 0 3 247.338 3.569 20 30 BHEDHN C=C(C)C[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801594692 586265440 /nfs/dbraw/zinc/26/54/40/586265440.db2.gz KXDIYEMRPUPSCR-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=C(C)C[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801594692 586265438 /nfs/dbraw/zinc/26/54/38/586265438.db2.gz KXDIYEMRPUPSCR-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=CCC[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801598646 586266018 /nfs/dbraw/zinc/26/60/18/586266018.db2.gz DOHQQAUEQQCSCD-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=CCC[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801598646 586266016 /nfs/dbraw/zinc/26/60/16/586266016.db2.gz DOHQQAUEQQCSCD-UHFFFAOYSA-N 0 3 233.355 3.570 20 30 BHEDHN C=C(Cl)CN(C)[C@H](C)C1CCCCC1 ZINC000801600771 586265941 /nfs/dbraw/zinc/26/59/41/586265941.db2.gz NLUBZWFCMRTOAM-LLVKDONJSA-N 0 3 215.768 3.640 20 30 BHEDHN CCCCCCCCN1CC[C@H](OC(F)F)C1 ZINC000801987052 586285202 /nfs/dbraw/zinc/28/52/02/586285202.db2.gz ODMZGBOIHBJLKP-LBPRGKRZSA-N 0 3 249.345 3.660 20 30 BHEDHN C#CCCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000805839518 585909886 /nfs/dbraw/zinc/90/98/86/585909886.db2.gz QRHVOIJIBPFIFV-CYBMUJFWSA-N 0 3 233.380 3.544 20 30 BHEDHN C#CCCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000805839525 585909928 /nfs/dbraw/zinc/90/99/28/585909928.db2.gz QRHVOIJIBPFIFV-ZDUSSCGKSA-N 0 3 233.380 3.544 20 30 BHEDHN C=CCCCCCCN[C@@H](CC)c1nccn1C ZINC000806167684 586406644 /nfs/dbraw/zinc/40/66/44/586406644.db2.gz FMHYNVNUUXARKL-AWEZNQCLSA-N 0 3 249.402 3.597 20 30 BHEDHN C=CCCCCCCN[C@H](CC)c1nccn1C ZINC000806167685 586405813 /nfs/dbraw/zinc/40/58/13/586405813.db2.gz FMHYNVNUUXARKL-CQSZACIVSA-N 0 3 249.402 3.597 20 30 BHEDHN C=CCCCCCCN[C@@H](CC)c1ccn(C)n1 ZINC000806167817 586407188 /nfs/dbraw/zinc/40/71/88/586407188.db2.gz LVCVHSXBEPXCOW-AWEZNQCLSA-N 0 3 249.402 3.597 20 30 BHEDHN C=CCCCCCCN[C@H](CC)c1ccn(C)n1 ZINC000806167818 586407051 /nfs/dbraw/zinc/40/70/51/586407051.db2.gz LVCVHSXBEPXCOW-CQSZACIVSA-N 0 3 249.402 3.597 20 30 BHEDHN C#Cc1ccc(CN(C)Cc2ccccc2C)cc1 ZINC000809538167 586506442 /nfs/dbraw/zinc/50/64/42/586506442.db2.gz IRJRZHIAMNUCHH-UHFFFAOYSA-N 0 3 249.357 3.608 20 30 BHEDHN C#Cc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000809539463 644889278 /nfs/dbraw/zinc/88/92/78/644889278.db2.gz SVYQWCFZCVGSNO-GOSISDBHSA-N 0 3 247.341 3.615 20 30 BHEDHN C#Cc1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000809539464 644889032 /nfs/dbraw/zinc/88/90/32/644889032.db2.gz SVYQWCFZCVGSNO-SFHVURJKSA-N 0 3 247.341 3.615 20 30 BHEDHN C#Cc1ccc(CNCc2ccccc2CC)cc1 ZINC000809622980 586509485 /nfs/dbraw/zinc/50/94/85/586509485.db2.gz NROKZVHEAPFNDM-UHFFFAOYSA-N 0 3 249.357 3.520 20 30 BHEDHN C#Cc1ccc(CNCc2c(C)cccc2C)cc1 ZINC000809628566 586509753 /nfs/dbraw/zinc/50/97/53/586509753.db2.gz ZEDVKBGLRKFLNH-UHFFFAOYSA-N 0 3 249.357 3.575 20 30 BHEDHN C#Cc1ccc(CN[C@H](C)c2ccsc2)cc1 ZINC000809663313 644895059 /nfs/dbraw/zinc/89/50/59/644895059.db2.gz SOBRJCNMYOQONC-GFCCVEGCSA-N 0 3 241.359 3.580 20 30 BHEDHN C#Cc1ccc(CN[C@@H](C)c2ccsc2)cc1 ZINC000809663314 644895072 /nfs/dbraw/zinc/89/50/72/644895072.db2.gz SOBRJCNMYOQONC-LBPRGKRZSA-N 0 3 241.359 3.580 20 30 BHEDHN C#C[C@H](NCc1cc2ccccc2s1)C(C)C ZINC000809685434 586512084 /nfs/dbraw/zinc/51/20/84/586512084.db2.gz TZQWPKVAYTUOEW-AWEZNQCLSA-N 0 3 243.375 3.649 20 30 BHEDHN C#C[C@@H](NCc1cc2ccccc2s1)C(C)C ZINC000809685435 586512288 /nfs/dbraw/zinc/51/22/88/586512288.db2.gz TZQWPKVAYTUOEW-CQSZACIVSA-N 0 3 243.375 3.649 20 30 BHEDHN C#C[C@H](NCc1cccc(SCC)c1)C(C)C ZINC000809685727 586512758 /nfs/dbraw/zinc/51/27/58/586512758.db2.gz NHCSLHGFFYTCEI-HNNXBMFYSA-N 0 3 247.407 3.546 20 30 BHEDHN C#C[C@@H](NCc1cccc(SCC)c1)C(C)C ZINC000809685728 586512641 /nfs/dbraw/zinc/51/26/41/586512641.db2.gz NHCSLHGFFYTCEI-OAHLLOKOSA-N 0 3 247.407 3.546 20 30 BHEDHN C#C[C@H](NC/C(C)=C/c1ccccc1)C(C)(C)C ZINC000809780950 586519358 /nfs/dbraw/zinc/51/93/58/586519358.db2.gz BIPPEFUROFHFBU-GRNBYLDVSA-N 0 3 241.378 3.727 20 30 BHEDHN C#C[C@H](NC/C(C)=C\c1ccccc1)C(C)(C)C ZINC000809780951 586519289 /nfs/dbraw/zinc/51/92/89/586519289.db2.gz BIPPEFUROFHFBU-HECSCLNYSA-N 0 3 241.378 3.727 20 30 BHEDHN C#C[C@@H](NC/C(C)=C\c1ccccc1)C(C)(C)C ZINC000809780952 586518948 /nfs/dbraw/zinc/51/89/48/586518948.db2.gz BIPPEFUROFHFBU-OBEJXRGXSA-N 0 3 241.378 3.727 20 30 BHEDHN C#C[C@@H](NC/C(C)=C/c1ccccc1)C(C)(C)C ZINC000809780953 586519082 /nfs/dbraw/zinc/51/90/82/586519082.db2.gz BIPPEFUROFHFBU-WCRPCQDQSA-N 0 3 241.378 3.727 20 30 BHEDHN C#C[C@H](NCc1ccc2occc2c1)C(C)(C)C ZINC000809781051 586519552 /nfs/dbraw/zinc/51/95/52/586519552.db2.gz FSAONMXIKOYFSP-HNNXBMFYSA-N 0 3 241.334 3.570 20 30 BHEDHN C#C[C@@H](NCc1ccc2occc2c1)C(C)(C)C ZINC000809781053 586519913 /nfs/dbraw/zinc/51/99/13/586519913.db2.gz FSAONMXIKOYFSP-OAHLLOKOSA-N 0 3 241.334 3.570 20 30 BHEDHN CCCCCCCCCNCc1n[nH]cc1C ZINC000810126354 586535061 /nfs/dbraw/zinc/53/50/61/586535061.db2.gz WVKFWRTYEPNFLA-UHFFFAOYSA-N 0 3 237.391 3.558 20 30 BHEDHN C=CCCCCCCCNCc1ccc(C#N)o1 ZINC000810160616 586536301 /nfs/dbraw/zinc/53/63/01/586536301.db2.gz NDDUYBGVMSRRLZ-UHFFFAOYSA-N 0 3 246.354 3.767 20 30 BHEDHN C=CCCCCCCCNCc1ccccn1 ZINC000810160629 586535922 /nfs/dbraw/zinc/53/59/22/586535922.db2.gz NTUDASWMQCCRIL-UHFFFAOYSA-N 0 3 232.371 3.698 20 30 BHEDHN C=CCCCCCCCN[C@@H](C)c1cnccn1 ZINC000810242856 586537466 /nfs/dbraw/zinc/53/74/66/586537466.db2.gz IGKPUVDDCRZCCL-AWEZNQCLSA-N 0 3 247.386 3.654 20 30 BHEDHN C=CCCCCCCCN[C@H](C)c1cnccn1 ZINC000810242857 586537094 /nfs/dbraw/zinc/53/70/94/586537094.db2.gz IGKPUVDDCRZCCL-CQSZACIVSA-N 0 3 247.386 3.654 20 30 BHEDHN C=CCCCCCCCN[C@H](C)c1ncc[nH]1 ZINC000810243155 586537290 /nfs/dbraw/zinc/53/72/90/586537290.db2.gz MEUUDMJRPZBVPS-CYBMUJFWSA-N 0 3 235.375 3.587 20 30 BHEDHN C=CCCCCCCCN[C@@H](C)c1ncc[nH]1 ZINC000810243164 586537074 /nfs/dbraw/zinc/53/70/74/586537074.db2.gz MEUUDMJRPZBVPS-ZDUSSCGKSA-N 0 3 235.375 3.587 20 30 BHEDHN C=CCCCCCCCN[C@@H](C)c1nccn1C ZINC000810243979 586537577 /nfs/dbraw/zinc/53/75/77/586537577.db2.gz WJSJMXNPDFFVRR-AWEZNQCLSA-N 0 3 249.402 3.597 20 30 BHEDHN C=CCCCCCCCN[C@H](C)c1nccn1C ZINC000810243980 586537303 /nfs/dbraw/zinc/53/73/03/586537303.db2.gz WJSJMXNPDFFVRR-CQSZACIVSA-N 0 3 249.402 3.597 20 30 BHEDHN C=CCN(Cc1ccc(SC)s1)C(C)C ZINC000811456446 586559155 /nfs/dbraw/zinc/55/91/55/586559155.db2.gz OXPYFRORVGNSPO-UHFFFAOYSA-N 0 3 241.425 3.866 20 30 BHEDHN C=C(C)CN(C)CCc1ccc(F)cc1Cl ZINC000811487671 586559943 /nfs/dbraw/zinc/55/99/43/586559943.db2.gz RLAOLFGNFLXSPN-UHFFFAOYSA-N 0 3 241.737 3.530 20 30 BHEDHN C#C[C@H](N[C@H](C)CC1CC1)c1ccc(Cl)cc1 ZINC000811516392 586560210 /nfs/dbraw/zinc/56/02/10/586560210.db2.gz NFQYBWHHHAEWQC-ABAIWWIYSA-N 0 3 247.769 3.793 20 30 BHEDHN C#C[C@@H](N[C@H](C)CC1CC1)c1ccc(Cl)cc1 ZINC000811516398 586560215 /nfs/dbraw/zinc/56/02/15/586560215.db2.gz NFQYBWHHHAEWQC-IAQYHMDHSA-N 0 3 247.769 3.793 20 30 BHEDHN C#C[C@H](N[C@@H](C)CC1CC1)c1ccc(Cl)cc1 ZINC000811516399 586560411 /nfs/dbraw/zinc/56/04/11/586560411.db2.gz NFQYBWHHHAEWQC-NHYWBVRUSA-N 0 3 247.769 3.793 20 30 BHEDHN C#C[C@@H](N[C@@H](C)CC1CC1)c1ccc(Cl)cc1 ZINC000811516401 586560371 /nfs/dbraw/zinc/56/03/71/586560371.db2.gz NFQYBWHHHAEWQC-XHDPSFHLSA-N 0 3 247.769 3.793 20 30 BHEDHN C#C[C@H](N[C@H](C)C1CCC1)c1ccc(Cl)cc1 ZINC000811517177 586560295 /nfs/dbraw/zinc/56/02/95/586560295.db2.gz KCYGQOTUDZGDCX-ABAIWWIYSA-N 0 3 247.769 3.793 20 30 BHEDHN C#C[C@@H](N[C@H](C)C1CCC1)c1ccc(Cl)cc1 ZINC000811517178 586560307 /nfs/dbraw/zinc/56/03/07/586560307.db2.gz KCYGQOTUDZGDCX-IAQYHMDHSA-N 0 3 247.769 3.793 20 30 BHEDHN C#C[C@H](N[C@@H](C)C1CCC1)c1ccc(Cl)cc1 ZINC000811517179 586560208 /nfs/dbraw/zinc/56/02/08/586560208.db2.gz KCYGQOTUDZGDCX-NHYWBVRUSA-N 0 3 247.769 3.793 20 30 BHEDHN C#C[C@@H](N[C@@H](C)C1CCC1)c1ccc(Cl)cc1 ZINC000811517180 586560270 /nfs/dbraw/zinc/56/02/70/586560270.db2.gz KCYGQOTUDZGDCX-XHDPSFHLSA-N 0 3 247.769 3.793 20 30 BHEDHN C#C[C@H](NCCC(C)(C)C)c1ccc(F)cc1 ZINC000812792034 586585080 /nfs/dbraw/zinc/58/50/80/586585080.db2.gz IWEHHFUXCYTCOX-AWEZNQCLSA-N 0 3 233.330 3.526 20 30 BHEDHN C#C[C@@H](NCCC(C)(C)C)c1ccc(F)cc1 ZINC000812792035 643379473 /nfs/dbraw/zinc/37/94/73/643379473.db2.gz IWEHHFUXCYTCOX-CQSZACIVSA-N 0 3 233.330 3.526 20 30 BHEDHN C#C[C@H](N[C@H](C)CCCC)c1ccc(F)cc1 ZINC000812792499 586585608 /nfs/dbraw/zinc/58/56/08/586585608.db2.gz CAEBIINZWQENJX-DOMZBBRYSA-N 0 3 233.330 3.668 20 30 BHEDHN C#C[C@@H](N[C@H](C)CCCC)c1ccc(F)cc1 ZINC000812792501 586585378 /nfs/dbraw/zinc/58/53/78/586585378.db2.gz CAEBIINZWQENJX-IUODEOHRSA-N 0 3 233.330 3.668 20 30 BHEDHN C#C[C@@H](N[C@@H](C)CCCC)c1ccc(F)cc1 ZINC000812792503 586585625 /nfs/dbraw/zinc/58/56/25/586585625.db2.gz CAEBIINZWQENJX-SWLSCSKDSA-N 0 3 233.330 3.668 20 30 BHEDHN C#C[C@H](N[C@@H](C)CCCC)c1ccc(F)cc1 ZINC000812792505 586585434 /nfs/dbraw/zinc/58/54/34/586585434.db2.gz CAEBIINZWQENJX-WFASDCNBSA-N 0 3 233.330 3.668 20 30 BHEDHN C#C[C@H](N[C@H](C)CC(C)C)c1ccc(F)cc1 ZINC000812792558 586585396 /nfs/dbraw/zinc/58/53/96/586585396.db2.gz DIFGBCZGURCYDH-DOMZBBRYSA-N 0 3 233.330 3.524 20 30 BHEDHN C#C[C@@H](N[C@H](C)CC(C)C)c1ccc(F)cc1 ZINC000812792560 586585448 /nfs/dbraw/zinc/58/54/48/586585448.db2.gz DIFGBCZGURCYDH-IUODEOHRSA-N 0 3 233.330 3.524 20 30 BHEDHN C#C[C@@H](N[C@@H](C)CC(C)C)c1ccc(F)cc1 ZINC000812792561 586585404 /nfs/dbraw/zinc/58/54/04/586585404.db2.gz DIFGBCZGURCYDH-SWLSCSKDSA-N 0 3 233.330 3.524 20 30 BHEDHN C#C[C@H](N[C@@H](C)CC(C)C)c1ccc(F)cc1 ZINC000812792562 586585389 /nfs/dbraw/zinc/58/53/89/586585389.db2.gz DIFGBCZGURCYDH-WFASDCNBSA-N 0 3 233.330 3.524 20 30 BHEDHN C#C[C@@H](N[C@@H](C)CC1CCC1)c1ccc(F)cc1 ZINC000812792679 586585652 /nfs/dbraw/zinc/58/56/52/586585652.db2.gz GSBOSPXFJHTCEI-BLLLJJGKSA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@H](N[C@@H](C)CC1CCC1)c1ccc(F)cc1 ZINC000812792680 586585424 /nfs/dbraw/zinc/58/54/24/586585424.db2.gz GSBOSPXFJHTCEI-LRDDRELGSA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@@H](N[C@H](C)CC1CCC1)c1ccc(F)cc1 ZINC000812792681 643380461 /nfs/dbraw/zinc/38/04/61/643380461.db2.gz GSBOSPXFJHTCEI-MLGOLLRUSA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@H](N[C@H](C)CC1CCC1)c1ccc(F)cc1 ZINC000812792682 643380379 /nfs/dbraw/zinc/38/03/79/643380379.db2.gz GSBOSPXFJHTCEI-WBMJQRKESA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@@H](N[C@@H](C)CCC1CC1)c1ccc(F)cc1 ZINC000812792770 586585586 /nfs/dbraw/zinc/58/55/86/586585586.db2.gz HTXAYTJQOSDFKB-BLLLJJGKSA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@H](N[C@@H](C)CCC1CC1)c1ccc(F)cc1 ZINC000812792772 586585410 /nfs/dbraw/zinc/58/54/10/586585410.db2.gz HTXAYTJQOSDFKB-LRDDRELGSA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@@H](N[C@H](C)CCC1CC1)c1ccc(F)cc1 ZINC000812792774 586585578 /nfs/dbraw/zinc/58/55/78/586585578.db2.gz HTXAYTJQOSDFKB-MLGOLLRUSA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@H](N[C@H](C)CCC1CC1)c1ccc(F)cc1 ZINC000812792776 586585496 /nfs/dbraw/zinc/58/54/96/586585496.db2.gz HTXAYTJQOSDFKB-WBMJQRKESA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@@H](NC1CC(C(C)C)C1)c1ccc(F)cc1 ZINC000812793509 586585588 /nfs/dbraw/zinc/58/55/88/586585588.db2.gz XGFUBFMHOHRVRZ-AVVWSFFYSA-N 0 3 245.341 3.524 20 30 BHEDHN C#C[C@H](NC1CC(C(C)C)C1)c1ccc(F)cc1 ZINC000812793510 586585598 /nfs/dbraw/zinc/58/55/98/586585598.db2.gz XGFUBFMHOHRVRZ-BCLQGDPASA-N 0 3 245.341 3.524 20 30 BHEDHN C#C[C@H](N[C@@H]1CC[C@H]1C(C)C)c1ccc(F)cc1 ZINC000812793931 586585763 /nfs/dbraw/zinc/58/57/63/586585763.db2.gz KMEUTLBSMAGQIY-HRCADAONSA-N 0 3 245.341 3.524 20 30 BHEDHN C#C[C@H](N[C@H]1CC[C@H]1C(C)C)c1ccc(F)cc1 ZINC000812793932 586585710 /nfs/dbraw/zinc/58/57/10/586585710.db2.gz KMEUTLBSMAGQIY-JYJNAYRXSA-N 0 3 245.341 3.524 20 30 BHEDHN C#C[C@H](N[C@@H]1CC[C@@H]1C(C)C)c1ccc(F)cc1 ZINC000812793933 586585868 /nfs/dbraw/zinc/58/58/68/586585868.db2.gz KMEUTLBSMAGQIY-OWCLPIDISA-N 0 3 245.341 3.524 20 30 BHEDHN C#C[C@H](N[C@H]1CC[C@@H]1C(C)C)c1ccc(F)cc1 ZINC000812793934 586585837 /nfs/dbraw/zinc/58/58/37/586585837.db2.gz KMEUTLBSMAGQIY-PMPSAXMXSA-N 0 3 245.341 3.524 20 30 BHEDHN C#C[C@@H](N[C@@H](C)C1CCCC1)c1ccc(F)cc1 ZINC000812794099 586585700 /nfs/dbraw/zinc/58/57/00/586585700.db2.gz QPQZBCUDYSZZJK-BLLLJJGKSA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@H](N[C@@H](C)C1CCCC1)c1ccc(F)cc1 ZINC000812794100 586585714 /nfs/dbraw/zinc/58/57/14/586585714.db2.gz QPQZBCUDYSZZJK-LRDDRELGSA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@@H](N[C@H](C)C1CCCC1)c1ccc(F)cc1 ZINC000812794101 586585904 /nfs/dbraw/zinc/58/59/04/586585904.db2.gz QPQZBCUDYSZZJK-MLGOLLRUSA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@H](N[C@H](C)C1CCCC1)c1ccc(F)cc1 ZINC000812794102 586585792 /nfs/dbraw/zinc/58/57/92/586585792.db2.gz QPQZBCUDYSZZJK-WBMJQRKESA-N 0 3 245.341 3.668 20 30 BHEDHN C#C[C@H](N[C@H](C)[C@H](C)CC=C)c1ccc(F)cc1 ZINC000812795460 586586077 /nfs/dbraw/zinc/58/60/77/586586077.db2.gz XSKQPXAYPURMNP-IOASZLSFSA-N 0 3 245.341 3.690 20 30 BHEDHN C#C[C@H](N[C@@H](C)[C@H](C)CC=C)c1ccc(F)cc1 ZINC000812795461 582566398 /nfs/dbraw/zinc/56/63/98/582566398.db2.gz XSKQPXAYPURMNP-WWGRRREGSA-N 0 3 245.341 3.690 20 30 BHEDHN C#C[C@H](N[C@@H](C)[C@@H](C)CC=C)c1ccc(F)cc1 ZINC000812795462 582566336 /nfs/dbraw/zinc/56/63/36/582566336.db2.gz XSKQPXAYPURMNP-XEZPLFJOSA-N 0 3 245.341 3.690 20 30 BHEDHN C#C[C@H](N[C@H](C)[C@@H](C)CC=C)c1ccc(F)cc1 ZINC000812795463 582566272 /nfs/dbraw/zinc/56/62/72/582566272.db2.gz XSKQPXAYPURMNP-ZENOOKHLSA-N 0 3 245.341 3.690 20 30 BHEDHN N#CCCC[C@H](NC/C=C\Cl)c1ccccc1 ZINC000814660671 586627379 /nfs/dbraw/zinc/62/73/79/586627379.db2.gz YJARGCHVAPCJNS-APFBBLRHSA-N 0 3 248.757 3.764 20 30 BHEDHN N#CCCC[C@@H](NC/C=C\Cl)c1ccccc1 ZINC000814660672 586627509 /nfs/dbraw/zinc/62/75/09/586627509.db2.gz YJARGCHVAPCJNS-LBIZBFCRSA-N 0 3 248.757 3.764 20 30 BHEDHN N#CCCC[C@@H](NC/C=C/Cl)c1ccccc1 ZINC000814660673 586627908 /nfs/dbraw/zinc/62/79/08/586627908.db2.gz YJARGCHVAPCJNS-OAUONFCTSA-N 0 3 248.757 3.764 20 30 BHEDHN N#CCCC[C@H](NC/C=C/Cl)c1ccccc1 ZINC000814660674 586627613 /nfs/dbraw/zinc/62/76/13/586627613.db2.gz YJARGCHVAPCJNS-XYYIANASSA-N 0 3 248.757 3.764 20 30 BHEDHN CCCCCCCCN(C)CC(C)(C)C#N ZINC000814670119 586628555 /nfs/dbraw/zinc/62/85/55/586628555.db2.gz MPTNBUMCDCDTEW-UHFFFAOYSA-N 0 3 224.392 3.828 20 30 BHEDHN C=CCN(Cc1ccc(C(C)C)nc1C)C(C)C ZINC000815021860 586664731 /nfs/dbraw/zinc/66/47/31/586664731.db2.gz UZWTWAMLIVGCDP-UHFFFAOYSA-N 0 3 246.398 3.910 20 30 BHEDHN CCCCCCCCNCc1conc1CC ZINC000815114040 586667386 /nfs/dbraw/zinc/66/73/86/586667386.db2.gz MXMRUCLEUWMDJK-UHFFFAOYSA-N 0 3 238.375 3.687 20 30 BHEDHN C=CCCCCCCCNCc1conc1C ZINC000815140725 586669700 /nfs/dbraw/zinc/66/97/00/586669700.db2.gz HLIMWAFQDPCGQB-UHFFFAOYSA-N 0 3 236.359 3.599 20 30 BHEDHN C=CCC(C)(C)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000815142607 586669262 /nfs/dbraw/zinc/66/92/62/586669262.db2.gz WKCWXGZMJWOPDS-UHFFFAOYSA-N 0 3 247.382 3.701 20 30 BHEDHN CCCCCCCN(C)Cc1conc1CC ZINC000815170077 586672209 /nfs/dbraw/zinc/67/22/09/586672209.db2.gz LYHARDWVGBOVSU-UHFFFAOYSA-N 0 3 238.375 3.639 20 30 BHEDHN C=CCC[C@@H](C)NCc1c(F)cc(F)cc1F ZINC000815650312 586690041 /nfs/dbraw/zinc/69/00/41/586690041.db2.gz OFFUGTPXHJRPLQ-SECBINFHSA-N 0 3 243.272 3.548 20 30 BHEDHN C=CCC[C@H](C)NCc1c(F)cc(F)cc1F ZINC000815650313 586690222 /nfs/dbraw/zinc/69/02/22/586690222.db2.gz OFFUGTPXHJRPLQ-VIFPVBQESA-N 0 3 243.272 3.548 20 30 BHEDHN C#C[C@H](N[C@@H]1CC=C(C)CC1)c1ccc(F)cc1 ZINC000816616839 586744624 /nfs/dbraw/zinc/74/46/24/586744624.db2.gz HRVPJENKKYMPNS-CVEARBPZSA-N 0 3 243.325 3.588 20 30 BHEDHN C#C[C@H](N[C@H]1CC=C(C)CC1)c1ccc(F)cc1 ZINC000816616840 586744461 /nfs/dbraw/zinc/74/44/61/586744461.db2.gz HRVPJENKKYMPNS-HOTGVXAUSA-N 0 3 243.325 3.588 20 30 BHEDHN C#C[C@@H](N[C@@H]1CC=C(C)CC1)c1ccc(F)cc1 ZINC000816616841 586744576 /nfs/dbraw/zinc/74/45/76/586744576.db2.gz HRVPJENKKYMPNS-HZPDHXFCSA-N 0 3 243.325 3.588 20 30 BHEDHN C#C[C@@H](N[C@H]1CC=C(C)CC1)c1ccc(F)cc1 ZINC000816616842 586744725 /nfs/dbraw/zinc/74/47/25/586744725.db2.gz HRVPJENKKYMPNS-JKSUJKDBSA-N 0 3 243.325 3.588 20 30 BHEDHN C=C[C@@H]1CCCCN1CC[C@@H]1CC1(Cl)Cl ZINC000822977194 587196365 /nfs/dbraw/zinc/19/63/65/587196365.db2.gz QAZLNJPJIFLMJY-GHMZBOCLSA-N 0 3 248.197 3.611 20 30 BHEDHN C=C[C@H]1CCCCN1CC[C@@H]1CC1(Cl)Cl ZINC000822977196 587196148 /nfs/dbraw/zinc/19/61/48/587196148.db2.gz QAZLNJPJIFLMJY-MNOVXSKESA-N 0 3 248.197 3.611 20 30 BHEDHN C=C[C@H]1CCCCN1CC[C@H]1CC1(Cl)Cl ZINC000822977198 587196378 /nfs/dbraw/zinc/19/63/78/587196378.db2.gz QAZLNJPJIFLMJY-QWRGUYRKSA-N 0 3 248.197 3.611 20 30 BHEDHN C=C[C@@H]1CCCCN1CC[C@H]1CC1(Cl)Cl ZINC000822977200 587196165 /nfs/dbraw/zinc/19/61/65/587196165.db2.gz QAZLNJPJIFLMJY-WDEREUQCSA-N 0 3 248.197 3.611 20 30 BHEDHN C=CCCCC[C@@H](C)NCC(=C)Br ZINC000823818449 587241696 /nfs/dbraw/zinc/24/16/96/587241696.db2.gz ASYSRBZYBRLBSK-LLVKDONJSA-N 0 3 246.192 3.620 20 30 BHEDHN C=CCCCC[C@H](C)NCC(=C)Br ZINC000823818450 587241768 /nfs/dbraw/zinc/24/17/68/587241768.db2.gz ASYSRBZYBRLBSK-NSHDSACASA-N 0 3 246.192 3.620 20 30 BHEDHN C=C(Cl)CN[C@H](C)Cc1coc2ccccc12 ZINC000824098280 587255326 /nfs/dbraw/zinc/25/53/26/587255326.db2.gz KCXJOMACJHXSLV-LLVKDONJSA-N 0 3 249.741 3.706 20 30 BHEDHN C=C(Cl)CN[C@@H](C)Cc1coc2ccccc12 ZINC000824098283 587255198 /nfs/dbraw/zinc/25/51/98/587255198.db2.gz KCXJOMACJHXSLV-NSHDSACASA-N 0 3 249.741 3.706 20 30 BHEDHN CCCCCCC[C@H](C)N[C@H]1CCn2ccnc21 ZINC000824525671 587273173 /nfs/dbraw/zinc/27/31/73/587273173.db2.gz CCXOOXBJWHMFLN-KBPBESRZSA-N 0 3 249.402 3.667 20 30 BHEDHN CCCCCCC[C@@H](C)N[C@H]1CCn2ccnc21 ZINC000824525673 587273159 /nfs/dbraw/zinc/27/31/59/587273159.db2.gz CCXOOXBJWHMFLN-KGLIPLIRSA-N 0 3 249.402 3.667 20 30 BHEDHN CCCCCCC[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000824525675 587273437 /nfs/dbraw/zinc/27/34/37/587273437.db2.gz CCXOOXBJWHMFLN-UONOGXRCSA-N 0 3 249.402 3.667 20 30 BHEDHN CCCCCCC[C@@H](C)N[C@@H]1CCn2ccnc21 ZINC000824525677 587273312 /nfs/dbraw/zinc/27/33/12/587273312.db2.gz CCXOOXBJWHMFLN-ZIAGYGMSSA-N 0 3 249.402 3.667 20 30 BHEDHN C=CCN(Cc1cc2ccncc2s1)C(C)C ZINC000824582257 587278233 /nfs/dbraw/zinc/27/82/33/587278233.db2.gz ZYUDLCPKSXGLNN-UHFFFAOYSA-N 0 3 246.379 3.693 20 30 BHEDHN C=CCC1([NH2+]Cc2ccccc2[O-])CCCCC1 ZINC000825024547 587299226 /nfs/dbraw/zinc/29/92/26/587299226.db2.gz QQCNXNOPYOFCPI-UHFFFAOYSA-N 0 3 245.366 3.761 20 30 BHEDHN C=CCC1(C[NH2+]Cc2ccccc2[O-])CCCC1 ZINC000825079448 587303365 /nfs/dbraw/zinc/30/33/65/587303365.db2.gz ULRPLTQITIXOJD-UHFFFAOYSA-N 0 3 245.366 3.618 20 30 BHEDHN C=CCCC1(CNCc2cc(C)on2)CCCC1 ZINC000826882798 645069577 /nfs/dbraw/zinc/06/95/77/645069577.db2.gz PPGHLKSNJQPBPX-UHFFFAOYSA-N 0 3 248.370 3.599 20 30 BHEDHN C=CCCCCN(C)Cc1ccc(Cl)nc1 ZINC000827991107 587415402 /nfs/dbraw/zinc/41/54/02/587415402.db2.gz MFHLEQJSCLZBKO-UHFFFAOYSA-N 0 3 238.762 3.523 20 30 BHEDHN CC[C@H](NCC1(C#N)CCC1)C1CCCCC1 ZINC000828721547 587458767 /nfs/dbraw/zinc/45/87/67/587458767.db2.gz CLQFVGYZDRHTHH-AWEZNQCLSA-N 0 3 234.387 3.629 20 30 BHEDHN CC[C@@H](NCC1(C#N)CCC1)C1CCCCC1 ZINC000828721548 587458724 /nfs/dbraw/zinc/45/87/24/587458724.db2.gz CLQFVGYZDRHTHH-CQSZACIVSA-N 0 3 234.387 3.629 20 30 BHEDHN C=C[C@@H]1CCCCN1C[C@@]1(C)CC1(Cl)Cl ZINC000829312559 587492394 /nfs/dbraw/zinc/49/23/94/587492394.db2.gz CLTXCMBJGQNGLT-GHMZBOCLSA-N 0 3 248.197 3.611 20 30 BHEDHN C=C[C@@H]1CCCCN1C[C@]1(C)CC1(Cl)Cl ZINC000829312561 587492455 /nfs/dbraw/zinc/49/24/55/587492455.db2.gz CLTXCMBJGQNGLT-MNOVXSKESA-N 0 3 248.197 3.611 20 30 BHEDHN C=C[C@H]1CCCCN1C[C@]1(C)CC1(Cl)Cl ZINC000829312562 587492184 /nfs/dbraw/zinc/49/21/84/587492184.db2.gz CLTXCMBJGQNGLT-QWRGUYRKSA-N 0 3 248.197 3.611 20 30 BHEDHN C=C[C@H]1CCCCN1C[C@@]1(C)CC1(Cl)Cl ZINC000829312564 587492401 /nfs/dbraw/zinc/49/24/01/587492401.db2.gz CLTXCMBJGQNGLT-WDEREUQCSA-N 0 3 248.197 3.611 20 30 BHEDHN C#CC[C@H]1CCCN([C@@H](C)c2ccccc2F)C1 ZINC000829779345 587515917 /nfs/dbraw/zinc/51/59/17/587515917.db2.gz RAOKMWCEYIBCMY-KBPBESRZSA-N 0 3 245.341 3.622 20 30 BHEDHN C#CC[C@H]1CCCN([C@H](C)c2ccccc2F)C1 ZINC000829779346 587515762 /nfs/dbraw/zinc/51/57/62/587515762.db2.gz RAOKMWCEYIBCMY-KGLIPLIRSA-N 0 3 245.341 3.622 20 30 BHEDHN C#CC[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1 ZINC000829779347 587515807 /nfs/dbraw/zinc/51/58/07/587515807.db2.gz RAOKMWCEYIBCMY-UONOGXRCSA-N 0 3 245.341 3.622 20 30 BHEDHN C#CC[C@@H]1CCCN([C@H](C)c2ccccc2F)C1 ZINC000829779348 587515589 /nfs/dbraw/zinc/51/55/89/587515589.db2.gz RAOKMWCEYIBCMY-ZIAGYGMSSA-N 0 3 245.341 3.622 20 30 BHEDHN C#CCCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000832517886 587664536 /nfs/dbraw/zinc/66/45/36/587664536.db2.gz RCKPNHWRFOTUAN-HNNXBMFYSA-N 0 3 249.304 3.515 20 30 BHEDHN C#CCCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000832517887 587664696 /nfs/dbraw/zinc/66/46/96/587664696.db2.gz RCKPNHWRFOTUAN-OAHLLOKOSA-N 0 3 249.304 3.515 20 30 BHEDHN CCCCCCCCCN[C@H]1CCn2ccnc21 ZINC000834496342 587757491 /nfs/dbraw/zinc/75/74/91/587757491.db2.gz DWVBTLWJTPEJOH-AWEZNQCLSA-N 0 3 249.402 3.668 20 30 BHEDHN CCCCCCCCCN[C@@H]1CCn2ccnc21 ZINC000834496343 587757473 /nfs/dbraw/zinc/75/74/73/587757473.db2.gz DWVBTLWJTPEJOH-CQSZACIVSA-N 0 3 249.402 3.668 20 30 BHEDHN CCCCCCCN[C@H](C)c1nccn1CC ZINC000834702538 587764811 /nfs/dbraw/zinc/76/48/11/587764811.db2.gz QHXDYBWDIHVJGM-CYBMUJFWSA-N 0 3 237.391 3.524 20 30 BHEDHN CCCCCCCN[C@@H](C)c1nccn1CC ZINC000834702539 587764762 /nfs/dbraw/zinc/76/47/62/587764762.db2.gz QHXDYBWDIHVJGM-ZDUSSCGKSA-N 0 3 237.391 3.524 20 30 BHEDHN C=CCCCCC[C@H](C)NCc1nccn1CC ZINC000834880286 587769435 /nfs/dbraw/zinc/76/94/35/587769435.db2.gz RXMOJJDGVABHNZ-AWEZNQCLSA-N 0 3 249.402 3.518 20 30 BHEDHN C=CCCCCC[C@@H](C)NCc1nccn1CC ZINC000834880287 587769315 /nfs/dbraw/zinc/76/93/15/587769315.db2.gz RXMOJJDGVABHNZ-CQSZACIVSA-N 0 3 249.402 3.518 20 30 BHEDHN C=C(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000834881708 587769350 /nfs/dbraw/zinc/76/93/50/587769350.db2.gz DLSYAADADILXKZ-CYBMUJFWSA-N 0 3 233.355 3.626 20 30 BHEDHN C=C(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000834881710 587769338 /nfs/dbraw/zinc/76/93/38/587769338.db2.gz DLSYAADADILXKZ-ZDUSSCGKSA-N 0 3 233.355 3.626 20 30 BHEDHN C=C(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834881924 587769347 /nfs/dbraw/zinc/76/93/47/587769347.db2.gz GJCHHQZTEAPGME-CMPLNLGQSA-N 0 3 249.329 3.635 20 30 BHEDHN C=C(C)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834881926 587769324 /nfs/dbraw/zinc/76/93/24/587769324.db2.gz GJCHHQZTEAPGME-JQWIXIFHSA-N 0 3 249.329 3.635 20 30 BHEDHN C=C(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834881928 587769353 /nfs/dbraw/zinc/76/93/53/587769353.db2.gz GJCHHQZTEAPGME-PWSUYJOCSA-N 0 3 249.329 3.635 20 30 BHEDHN C=C(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834881931 587769422 /nfs/dbraw/zinc/76/94/22/587769422.db2.gz GJCHHQZTEAPGME-ZYHUDNBSSA-N 0 3 249.329 3.635 20 30 BHEDHN C=C(C)CC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000834882607 587769249 /nfs/dbraw/zinc/76/92/49/587769249.db2.gz MMZKCRICPNRFFV-AWEZNQCLSA-N 0 3 233.355 3.708 20 30 BHEDHN C=C(C)CC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000834882609 587769274 /nfs/dbraw/zinc/76/92/74/587769274.db2.gz MMZKCRICPNRFFV-CQSZACIVSA-N 0 3 233.355 3.708 20 30 BHEDHN C=C(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000834883954 587769242 /nfs/dbraw/zinc/76/92/42/587769242.db2.gz VHEGJAWVNBTZPI-CYBMUJFWSA-N 0 3 233.355 3.626 20 30 BHEDHN C=C(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000834883956 587769374 /nfs/dbraw/zinc/76/93/74/587769374.db2.gz VHEGJAWVNBTZPI-ZDUSSCGKSA-N 0 3 233.355 3.626 20 30 BHEDHN C=CC(C)(C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000834884260 587769342 /nfs/dbraw/zinc/76/93/42/587769342.db2.gz XOCDZMJQJJDUQJ-CYBMUJFWSA-N 0 3 247.382 3.872 20 30 BHEDHN C=CC(C)(C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000834884263 587769455 /nfs/dbraw/zinc/76/94/55/587769455.db2.gz XOCDZMJQJJDUQJ-ZDUSSCGKSA-N 0 3 247.382 3.872 20 30 BHEDHN C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000834884431 587769267 /nfs/dbraw/zinc/76/92/67/587769267.db2.gz ZHDXJOBFDHOSOA-CYBMUJFWSA-N 0 3 247.382 3.872 20 30 BHEDHN C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000834884433 587769390 /nfs/dbraw/zinc/76/93/90/587769390.db2.gz ZHDXJOBFDHOSOA-ZDUSSCGKSA-N 0 3 247.382 3.872 20 30 BHEDHN C=CC(C)(C)CN[C@@H](C)c1cccnc1Cl ZINC000834884440 587769382 /nfs/dbraw/zinc/76/93/82/587769382.db2.gz ZJAWSVHBYOEVEG-JTQLQIEISA-N 0 3 238.762 3.598 20 30 BHEDHN C=CC(C)(C)CN[C@H](C)c1cccnc1Cl ZINC000834884441 587769400 /nfs/dbraw/zinc/76/94/00/587769400.db2.gz ZJAWSVHBYOEVEG-SNVBAGLBSA-N 0 3 238.762 3.598 20 30 BHEDHN C=C(CC)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834901600 587769907 /nfs/dbraw/zinc/76/99/07/587769907.db2.gz ADBIODIEQRMPFB-CMPLNLGQSA-N 0 3 249.329 3.635 20 30 BHEDHN C=C(CC)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834901602 587769872 /nfs/dbraw/zinc/76/98/72/587769872.db2.gz ADBIODIEQRMPFB-JQWIXIFHSA-N 0 3 249.329 3.635 20 30 BHEDHN C=C(CC)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834901606 587769855 /nfs/dbraw/zinc/76/98/55/587769855.db2.gz ADBIODIEQRMPFB-PWSUYJOCSA-N 0 3 249.329 3.635 20 30 BHEDHN C=C(CC)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834901608 587769929 /nfs/dbraw/zinc/76/99/29/587769929.db2.gz ADBIODIEQRMPFB-ZYHUDNBSSA-N 0 3 249.329 3.635 20 30 BHEDHN C=C(CC)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000834902549 587769806 /nfs/dbraw/zinc/76/98/06/587769806.db2.gz JAXJJQHESJBLQL-AWEZNQCLSA-N 0 3 233.355 3.708 20 30 BHEDHN C=C(CC)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000834902550 587770133 /nfs/dbraw/zinc/77/01/33/587770133.db2.gz JAXJJQHESJBLQL-CQSZACIVSA-N 0 3 233.355 3.708 20 30 BHEDHN C=C(CC)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000834903011 587769951 /nfs/dbraw/zinc/76/99/51/587769951.db2.gz NIXHAIOAYNQWFP-CYBMUJFWSA-N 0 3 233.355 3.626 20 30 BHEDHN C=C(CC)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000834903012 587769800 /nfs/dbraw/zinc/76/98/00/587769800.db2.gz NIXHAIOAYNQWFP-ZDUSSCGKSA-N 0 3 233.355 3.626 20 30 BHEDHN C=C(CC)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000834903032 587769843 /nfs/dbraw/zinc/76/98/43/587769843.db2.gz NXJQGCCLTWJPNN-CYBMUJFWSA-N 0 3 233.355 3.626 20 30 BHEDHN C=C(CC)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000834903033 587769949 /nfs/dbraw/zinc/76/99/49/587769949.db2.gz NXJQGCCLTWJPNN-ZDUSSCGKSA-N 0 3 233.355 3.626 20 30 BHEDHN C#CCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839127556 585093359 /nfs/dbraw/zinc/09/33/59/585093359.db2.gz UUWADDPZEQFXHE-INIZCTEOSA-N 0 3 239.362 3.627 20 30 BHEDHN C#CCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000839127558 585093342 /nfs/dbraw/zinc/09/33/42/585093342.db2.gz UUWADDPZEQFXHE-MRXNPFEDSA-N 0 3 239.362 3.627 20 30 BHEDHN C=CCCCCC[C@@H](C)NCc1cnc(C)o1 ZINC000839170601 585096283 /nfs/dbraw/zinc/09/62/83/585096283.db2.gz OUUOHEYGYWMECX-GFCCVEGCSA-N 0 3 236.359 3.598 20 30 BHEDHN C=CCCCCC[C@H](C)NCc1cnc(C)o1 ZINC000839170602 585096383 /nfs/dbraw/zinc/09/63/83/585096383.db2.gz OUUOHEYGYWMECX-LBPRGKRZSA-N 0 3 236.359 3.598 20 30 BHEDHN C=CCCCCC[C@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000839193083 585097761 /nfs/dbraw/zinc/09/77/61/585097761.db2.gz YKTFBWBQETYAHF-KBPBESRZSA-N 0 3 249.402 3.596 20 30 BHEDHN C=CCCCCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000839193085 585097850 /nfs/dbraw/zinc/09/78/50/585097850.db2.gz YKTFBWBQETYAHF-KGLIPLIRSA-N 0 3 249.402 3.596 20 30 BHEDHN C=CCCCCC[C@H](C)N[C@H](C)c1ccn(C)n1 ZINC000839193087 585097897 /nfs/dbraw/zinc/09/78/97/585097897.db2.gz YKTFBWBQETYAHF-UONOGXRCSA-N 0 3 249.402 3.596 20 30 BHEDHN C=CCCCCC[C@@H](C)N[C@H](C)c1ccn(C)n1 ZINC000839193088 585097836 /nfs/dbraw/zinc/09/78/36/585097836.db2.gz YKTFBWBQETYAHF-ZIAGYGMSSA-N 0 3 249.402 3.596 20 30 BHEDHN C=CCN(CCC1(C#N)CCCCC1)C(C)C ZINC000839467386 585104837 /nfs/dbraw/zinc/10/48/37/585104837.db2.gz STPILPQDOLTDBA-UHFFFAOYSA-N 0 3 234.387 3.747 20 30 BHEDHN C=CCCCCCCCN[C@@H](C)c1ccn(C)n1 ZINC000840750861 587919513 /nfs/dbraw/zinc/91/95/13/587919513.db2.gz BPKKXRVLOWEVJJ-AWEZNQCLSA-N 0 3 249.402 3.597 20 30 BHEDHN C=CCCCCCCCN[C@H](C)c1ccn(C)n1 ZINC000840750863 587919705 /nfs/dbraw/zinc/91/97/05/587919705.db2.gz BPKKXRVLOWEVJJ-CQSZACIVSA-N 0 3 249.402 3.597 20 30 BHEDHN Cc1ccc2c(c1)CC[C@@H]2NCC(C)(C)CC#N ZINC000840785548 585030162 /nfs/dbraw/zinc/03/01/62/585030162.db2.gz INCPZENZNWFEQO-HNNXBMFYSA-N 0 3 242.366 3.512 20 30 BHEDHN Cc1ccc2c(c1)CC[C@H]2NCC(C)(C)CC#N ZINC000840785553 585030160 /nfs/dbraw/zinc/03/01/60/585030160.db2.gz INCPZENZNWFEQO-OAHLLOKOSA-N 0 3 242.366 3.512 20 30 BHEDHN Cc1cc(F)ccc1[C@@H](C)NCC(C)(C)CC#N ZINC000840788122 585032055 /nfs/dbraw/zinc/03/20/55/585032055.db2.gz WAGSDJHUBRBGPE-GFCCVEGCSA-N 0 3 248.345 3.725 20 30 BHEDHN Cc1cc(F)ccc1[C@H](C)NCC(C)(C)CC#N ZINC000840788123 585031833 /nfs/dbraw/zinc/03/18/33/585031833.db2.gz WAGSDJHUBRBGPE-LBPRGKRZSA-N 0 3 248.345 3.725 20 30 BHEDHN C=CCCCCC[C@H](C)NCc1ccn(CC)n1 ZINC000840840267 587924682 /nfs/dbraw/zinc/92/46/82/587924682.db2.gz BWDRAJHMFZHREE-AWEZNQCLSA-N 0 3 249.402 3.518 20 30 BHEDHN C=CCCCCC[C@@H](C)NCc1ccn(CC)n1 ZINC000840840268 587924668 /nfs/dbraw/zinc/92/46/68/587924668.db2.gz BWDRAJHMFZHREE-CQSZACIVSA-N 0 3 249.402 3.518 20 30 BHEDHN C=C(Cl)CN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000841746855 587973890 /nfs/dbraw/zinc/97/38/90/587973890.db2.gz BYHXLJASFUAMOW-GARJFASQSA-N 0 3 241.787 3.582 20 30 BHEDHN C=C(Cl)CN[C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000841746858 587973612 /nfs/dbraw/zinc/97/36/12/587973612.db2.gz BYHXLJASFUAMOW-OUAUKWLOSA-N 0 3 241.787 3.582 20 30 BHEDHN N#CC1(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1 ZINC000841897970 587982514 /nfs/dbraw/zinc/98/25/14/587982514.db2.gz JPUYKMKXJWVVOV-QLFBSQMISA-N 0 3 246.398 3.629 20 30 BHEDHN N#CC1(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1 ZINC000841897979 587982827 /nfs/dbraw/zinc/98/28/27/587982827.db2.gz JPUYKMKXJWVVOV-RBSFLKMASA-N 0 3 246.398 3.629 20 30 BHEDHN N#CC1(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1 ZINC000841897982 587983046 /nfs/dbraw/zinc/98/30/46/587983046.db2.gz JPUYKMKXJWVVOV-RRFJBIMHSA-N 0 3 246.398 3.629 20 30 BHEDHN N#CC1(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 ZINC000841897985 587982879 /nfs/dbraw/zinc/98/28/79/587982879.db2.gz JPUYKMKXJWVVOV-SOUVJXGZSA-N 0 3 246.398 3.629 20 30 BHEDHN CCCCCC[C@@H](C)NCC1(C#N)CCC1 ZINC000841898268 587982491 /nfs/dbraw/zinc/98/24/91/587982491.db2.gz LIYXCMWHOGOGJN-CYBMUJFWSA-N 0 3 222.376 3.629 20 30 BHEDHN CCCCCC[C@H](C)NCC1(C#N)CCC1 ZINC000841898269 587982928 /nfs/dbraw/zinc/98/29/28/587982928.db2.gz LIYXCMWHOGOGJN-ZDUSSCGKSA-N 0 3 222.376 3.629 20 30 BHEDHN C=CCCCCC[C@H](C)NCC1(C#N)CCC1 ZINC000841898951 583777792 /nfs/dbraw/zinc/77/77/92/583777792.db2.gz RCKPSDOZUQOBRO-AWEZNQCLSA-N 0 3 234.387 3.795 20 30 BHEDHN C=CCCCCC[C@@H](C)NCC1(C#N)CCC1 ZINC000841898952 583777852 /nfs/dbraw/zinc/77/78/52/583777852.db2.gz RCKPSDOZUQOBRO-CQSZACIVSA-N 0 3 234.387 3.795 20 30 BHEDHN CCCCCCCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448450 588194533 /nfs/dbraw/zinc/19/45/33/588194533.db2.gz ALFFWVBPNMUTGC-TXEJJXNPSA-N 0 3 231.330 3.544 20 30 BHEDHN CCCCCCCCN[C@H]1CCCn2ccnc21 ZINC000848534147 588393619 /nfs/dbraw/zinc/39/36/19/588393619.db2.gz YAVZUPTUAWJBGG-AWEZNQCLSA-N 0 3 249.402 3.668 20 30 BHEDHN CCCCCCCCN[C@@H]1CCCn2ccnc21 ZINC000848534148 582798686 /nfs/dbraw/zinc/79/86/86/582798686.db2.gz YAVZUPTUAWJBGG-CQSZACIVSA-N 0 3 249.402 3.668 20 30 BHEDHN CC(C)c1ccccc1CNCC1(CC#N)CC1 ZINC000848550040 588395862 /nfs/dbraw/zinc/39/58/62/588395862.db2.gz AWCOGOPTZCMRKE-UHFFFAOYSA-N 0 3 242.366 3.593 20 30 BHEDHN CC(C)c1ccccc1CNCC(C)(C)CC#N ZINC000848556156 588396850 /nfs/dbraw/zinc/39/68/50/588396850.db2.gz OHOSFGARGPATDQ-UHFFFAOYSA-N 0 3 244.382 3.839 20 30 BHEDHN CC(C)c1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000848558868 588397075 /nfs/dbraw/zinc/39/70/75/588397075.db2.gz OYZPTLLZZNRZEE-DZGCQCFKSA-N 0 3 242.366 3.592 20 30 BHEDHN C=CCCCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000848560309 588397777 /nfs/dbraw/zinc/39/77/77/588397777.db2.gz LABJVQUNAKDQLY-AWEZNQCLSA-N 0 3 245.366 3.716 20 30 BHEDHN C=CCCCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000848560311 588397906 /nfs/dbraw/zinc/39/79/06/588397906.db2.gz LABJVQUNAKDQLY-CQSZACIVSA-N 0 3 245.366 3.716 20 30 BHEDHN C=CCCCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000848562678 588397485 /nfs/dbraw/zinc/39/74/85/588397485.db2.gz LAHLTODODXCOBK-UHFFFAOYSA-N 0 3 233.355 3.537 20 30 BHEDHN C=CCCCCCNCc1cccnc1Cl ZINC000848563882 588397682 /nfs/dbraw/zinc/39/76/82/588397682.db2.gz YLHIOTFOWAVQIM-UHFFFAOYSA-N 0 3 238.762 3.571 20 30 BHEDHN CC(C)c1ccccc1CN1CCC(C#N)CC1 ZINC000848885779 588417196 /nfs/dbraw/zinc/41/71/96/588417196.db2.gz RTCYEJRSFZTXPX-UHFFFAOYSA-N 0 3 242.366 3.546 20 30 BHEDHN CCCCCCCCCNCc1nc(C)c[nH]1 ZINC000850013435 588514380 /nfs/dbraw/zinc/51/43/80/588514380.db2.gz CHDICNMCYKRJQU-UHFFFAOYSA-N 0 3 237.391 3.558 20 30 BHEDHN C=CCCCCCCCNCc1nc(C)c(C)[nH]1 ZINC000850303068 588535681 /nfs/dbraw/zinc/53/56/81/588535681.db2.gz RIXVAEVEXZMFBF-UHFFFAOYSA-N 0 3 249.402 3.643 20 30 BHEDHN C=CCC1(NCc2coc(C3CC3)n2)CCCC1 ZINC000850388893 588543386 /nfs/dbraw/zinc/54/33/86/588543386.db2.gz OPWSUIDLSPFMFB-UHFFFAOYSA-N 0 3 246.354 3.531 20 30 BHEDHN C=CCCC(C)(C)NCc1cccnc1Cl ZINC000850417169 588544962 /nfs/dbraw/zinc/54/49/62/588544962.db2.gz NTWHVPYAVFJJOC-UHFFFAOYSA-N 0 3 238.762 3.569 20 30 BHEDHN C=C(CC)CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850473392 588548804 /nfs/dbraw/zinc/54/88/04/588548804.db2.gz YAOJALJUTJTYMG-CYBMUJFWSA-N 0 3 245.366 3.628 20 30 BHEDHN C=C(CC)CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850473393 588548899 /nfs/dbraw/zinc/54/88/99/588548899.db2.gz YAOJALJUTJTYMG-ZDUSSCGKSA-N 0 3 245.366 3.628 20 30 BHEDHN C=CCCC1(CN[C@H](C)c2ncc[nH]2)CCCC1 ZINC000850499564 588552150 /nfs/dbraw/zinc/55/21/50/588552150.db2.gz RTZADCYILPGGNJ-CYBMUJFWSA-N 0 3 247.386 3.587 20 30 BHEDHN C=CCCC1(CN[C@@H](C)c2ncc[nH]2)CCCC1 ZINC000850499565 588552071 /nfs/dbraw/zinc/55/20/71/588552071.db2.gz RTZADCYILPGGNJ-ZDUSSCGKSA-N 0 3 247.386 3.587 20 30 BHEDHN C=CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000850501483 588552815 /nfs/dbraw/zinc/55/28/15/588552815.db2.gz DJUOKPKWOOLAGV-JTQLQIEISA-N 0 3 239.746 3.581 20 30 BHEDHN C=CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000850501485 588552702 /nfs/dbraw/zinc/55/27/02/588552702.db2.gz DJUOKPKWOOLAGV-SNVBAGLBSA-N 0 3 239.746 3.581 20 30 BHEDHN C=CCCN[C@@H](C)c1ccc(OC)cc1Cl ZINC000850502911 588552826 /nfs/dbraw/zinc/55/28/26/588552826.db2.gz WLNGFJKUVVAAPE-JTQLQIEISA-N 0 3 239.746 3.575 20 30 BHEDHN C=CCCN[C@H](C)c1ccc(OC)cc1Cl ZINC000850502912 588552548 /nfs/dbraw/zinc/55/25/48/588552548.db2.gz WLNGFJKUVVAAPE-SNVBAGLBSA-N 0 3 239.746 3.575 20 30 BHEDHN C=CCC[C@@H](N[C@@H]1C=CCC1)c1ccco1 ZINC000850510862 588555165 /nfs/dbraw/zinc/55/51/65/588555165.db2.gz WVONHETZATWMGZ-CHWSQXEVSA-N 0 3 217.312 3.595 20 30 BHEDHN C=CCC[C@H](N[C@@H]1C=CCC1)c1ccco1 ZINC000850510863 588555531 /nfs/dbraw/zinc/55/55/31/588555531.db2.gz WVONHETZATWMGZ-OLZOCXBDSA-N 0 3 217.312 3.595 20 30 BHEDHN C=CCC[C@@H](N[C@H]1C=CCC1)c1ccco1 ZINC000850510864 588555278 /nfs/dbraw/zinc/55/52/78/588555278.db2.gz WVONHETZATWMGZ-QWHCGFSZSA-N 0 3 217.312 3.595 20 30 BHEDHN C=CCC[C@H](N[C@H]1C=CCC1)c1ccco1 ZINC000850510865 588555212 /nfs/dbraw/zinc/55/52/12/588555212.db2.gz WVONHETZATWMGZ-STQMWFEESA-N 0 3 217.312 3.595 20 30 BHEDHN C[C@H](CC(C)(C)C)NCC1(C#N)CCCCC1 ZINC000850549606 588559508 /nfs/dbraw/zinc/55/95/08/588559508.db2.gz HPNVFFISEPERRH-CYBMUJFWSA-N 0 3 236.403 3.875 20 30 BHEDHN C[C@@H](CC(C)(C)C)NCC1(C#N)CCCCC1 ZINC000850549607 588559674 /nfs/dbraw/zinc/55/96/74/588559674.db2.gz HPNVFFISEPERRH-ZDUSSCGKSA-N 0 3 236.403 3.875 20 30 BHEDHN C=CCCCCC[C@H](C)N[C@@H](C)c1nccn1C ZINC000850573376 588561436 /nfs/dbraw/zinc/56/14/36/588561436.db2.gz YVRFVXZIHNICGO-KBPBESRZSA-N 0 3 249.402 3.596 20 30 BHEDHN C=CCCCCC[C@@H](C)N[C@@H](C)c1nccn1C ZINC000850573377 588561252 /nfs/dbraw/zinc/56/12/52/588561252.db2.gz YVRFVXZIHNICGO-KGLIPLIRSA-N 0 3 249.402 3.596 20 30 BHEDHN C=CCCCCC[C@H](C)N[C@H](C)c1nccn1C ZINC000850573378 588561173 /nfs/dbraw/zinc/56/11/73/588561173.db2.gz YVRFVXZIHNICGO-UONOGXRCSA-N 0 3 249.402 3.596 20 30 BHEDHN C=CCCCCC[C@@H](C)N[C@H](C)c1nccn1C ZINC000850573379 588560969 /nfs/dbraw/zinc/56/09/69/588560969.db2.gz YVRFVXZIHNICGO-ZIAGYGMSSA-N 0 3 249.402 3.596 20 30 BHEDHN CC(C)c1cccc(CN2CCC(C#N)CC2)c1 ZINC000851739996 588621183 /nfs/dbraw/zinc/62/11/83/588621183.db2.gz KARQJECJYOOWBA-UHFFFAOYSA-N 0 3 242.366 3.546 20 30 BHEDHN CCC(C)(C)[C@@H](C)NCc1ccc(F)cc1C#N ZINC000852356175 588679790 /nfs/dbraw/zinc/67/97/90/588679790.db2.gz WXYUDQUEGGQNLO-LLVKDONJSA-N 0 3 248.345 3.612 20 30 BHEDHN CCC(C)(C)[C@H](C)NCc1ccc(F)cc1C#N ZINC000852356176 588679688 /nfs/dbraw/zinc/67/96/88/588679688.db2.gz WXYUDQUEGGQNLO-NSHDSACASA-N 0 3 248.345 3.612 20 30 BHEDHN C#CCCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852427382 645478855 /nfs/dbraw/zinc/47/88/55/645478855.db2.gz XFHZKAJOEMSQFE-HNNXBMFYSA-N 0 3 243.350 3.610 20 30 BHEDHN C#CCCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852427383 645480571 /nfs/dbraw/zinc/48/05/71/645480571.db2.gz XFHZKAJOEMSQFE-OAHLLOKOSA-N 0 3 243.350 3.610 20 30 BHEDHN C=CCN(Cc1ccc(Cl)nc1)C(C)(C)C ZINC000852553921 588689638 /nfs/dbraw/zinc/68/96/38/588689638.db2.gz VYDFWMVTJFBJNY-UHFFFAOYSA-N 0 3 238.762 3.522 20 30 BHEDHN C=CCN(Cc1cccc(Cl)n1)C(C)(C)C ZINC000852554109 588689770 /nfs/dbraw/zinc/68/97/70/588689770.db2.gz CISHPVRXHTWBNW-UHFFFAOYSA-N 0 3 238.762 3.522 20 30 BHEDHN C=CCN(Cc1ccnc(Cl)c1)C(C)(C)C ZINC000852554361 588689476 /nfs/dbraw/zinc/68/94/76/588689476.db2.gz KFFOJZHILUXFAO-UHFFFAOYSA-N 0 3 238.762 3.522 20 30 BHEDHN C=CCCCCCCN[C@H]1CCCc2c[nH]nc21 ZINC000857866956 588915440 /nfs/dbraw/zinc/91/54/40/588915440.db2.gz VXDUIJJIKDIXLE-AWEZNQCLSA-N 0 3 247.386 3.513 20 30 BHEDHN C=CCCCCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857866957 588915692 /nfs/dbraw/zinc/91/56/92/588915692.db2.gz VXDUIJJIKDIXLE-CQSZACIVSA-N 0 3 247.386 3.513 20 30 BHEDHN CCCCCCC[C@@H](C)N1CCc2n[nH]cc2C1 ZINC000857877743 588919089 /nfs/dbraw/zinc/91/90/89/588919089.db2.gz HKKIBZUOCONOIL-CYBMUJFWSA-N 0 3 249.402 3.517 20 30 BHEDHN CCCCCCC[C@H](C)N1CCc2n[nH]cc2C1 ZINC000857877744 588918953 /nfs/dbraw/zinc/91/89/53/588918953.db2.gz HKKIBZUOCONOIL-ZDUSSCGKSA-N 0 3 249.402 3.517 20 30 BHEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000858239289 588940041 /nfs/dbraw/zinc/94/00/41/588940041.db2.gz LCIPLSJAAZDFCL-DZGCQCFKSA-N 0 3 245.366 3.535 20 30 BHEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000858239290 588940197 /nfs/dbraw/zinc/94/01/97/588940197.db2.gz LCIPLSJAAZDFCL-HIFRSBDPSA-N 0 3 245.366 3.535 20 30 BHEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000858239291 588940482 /nfs/dbraw/zinc/94/04/82/588940482.db2.gz LCIPLSJAAZDFCL-UKRRQHHQSA-N 0 3 245.366 3.535 20 30 BHEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000858239292 588940259 /nfs/dbraw/zinc/94/02/59/588940259.db2.gz LCIPLSJAAZDFCL-ZFWWWQNUSA-N 0 3 245.366 3.535 20 30 BHEDHN CC1(C)CCC(C)(NCc2ccc(C#N)o2)CC1 ZINC000858276334 588941767 /nfs/dbraw/zinc/94/17/67/588941767.db2.gz NJXLVHWJDKPISA-UHFFFAOYSA-N 0 3 246.354 3.600 20 30 BHEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2ccns2)C1 ZINC000858577185 588968066 /nfs/dbraw/zinc/96/80/66/588968066.db2.gz QHOFSFGBZXNYFY-IJLUTSLNSA-N 0 3 236.384 3.539 20 30 BHEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2ccns2)C1 ZINC000858577186 588968361 /nfs/dbraw/zinc/96/83/61/588968361.db2.gz QHOFSFGBZXNYFY-QJPTWQEYSA-N 0 3 236.384 3.539 20 30 BHEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2ccns2)C1 ZINC000858577188 582468290 /nfs/dbraw/zinc/46/82/90/582468290.db2.gz QHOFSFGBZXNYFY-TUAOUCFPSA-N 0 3 236.384 3.539 20 30 BHEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2ccns2)C1 ZINC000858577194 582468264 /nfs/dbraw/zinc/46/82/64/582468264.db2.gz QHOFSFGBZXNYFY-UTUOFQBUSA-N 0 3 236.384 3.539 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1ccns1 ZINC000858578135 588968348 /nfs/dbraw/zinc/96/83/48/588968348.db2.gz XNVPTSPNNRVXBX-NEPJUHHUSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCCC[C@H](C)N[C@H](C)c1ccns1 ZINC000858578137 588968504 /nfs/dbraw/zinc/96/85/04/588968504.db2.gz XNVPTSPNNRVXBX-NWDGAFQWSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCCC[C@H](C)N[C@@H](C)c1ccns1 ZINC000858578139 588968478 /nfs/dbraw/zinc/96/84/78/588968478.db2.gz XNVPTSPNNRVXBX-RYUDHWBXSA-N 0 3 238.400 3.929 20 30 BHEDHN C=CCCCC[C@@H](C)N[C@H](C)c1ccns1 ZINC000858578237 588968363 /nfs/dbraw/zinc/96/83/63/588968363.db2.gz XNVPTSPNNRVXBX-VXGBXAGGSA-N 0 3 238.400 3.929 20 30 BHEDHN CCCCCCCCCN1CCc2nc[nH]c2C1 ZINC000859305201 589029192 /nfs/dbraw/zinc/02/91/92/589029192.db2.gz CWEBBXVOMLFNAM-UHFFFAOYSA-N 0 3 249.402 3.518 20 30 BHEDHN C=CCCC[C@@H](C)N[C@H](C)c1ccns1 ZINC000860059348 589078141 /nfs/dbraw/zinc/07/81/41/589078141.db2.gz ZJLOGBMGFOHACX-GHMZBOCLSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H](C)c1ccns1 ZINC000860059349 589078173 /nfs/dbraw/zinc/07/81/73/589078173.db2.gz ZJLOGBMGFOHACX-MNOVXSKESA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H](C)c1ccns1 ZINC000860059350 589078081 /nfs/dbraw/zinc/07/80/81/589078081.db2.gz ZJLOGBMGFOHACX-QWRGUYRKSA-N 0 3 224.373 3.539 20 30 BHEDHN C=CCCC[C@H](C)N[C@H](C)c1ccns1 ZINC000860059351 589077771 /nfs/dbraw/zinc/07/77/71/589077771.db2.gz ZJLOGBMGFOHACX-WDEREUQCSA-N 0 3 224.373 3.539 20 30 BHEDHN CCCCCCCNCc1cnc(C2CC2)o1 ZINC000862264621 589198119 /nfs/dbraw/zinc/19/81/19/589198119.db2.gz YPTJAMIORCJJTK-UHFFFAOYSA-N 0 3 236.359 3.612 20 30 BHEDHN N#CCCN[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000862349611 589201826 /nfs/dbraw/zinc/20/18/26/589201826.db2.gz JABWTQVEVNRVAW-CVEARBPZSA-N 0 3 242.366 3.606 20 30 BHEDHN N#CCCN[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000862349612 589201686 /nfs/dbraw/zinc/20/16/86/589201686.db2.gz JABWTQVEVNRVAW-HOTGVXAUSA-N 0 3 242.366 3.606 20 30 BHEDHN N#CCCN[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000862349613 589201811 /nfs/dbraw/zinc/20/18/11/589201811.db2.gz JABWTQVEVNRVAW-HZPDHXFCSA-N 0 3 242.366 3.606 20 30 BHEDHN N#CCCN[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000862349614 589201626 /nfs/dbraw/zinc/20/16/26/589201626.db2.gz JABWTQVEVNRVAW-JKSUJKDBSA-N 0 3 242.366 3.606 20 30 BHEDHN C=CCCCCCCNCc1cnc(C2CC2)o1 ZINC000862365539 589204564 /nfs/dbraw/zinc/20/45/64/589204564.db2.gz BGVQIESNKGEBAW-UHFFFAOYSA-N 0 3 248.370 3.778 20 30 BHEDHN C=CCCCCCCCNCc1cnc(C)o1 ZINC000862371863 589205302 /nfs/dbraw/zinc/20/53/02/589205302.db2.gz MSYPOQFMAKMGGN-UHFFFAOYSA-N 0 3 236.359 3.599 20 30 BHEDHN C=CCC[C@H](CC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000862475990 589216437 /nfs/dbraw/zinc/21/64/37/589216437.db2.gz DPKJBGGMOZFTEV-AWEZNQCLSA-N 0 3 233.355 3.535 20 30 BHEDHN C=CCC[C@@H](CC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000862475991 589216413 /nfs/dbraw/zinc/21/64/13/589216413.db2.gz DPKJBGGMOZFTEV-CQSZACIVSA-N 0 3 233.355 3.535 20 30 BHEDHN C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872068405 589863352 /nfs/dbraw/zinc/86/33/52/589863352.db2.gz HGDRTBOCNAONRX-GHMZBOCLSA-N 0 3 237.318 3.537 20 30 BHEDHN C=CC[C@H](CC)[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872068407 589863141 /nfs/dbraw/zinc/86/31/41/589863141.db2.gz HGDRTBOCNAONRX-MNOVXSKESA-N 0 3 237.318 3.537 20 30 BHEDHN C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872068409 589863652 /nfs/dbraw/zinc/86/36/52/589863652.db2.gz HGDRTBOCNAONRX-QWRGUYRKSA-N 0 3 237.318 3.537 20 30 BHEDHN C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872068411 589863842 /nfs/dbraw/zinc/86/38/42/589863842.db2.gz HGDRTBOCNAONRX-WDEREUQCSA-N 0 3 237.318 3.537 20 30 BHEDHN C=CC(C)(C)CCCN[C@H](C)c1nccn1CC ZINC000872099220 589869066 /nfs/dbraw/zinc/86/90/66/589869066.db2.gz AYGOMBSWYSIPHY-CYBMUJFWSA-N 0 3 249.402 3.546 20 30 BHEDHN C=CC(C)(C)CCCN[C@@H](C)c1nccn1CC ZINC000872099221 589869121 /nfs/dbraw/zinc/86/91/21/589869121.db2.gz AYGOMBSWYSIPHY-ZDUSSCGKSA-N 0 3 249.402 3.546 20 30 BHEDHN C=CC(C)(C)CCCN[C@H](C)c1cncs1 ZINC000872099498 589869144 /nfs/dbraw/zinc/86/91/44/589869144.db2.gz CCDDEGVJJPOPCL-LLVKDONJSA-N 0 3 238.400 3.786 20 30 BHEDHN C=CC(C)(C)CCCN[C@@H](C)c1cncs1 ZINC000872099499 589869526 /nfs/dbraw/zinc/86/95/26/589869526.db2.gz CCDDEGVJJPOPCL-NSHDSACASA-N 0 3 238.400 3.786 20 30 BHEDHN C=CC(C)(C)CCCN[C@H](C)c1nccs1 ZINC000872100142 589870071 /nfs/dbraw/zinc/87/00/71/589870071.db2.gz HLXWPZLPTHFFQG-LLVKDONJSA-N 0 3 238.400 3.786 20 30 BHEDHN C=CC(C)(C)CCCN[C@@H](C)c1nccs1 ZINC000872100143 589870342 /nfs/dbraw/zinc/87/03/42/589870342.db2.gz HLXWPZLPTHFFQG-NSHDSACASA-N 0 3 238.400 3.786 20 30 BHEDHN C=CC(C)(C)CCCN[C@H](C)c1ccccn1 ZINC000872101708 589869878 /nfs/dbraw/zinc/86/98/78/589869878.db2.gz NDHRRTFLCCMSLJ-CYBMUJFWSA-N 0 3 232.371 3.725 20 30 BHEDHN C=CC(C)(C)CCCN[C@H](C)c1cscn1 ZINC000872102751 589871106 /nfs/dbraw/zinc/87/11/06/589871106.db2.gz SWXBLDMHVTXOLY-LLVKDONJSA-N 0 3 238.400 3.786 20 30 BHEDHN C=CC(C)(C)CCCN[C@@H](C)c1cscn1 ZINC000872102752 589870983 /nfs/dbraw/zinc/87/09/83/589870983.db2.gz SWXBLDMHVTXOLY-NSHDSACASA-N 0 3 238.400 3.786 20 30 BHEDHN C=CCC[C@@H](CC)NCc1ncc(Cl)s1 ZINC000872115109 589874934 /nfs/dbraw/zinc/87/49/34/589874934.db2.gz HLEDJSYWNVLZNV-SECBINFHSA-N 0 3 244.791 3.631 20 30 BHEDHN C=CCC[C@H](CC)NCc1ncc(Cl)s1 ZINC000872115111 589874980 /nfs/dbraw/zinc/87/49/80/589874980.db2.gz HLEDJSYWNVLZNV-VIFPVBQESA-N 0 3 244.791 3.631 20 30 BHEDHN C=CCC[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128085 589877750 /nfs/dbraw/zinc/87/77/50/589877750.db2.gz BTBIRIRLDBAKJE-NEPJUHHUSA-N 0 3 248.326 3.600 20 30 BHEDHN C=CCC[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128086 589877215 /nfs/dbraw/zinc/87/72/15/589877215.db2.gz BTBIRIRLDBAKJE-RYUDHWBXSA-N 0 3 248.326 3.600 20 30 BHEDHN C=CCC[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129487 589877672 /nfs/dbraw/zinc/87/76/72/589877672.db2.gz BTBIRIRLDBAKJE-NWDGAFQWSA-N 0 3 248.326 3.600 20 30 BHEDHN C=CCC[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129488 589877789 /nfs/dbraw/zinc/87/77/89/589877789.db2.gz BTBIRIRLDBAKJE-VXGBXAGGSA-N 0 3 248.326 3.600 20 30 BHEDHN C=CCC[C@H](CCC)N[C@@H](C)c1nccnc1C ZINC000872133081 589878264 /nfs/dbraw/zinc/87/82/64/589878264.db2.gz JYHUPUCFXIECGM-KBPBESRZSA-N 0 3 247.386 3.571 20 30 BHEDHN C=CCC[C@H](CCC)N[C@H](C)c1nccnc1C ZINC000872133082 589878235 /nfs/dbraw/zinc/87/82/35/589878235.db2.gz JYHUPUCFXIECGM-KGLIPLIRSA-N 0 3 247.386 3.571 20 30 BHEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1nccnc1C ZINC000872133097 589877964 /nfs/dbraw/zinc/87/79/64/589877964.db2.gz JYHUPUCFXIECGM-UONOGXRCSA-N 0 3 247.386 3.571 20 30 BHEDHN C=CCC[C@@H](CCC)N[C@H](C)c1nccnc1C ZINC000872133098 589878178 /nfs/dbraw/zinc/87/81/78/589878178.db2.gz JYHUPUCFXIECGM-ZIAGYGMSSA-N 0 3 247.386 3.571 20 30 BHEDHN C=C1C[C@H]2CC[C@@H](C1)N2c1ccncc1C1CC1 ZINC000872603460 589956142 /nfs/dbraw/zinc/95/61/42/589956142.db2.gz XICDQCUPXQJGTK-OKILXGFUSA-N 0 3 240.350 3.646 20 30 BHEDHN C=CC(C)(C)CCCNCc1csc(C)n1 ZINC000873151446 589987023 /nfs/dbraw/zinc/98/70/23/589987023.db2.gz KBOAHODCLJDYLI-UHFFFAOYSA-N 0 3 238.400 3.534 20 30 BHEDHN C=CC(C)(C)CCCNCc1nccn1C(C)C ZINC000873151551 589987087 /nfs/dbraw/zinc/98/70/87/589987087.db2.gz KYYHRWCQWWZNFV-UHFFFAOYSA-N 0 3 249.402 3.546 20 30 BHEDHN C=CC(C)(C)CCCNCc1ccnn1C(C)C ZINC000873151830 589987017 /nfs/dbraw/zinc/98/70/17/589987017.db2.gz QCTNAZADJLUYLZ-UHFFFAOYSA-N 0 3 249.402 3.546 20 30 BHEDHN C=CC(C)(C)CCCNCc1ncc(C)s1 ZINC000873151936 589987149 /nfs/dbraw/zinc/98/71/49/589987149.db2.gz SVICHVGIQMVPQY-UHFFFAOYSA-N 0 3 238.400 3.534 20 30 BHEDHN C=CC(C)(C)CCCNCc1nc(C)cs1 ZINC000873151973 589987092 /nfs/dbraw/zinc/98/70/92/589987092.db2.gz UEFQWKJETUPVIB-UHFFFAOYSA-N 0 3 238.400 3.534 20 30 BHEDHN CCCCCCCNCc1cc(C2CC2)no1 ZINC000876898609 590255545 /nfs/dbraw/zinc/25/55/45/590255545.db2.gz VJJSJFCLHGRZRI-UHFFFAOYSA-N 0 3 236.359 3.612 20 30 BHEDHN C#CCCCCCCN[C@H](C)c1c(C)noc1C ZINC000877046464 590274053 /nfs/dbraw/zinc/27/40/53/590274053.db2.gz MCKIIICPEPALIP-GFCCVEGCSA-N 0 3 248.370 3.526 20 30 BHEDHN C#CCCCCCCN[C@@H](C)c1c(C)noc1C ZINC000877046466 590274074 /nfs/dbraw/zinc/27/40/74/590274074.db2.gz MCKIIICPEPALIP-LBPRGKRZSA-N 0 3 248.370 3.526 20 30 BHEDHN C=CCCCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC000877136042 590291092 /nfs/dbraw/zinc/29/10/92/590291092.db2.gz WHEJNJIPFQACHZ-GFCCVEGCSA-N 0 3 248.370 3.777 20 30 BHEDHN C=CCCCC[C@H](C)NCc1cc(C2CC2)no1 ZINC000877136043 590291234 /nfs/dbraw/zinc/29/12/34/590291234.db2.gz WHEJNJIPFQACHZ-LBPRGKRZSA-N 0 3 248.370 3.777 20 30 BHEDHN C=CCCC[C@@H](C)NCc1nc(Cl)cs1 ZINC000877137533 590290853 /nfs/dbraw/zinc/29/08/53/590290853.db2.gz XGMJKPMRQDULIW-SECBINFHSA-N 0 3 244.791 3.631 20 30 BHEDHN C=CCCC[C@H](C)NCc1nc(Cl)cs1 ZINC000877137534 590291198 /nfs/dbraw/zinc/29/11/98/590291198.db2.gz XGMJKPMRQDULIW-VIFPVBQESA-N 0 3 244.791 3.631 20 30 BHEDHN C#CCCCCCCN(C)[C@@H](C)c1ccccn1 ZINC000877169304 590296020 /nfs/dbraw/zinc/29/60/20/590296020.db2.gz BLWTWJBALQFEND-HNNXBMFYSA-N 0 3 244.382 3.658 20 30 BHEDHN C#CCCCCCCN(C)[C@H](C)c1ccccn1 ZINC000877169305 590295929 /nfs/dbraw/zinc/29/59/29/590295929.db2.gz BLWTWJBALQFEND-OAHLLOKOSA-N 0 3 244.382 3.658 20 30 BHEDHN C#CCCCCCCN(C)[C@@H](C)c1ccncc1 ZINC000877316946 590314347 /nfs/dbraw/zinc/31/43/47/590314347.db2.gz DNCARFNLIQTEFA-HNNXBMFYSA-N 0 3 244.382 3.658 20 30 BHEDHN C#CCCCCCCN(C)[C@H](C)c1ccncc1 ZINC000877317046 590314108 /nfs/dbraw/zinc/31/41/08/590314108.db2.gz DNCARFNLIQTEFA-OAHLLOKOSA-N 0 3 244.382 3.658 20 30 BHEDHN C#CCCCCCCN(C)[C@@H](C)c1cccnc1 ZINC000877317419 590314358 /nfs/dbraw/zinc/31/43/58/590314358.db2.gz NBXBKGCVVLRMKS-HNNXBMFYSA-N 0 3 244.382 3.658 20 30 BHEDHN C#CCCCCCCN(C)[C@H](C)c1cccnc1 ZINC000877317420 590314377 /nfs/dbraw/zinc/31/43/77/590314377.db2.gz NBXBKGCVVLRMKS-OAHLLOKOSA-N 0 3 244.382 3.658 20 30 BHEDHN C=CCCCCCCNCc1cc(C2CC2)no1 ZINC000877522705 590347194 /nfs/dbraw/zinc/34/71/94/590347194.db2.gz QEKJFLHXIHNIEG-UHFFFAOYSA-N 0 3 248.370 3.778 20 30 BHEDHN C=CCCCCC[C@@H](C)NCc1conc1C ZINC000877563046 590360280 /nfs/dbraw/zinc/36/02/80/590360280.db2.gz FQNBGJASPVDNIE-GFCCVEGCSA-N 0 3 236.359 3.598 20 30 BHEDHN C=CCCCCC[C@H](C)NCc1conc1C ZINC000877563049 590359801 /nfs/dbraw/zinc/35/98/01/590359801.db2.gz FQNBGJASPVDNIE-LBPRGKRZSA-N 0 3 236.359 3.598 20 30 BHEDHN C=CCCCCCNCc1nc(Cl)cs1 ZINC000877618578 590375938 /nfs/dbraw/zinc/37/59/38/590375938.db2.gz ZQTDVCUJXCEISM-UHFFFAOYSA-N 0 3 244.791 3.633 20 30 BHEDHN C=CCCC(C)(C)NCc1nc(Cl)cs1 ZINC000877641362 590382334 /nfs/dbraw/zinc/38/23/34/590382334.db2.gz SDIAMHFLRNWMAA-UHFFFAOYSA-N 0 3 244.791 3.631 20 30 BHEDHN C[C@H](CCC#N)CNCc1ccc(C(C)(C)C)o1 ZINC000877735413 590403846 /nfs/dbraw/zinc/40/38/46/590403846.db2.gz TURLELYBQXIPSG-GFCCVEGCSA-N 0 3 248.370 3.607 20 30 BHEDHN C[C@@H](CCC#N)CNCc1ccc(C(C)(C)C)o1 ZINC000877735415 590403621 /nfs/dbraw/zinc/40/36/21/590403621.db2.gz TURLELYBQXIPSG-LBPRGKRZSA-N 0 3 248.370 3.607 20 30 BHEDHN C#CCCCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755398 583345616 /nfs/dbraw/zinc/34/56/16/583345616.db2.gz AHQBFRYQYXAQGZ-CQSZACIVSA-N 0 3 245.366 3.627 20 30 BHEDHN C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756271 590417924 /nfs/dbraw/zinc/41/79/24/590417924.db2.gz DVWRFHUWEWWICL-FRRDWIJNSA-N 0 3 233.355 3.644 20 30 BHEDHN C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756272 590417911 /nfs/dbraw/zinc/41/79/11/590417911.db2.gz DVWRFHUWEWWICL-JHJVBQTASA-N 0 3 233.355 3.644 20 30 BHEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756273 590417899 /nfs/dbraw/zinc/41/78/99/590417899.db2.gz DVWRFHUWEWWICL-RWMBFGLXSA-N 0 3 233.355 3.644 20 30 BHEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756274 590417779 /nfs/dbraw/zinc/41/77/79/590417779.db2.gz DVWRFHUWEWWICL-YNEHKIRRSA-N 0 3 233.355 3.644 20 30 BHEDHN C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757065 590417670 /nfs/dbraw/zinc/41/76/70/590417670.db2.gz DVWRFHUWEWWICL-AGIUHOORSA-N 0 3 233.355 3.644 20 30 BHEDHN C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757066 590418156 /nfs/dbraw/zinc/41/81/56/590418156.db2.gz DVWRFHUWEWWICL-AVGNSLFASA-N 0 3 233.355 3.644 20 30 BHEDHN C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757067 590417725 /nfs/dbraw/zinc/41/77/25/590417725.db2.gz DVWRFHUWEWWICL-UPJWGTAASA-N 0 3 233.355 3.644 20 30 BHEDHN C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757068 590417827 /nfs/dbraw/zinc/41/78/27/590417827.db2.gz DVWRFHUWEWWICL-XQQFMLRXSA-N 0 3 233.355 3.644 20 30 BHEDHN C#CCCCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757948 583346001 /nfs/dbraw/zinc/34/60/01/583346001.db2.gz AHQBFRYQYXAQGZ-AWEZNQCLSA-N 0 3 245.366 3.627 20 30 BHEDHN C=CC(C)(C)CCCNCc1cc(C2CC2)no1 ZINC000877804086 590424963 /nfs/dbraw/zinc/42/49/63/590424963.db2.gz NMUGYICHKIMAEE-UHFFFAOYSA-N 0 3 248.370 3.634 20 30 BHEDHN C=CC(C)(C)CCCNCc1cnc(C2CC2)o1 ZINC000877804539 590425787 /nfs/dbraw/zinc/42/57/87/590425787.db2.gz ZNKYYXJXROYGQP-UHFFFAOYSA-N 0 3 248.370 3.634 20 30 BHEDHN C=CC[C@@H](C)N(C)Cc1nc2ccccc2s1 ZINC000877940362 590452737 /nfs/dbraw/zinc/45/27/37/590452737.db2.gz ACSVWWULYSGBRM-LLVKDONJSA-N 0 3 246.379 3.693 20 30 BHEDHN C=CC[C@H](C)N(C)Cc1nc2ccccc2s1 ZINC000877940363 590453384 /nfs/dbraw/zinc/45/33/84/590453384.db2.gz ACSVWWULYSGBRM-NSHDSACASA-N 0 3 246.379 3.693 20 30 BHEDHN C=CC[C@@H](C)N1CC[C@@H]1c1cccc(F)c1 ZINC000878166019 590512897 /nfs/dbraw/zinc/51/28/97/590512897.db2.gz JPSDWVADPBEPBF-BXUZGUMPSA-N 0 3 219.303 3.537 20 30 BHEDHN C=CC[C@H](C)N1CC[C@H]1c1cccc(F)c1 ZINC000878166020 590513153 /nfs/dbraw/zinc/51/31/53/590513153.db2.gz JPSDWVADPBEPBF-FZMZJTMJSA-N 0 3 219.303 3.537 20 30 BHEDHN C=CC[C@@H](C)N1CC[C@H]1c1cccc(F)c1 ZINC000878166021 590512730 /nfs/dbraw/zinc/51/27/30/590512730.db2.gz JPSDWVADPBEPBF-RISCZKNCSA-N 0 3 219.303 3.537 20 30 BHEDHN C=CC[C@H](C)N1CC[C@@H]1c1cccc(F)c1 ZINC000878166022 590513207 /nfs/dbraw/zinc/51/32/07/590513207.db2.gz JPSDWVADPBEPBF-SMDDNHRTSA-N 0 3 219.303 3.537 20 30 BHEDHN CC[C@](C)(NCC1(CC#N)CC1)c1ccccc1 ZINC000878361917 590554626 /nfs/dbraw/zinc/55/46/26/590554626.db2.gz IUVWCRIFRYCKEQ-HNNXBMFYSA-N 0 3 242.366 3.595 20 30 BHEDHN CC[C@@](C)(NCC1(CC#N)CC1)c1ccccc1 ZINC000878361919 590554723 /nfs/dbraw/zinc/55/47/23/590554723.db2.gz IUVWCRIFRYCKEQ-OAHLLOKOSA-N 0 3 242.366 3.595 20 30 BHEDHN C#CCCCCCN[C@@H](CC)c1c(C)noc1C ZINC000878412981 590562867 /nfs/dbraw/zinc/56/28/67/590562867.db2.gz CQKRZZDRHIFHPB-AWEZNQCLSA-N 0 3 248.370 3.526 20 30 BHEDHN C#CCCCCCN[C@H](CC)c1c(C)noc1C ZINC000878412982 590562715 /nfs/dbraw/zinc/56/27/15/590562715.db2.gz CQKRZZDRHIFHPB-CQSZACIVSA-N 0 3 248.370 3.526 20 30 BHEDHN C=CC[C@@H]1N(Cc2nocc2C)CCCC1(C)C ZINC000878516841 590585416 /nfs/dbraw/zinc/58/54/16/590585416.db2.gz WOHAEDJIQIFVBA-AWEZNQCLSA-N 0 3 248.370 3.550 20 30 BHEDHN C=CC[C@H]1N(Cc2nocc2C)CCCC1(C)C ZINC000878516842 590585129 /nfs/dbraw/zinc/58/51/29/590585129.db2.gz WOHAEDJIQIFVBA-CQSZACIVSA-N 0 3 248.370 3.550 20 30 BHEDHN C=CCCC[C@H](NCCCC#N)c1ccccc1 ZINC000880389429 591019567 /nfs/dbraw/zinc/01/95/67/591019567.db2.gz UHKBMCLZLFJEOU-INIZCTEOSA-N 0 3 242.366 3.977 20 30 BHEDHN C=CCCC[C@@H](NCCCC#N)c1ccccc1 ZINC000880389430 591020313 /nfs/dbraw/zinc/02/03/13/591020313.db2.gz UHKBMCLZLFJEOU-MRXNPFEDSA-N 0 3 242.366 3.977 20 30 BHEDHN C=CCC1(NCc2nc(C(C)C)c[nH]2)CCCC1 ZINC000883175309 591562038 /nfs/dbraw/zinc/56/20/38/591562038.db2.gz DINJPPBGNSAJSS-UHFFFAOYSA-N 0 3 247.386 3.512 20 30 BHEDHN C=CCCC(C)(C)CNCc1nc(C(C)C)c[nH]1 ZINC000883194250 591569671 /nfs/dbraw/zinc/56/96/71/591569671.db2.gz QTFNERGATSSYHR-UHFFFAOYSA-N 0 3 249.402 3.615 20 30 BHEDHN C=CC(C)(C)CCCNCc1nc(C(C)C)c[nH]1 ZINC000883203220 591571563 /nfs/dbraw/zinc/57/15/63/591571563.db2.gz WQANUOUOSQMKFH-UHFFFAOYSA-N 0 3 249.402 3.615 20 30 BHEDHN CC[C@H](NCCCC#N)c1sccc1Cl ZINC000883215696 591575966 /nfs/dbraw/zinc/57/59/66/591575966.db2.gz DMIITZPNKZYNLZ-JTQLQIEISA-N 0 3 242.775 3.746 20 30 BHEDHN CC[C@@H](NCCCC#N)c1sccc1Cl ZINC000883215697 591574980 /nfs/dbraw/zinc/57/49/80/591574980.db2.gz DMIITZPNKZYNLZ-SNVBAGLBSA-N 0 3 242.775 3.746 20 30 BHEDHN CC(=NOC1CCCC1)c1c(C)cc(N)cc1C ZINC000884445541 591936809 /nfs/dbraw/zinc/93/68/09/591936809.db2.gz PZALXXXDTDBEGU-UHFFFAOYSA-N 0 3 246.354 3.569 20 30 BHEDHN C=CCCCCCNCc1ccc(Cl)cn1 ZINC000886155550 592164721 /nfs/dbraw/zinc/16/47/21/592164721.db2.gz IKNZLBXXIDFKLH-UHFFFAOYSA-N 0 3 238.762 3.571 20 30 BHEDHN C=CC(C)(C)CCCN[C@H]1CCc2cccnc21 ZINC000886650634 592288898 /nfs/dbraw/zinc/28/88/98/592288898.db2.gz ZYUPKGSCUPYTKU-AWEZNQCLSA-N 0 3 244.382 3.651 20 30 BHEDHN C=CC(C)(C)CCCN[C@@H]1CCc2cccnc21 ZINC000886650635 592288803 /nfs/dbraw/zinc/28/88/03/592288803.db2.gz ZYUPKGSCUPYTKU-CQSZACIVSA-N 0 3 244.382 3.651 20 30 BHEDHN C=CCC[C@@H](CCC)NCc1cc(C2CC2)no1 ZINC000886683119 592302483 /nfs/dbraw/zinc/30/24/83/592302483.db2.gz XPZOBODQBGAAIK-CYBMUJFWSA-N 0 3 248.370 3.777 20 30 BHEDHN C=CCC[C@H](CCC)NCc1cc(C2CC2)no1 ZINC000886683120 592302715 /nfs/dbraw/zinc/30/27/15/592302715.db2.gz XPZOBODQBGAAIK-ZDUSSCGKSA-N 0 3 248.370 3.777 20 30 BHEDHN N#Cc1cc(CN(C2CC2)C2CCCC2)cs1 ZINC000891600136 582700807 /nfs/dbraw/zinc/70/08/07/582700807.db2.gz RSHDHHKYQZLALA-UHFFFAOYSA-N 0 3 246.379 3.527 20 30 BHEDHN C=CCCN(C)Cc1ccc(C(F)F)c(F)c1 ZINC000893930198 583250602 /nfs/dbraw/zinc/25/06/02/583250602.db2.gz UJYVDXIDGAWHKV-UHFFFAOYSA-N 0 3 243.272 3.771 20 30 BHEDHN C=CCN(Cc1ocnc1C)CC1CCCCC1 ZINC000894021256 583274890 /nfs/dbraw/zinc/27/48/90/583274890.db2.gz QKJYMYUBHCTGQE-UHFFFAOYSA-N 0 3 248.370 3.551 20 30 BHEDHN C=CC[C@H](C)[NH2+]Cc1cc2c(cccc2[O-])s1 ZINC000894259298 583397700 /nfs/dbraw/zinc/39/77/00/583397700.db2.gz ACJGVZGXWYTJKS-JTQLQIEISA-N 0 3 247.363 3.661 20 30 BHEDHN C=CC[C@@H](C)[NH2+]Cc1cc2c(cccc2[O-])s1 ZINC000894259299 583397713 /nfs/dbraw/zinc/39/77/13/583397713.db2.gz ACJGVZGXWYTJKS-SNVBAGLBSA-N 0 3 247.363 3.661 20 30 BHEDHN C=CC[C@@H]1N(Cc2ocnc2C)CCCC1(C)C ZINC000894574033 583486582 /nfs/dbraw/zinc/48/65/82/583486582.db2.gz LHZADOZYRWNZQN-AWEZNQCLSA-N 0 3 248.370 3.550 20 30 BHEDHN C=CC[C@H]1N(Cc2ocnc2C)CCCC1(C)C ZINC000894574034 583486781 /nfs/dbraw/zinc/48/67/81/583486781.db2.gz LHZADOZYRWNZQN-CQSZACIVSA-N 0 3 248.370 3.550 20 30 BHEDHN N#Cc1cc(CN(C2CCC2)C2CCC2)cs1 ZINC000894592342 583492128 /nfs/dbraw/zinc/49/21/28/583492128.db2.gz LDSXNKOTWTULOI-UHFFFAOYSA-N 0 3 246.379 3.527 20 30 BHEDHN C=CCCCCCCCNCc1ocnc1C ZINC000894789686 583519953 /nfs/dbraw/zinc/51/99/53/583519953.db2.gz IZTMLWXWCYIZFG-UHFFFAOYSA-N 0 3 236.359 3.599 20 30 BHEDHN C=CCCC1(CNCc2ocnc2C)CCCC1 ZINC000895231926 583629139 /nfs/dbraw/zinc/62/91/39/583629139.db2.gz WNAYOGVPGPAJLP-UHFFFAOYSA-N 0 3 248.370 3.599 20 30 BHEDHN C=CCCC(C)(C)NCc1ccc(OCC)o1 ZINC000895471754 583680258 /nfs/dbraw/zinc/68/02/58/583680258.db2.gz ZLYNUWHDIPXCAT-UHFFFAOYSA-N 0 3 237.343 3.513 20 30 BHEDHN C=CC(C)(C)NCc1ccc(C(F)F)cc1 ZINC000898460005 584137465 /nfs/dbraw/zinc/13/74/65/584137465.db2.gz ASYZUEWBOJFXHT-UHFFFAOYSA-N 0 3 225.282 3.678 20 30 BHEDHN C=CC(C)(C)NCc1cc2ccc(C)cc2[nH]1 ZINC000898460557 584138194 /nfs/dbraw/zinc/13/81/94/584138194.db2.gz OFEVTAQHFISJCO-UHFFFAOYSA-N 0 3 228.339 3.531 20 30 BHEDHN C=CC(C)(C)NCc1ccc(SC)s1 ZINC000898460612 584137994 /nfs/dbraw/zinc/13/79/94/584137994.db2.gz PUNOEYCJEQJCBB-UHFFFAOYSA-N 0 3 227.398 3.524 20 30 BHEDHN C=CC(C)(C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000898460619 584138284 /nfs/dbraw/zinc/13/82/84/584138284.db2.gz PXBFALBONJNZOS-UHFFFAOYSA-N 0 3 242.366 3.542 20 30 BHEDHN C=CC(C)(C)NCc1ccc2nc(C)sc2c1 ZINC000898460850 584138045 /nfs/dbraw/zinc/13/80/45/584138045.db2.gz UTLOQJSHESIXCJ-UHFFFAOYSA-N 0 3 246.379 3.659 20 30 BHEDHN C=CC(C)(C)NCc1cc2c(cccc2C)[nH]1 ZINC000898461039 584137876 /nfs/dbraw/zinc/13/78/76/584137876.db2.gz YOODNALAPZUAIM-UHFFFAOYSA-N 0 3 228.339 3.531 20 30 BHEDHN C=CC(C)(C)NCc1ccc2nc(C)ccc2c1 ZINC000898461057 584138056 /nfs/dbraw/zinc/13/80/56/584138056.db2.gz YXYGHMKJWZSKKF-UHFFFAOYSA-N 0 3 240.350 3.597 20 30 BHEDHN C=CC(C)(C)NCc1ccc(C(F)F)c(F)c1 ZINC000898463328 584138563 /nfs/dbraw/zinc/13/85/63/584138563.db2.gz XLYBFHLVTMIFKX-UHFFFAOYSA-N 0 3 243.272 3.818 20 30 BHEDHN CCCCC[C@@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902720139 584659376 /nfs/dbraw/zinc/65/93/76/584659376.db2.gz DKLIVYJBIDESBF-CHWSQXEVSA-N 0 3 245.370 3.573 20 30 BHEDHN CCCCC[C@@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902720140 584659298 /nfs/dbraw/zinc/65/92/98/584659298.db2.gz DKLIVYJBIDESBF-OLZOCXBDSA-N 0 3 245.370 3.573 20 30 BHEDHN CCCCC[C@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902720141 584659352 /nfs/dbraw/zinc/65/93/52/584659352.db2.gz DKLIVYJBIDESBF-QWHCGFSZSA-N 0 3 245.370 3.573 20 30 BHEDHN CCCCC[C@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902720142 584659223 /nfs/dbraw/zinc/65/92/23/584659223.db2.gz DKLIVYJBIDESBF-STQMWFEESA-N 0 3 245.370 3.573 20 30 BHEDHN CCCCCCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902896074 584690568 /nfs/dbraw/zinc/69/05/68/584690568.db2.gz HDFJYPUCIPUJLN-CYBMUJFWSA-N 0 3 245.370 3.574 20 30 BHEDHN CCCCCCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902896075 584690821 /nfs/dbraw/zinc/69/08/21/584690821.db2.gz HDFJYPUCIPUJLN-ZDUSSCGKSA-N 0 3 245.370 3.574 20 30 BHEDHN CC[C@H](NCC=C(C)C)c1cccc(C#N)c1 ZINC000902969980 584702216 /nfs/dbraw/zinc/70/22/16/584702216.db2.gz JPBRMUGFNIUHMS-HNNXBMFYSA-N 0 3 228.339 3.565 20 30 BHEDHN CC[C@@H](NCC=C(C)C)c1cccc(C#N)c1 ZINC000902969982 584702456 /nfs/dbraw/zinc/70/24/56/584702456.db2.gz JPBRMUGFNIUHMS-OAHLLOKOSA-N 0 3 228.339 3.565 20 30 BHEDHN C=C(CC)CN[C@@H](CC)c1cccc(C#N)c1 ZINC000903014044 584717873 /nfs/dbraw/zinc/71/78/73/584717873.db2.gz MIDBQDJJNQELBP-HNNXBMFYSA-N 0 3 228.339 3.565 20 30 BHEDHN C=C(CC)CN[C@H](CC)c1cccc(C#N)c1 ZINC000903014045 584718056 /nfs/dbraw/zinc/71/80/56/584718056.db2.gz MIDBQDJJNQELBP-OAHLLOKOSA-N 0 3 228.339 3.565 20 30 BHEDHN CC[C@@H](CCc1ccccc1)NCC(C)(C)C#N ZINC000903101345 584727407 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MGHQKOJYHMCWGU-GXTWGEPZSA-N 0 3 247.769 3.501 20 30 BHEDHN C#CC[C@H](N[C@@H](C)C1(Cl)CC1)c1ccccc1 ZINC000925634882 646378652 /nfs/dbraw/zinc/37/86/52/646378652.db2.gz MGHQKOJYHMCWGU-JSGCOSHPSA-N 0 3 247.769 3.501 20 30 BHEDHN C#CC[C@H](N[C@H](C)C1(Cl)CC1)c1ccccc1 ZINC000925634883 646378209 /nfs/dbraw/zinc/37/82/09/646378209.db2.gz MGHQKOJYHMCWGU-OCCSQVGLSA-N 0 3 247.769 3.501 20 30 BHEDHN C#CC[C@@H](N[C@H](C)C1(Cl)CC1)c1ccccc1 ZINC000925634884 646377864 /nfs/dbraw/zinc/37/78/64/646377864.db2.gz MGHQKOJYHMCWGU-TZMCWYRMSA-N 0 3 247.769 3.501 20 30 BHEDHN C=CCCC[C@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000925711990 646437401 /nfs/dbraw/zinc/43/74/01/646437401.db2.gz YRYOKHIFNCVABV-AAEUAGOBSA-N 0 3 248.370 3.695 20 30 BHEDHN C=CCCC[C@@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000925711991 646436515 /nfs/dbraw/zinc/43/65/15/646436515.db2.gz YRYOKHIFNCVABV-DGCLKSJQSA-N 0 3 248.370 3.695 20 30 BHEDHN C=CCCC[C@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000925711993 646436775 /nfs/dbraw/zinc/43/67/75/646436775.db2.gz 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248.370 3.552 20 30 BHEDHN C=CCC(C)(C)CN[C@H]1CCCc2oc(C)nc21 ZINC000926481003 632116379 /nfs/dbraw/zinc/11/63/79/632116379.db2.gz GUHDVGLPICFMCV-LBPRGKRZSA-N 0 3 248.370 3.552 20 30 BHEDHN C=CCCCCCN[C@@H]1CCCc2oc(C)nc21 ZINC000926667082 645344132 /nfs/dbraw/zinc/34/41/32/645344132.db2.gz XRDGSIUNTVSDEQ-CYBMUJFWSA-N 0 3 248.370 3.696 20 30 BHEDHN C=CCCCCCN[C@H]1CCCc2oc(C)nc21 ZINC000926667087 645345812 /nfs/dbraw/zinc/34/58/12/645345812.db2.gz XRDGSIUNTVSDEQ-ZDUSSCGKSA-N 0 3 248.370 3.696 20 30 BHEDHN C=CCCN[C@H](CCC)c1ncccc1Cl ZINC000926682328 645352017 /nfs/dbraw/zinc/35/20/17/645352017.db2.gz BDCUPZUKPLJOND-GFCCVEGCSA-N 0 3 238.762 3.742 20 30 BHEDHN C=CCCN[C@@H](CCC)c1ncccc1Cl ZINC000926682329 645353667 /nfs/dbraw/zinc/35/36/67/645353667.db2.gz BDCUPZUKPLJOND-LBPRGKRZSA-N 0 3 238.762 3.742 20 30 BHEDHN C=CC(C)(C)CCN[C@@H]1CCCc2oc(C)nc21 ZINC000926744535 632941750 /nfs/dbraw/zinc/94/17/50/632941750.db2.gz CXHVRLOSJICDIV-GFCCVEGCSA-N 0 3 248.370 3.552 20 30 BHEDHN C=CC(C)(C)CCN[C@H]1CCCc2oc(C)nc21 ZINC000926744538 632941972 /nfs/dbraw/zinc/94/19/72/632941972.db2.gz CXHVRLOSJICDIV-LBPRGKRZSA-N 0 3 248.370 3.552 20 30 BHEDHN CN(CCCCC1(C#N)CCC1)Cc1ccco1 ZINC000929140307 636831779 /nfs/dbraw/zinc/83/17/79/636831779.db2.gz XNAPJGZZSBOCGW-UHFFFAOYSA-N 0 3 246.354 3.576 20 30 BHEDHN CN(CCCCC1(C#N)CCC1)Cc1ccoc1 ZINC000929328143 646083094 /nfs/dbraw/zinc/08/30/94/646083094.db2.gz OWUYGXGHXWBXLE-UHFFFAOYSA-N 0 3 246.354 3.576 20 30 BHEDHN CC(C)(C)CN(CCC#N)CCCC(C)(F)F ZINC000929691148 646246906 /nfs/dbraw/zinc/24/69/06/646246906.db2.gz DMSNQTBWKVRDRD-UHFFFAOYSA-N 0 3 246.345 3.684 20 30 BHEDHN CC(C)CCN(CCC#N)CCCC(C)(F)F ZINC000929782527 646292629 /nfs/dbraw/zinc/29/26/29/646292629.db2.gz ZVFZPDLGUOVOPF-UHFFFAOYSA-N 0 3 246.345 3.684 20 30 BHEDHN C=CC[C@@H]1CCCN([C@H](C)c2ccc(F)nc2)C1 ZINC000930963071 640001939 /nfs/dbraw/zinc/00/19/39/640001939.db2.gz RUWNSPSQUFOMFZ-CHWSQXEVSA-N 0 3 248.345 3.570 20 30 BHEDHN C=CC[C@H]1CCCN([C@H](C)c2ccc(F)nc2)C1 ZINC000930963072 640002532 /nfs/dbraw/zinc/00/25/32/640002532.db2.gz RUWNSPSQUFOMFZ-OLZOCXBDSA-N 0 3 248.345 3.570 20 30 BHEDHN C=CC[C@@H]1CCCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000930963073 640000958 /nfs/dbraw/zinc/00/09/58/640000958.db2.gz RUWNSPSQUFOMFZ-QWHCGFSZSA-N 0 3 248.345 3.570 20 30 BHEDHN C=CC[C@H]1CCCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000930963074 640001545 /nfs/dbraw/zinc/00/15/45/640001545.db2.gz RUWNSPSQUFOMFZ-STQMWFEESA-N 0 3 248.345 3.570 20 30 BHEDHN C=CC[C@@H]1CCN1Cc1cccc(C(F)F)c1 ZINC000934466070 641162048 /nfs/dbraw/zinc/16/20/48/641162048.db2.gz YFPVHMRLQGIXQO-CYBMUJFWSA-N 0 3 237.293 3.775 20 30 BHEDHN C=CC[C@H]1CCN1Cc1cccc(C(F)F)c1 ZINC000934466071 641160819 /nfs/dbraw/zinc/16/08/19/641160819.db2.gz YFPVHMRLQGIXQO-ZDUSSCGKSA-N 0 3 237.293 3.775 20 30 BHEDHN C=CCCCN(CC)Cc1nc(C)c(C)s1 ZINC000934646593 641225871 /nfs/dbraw/zinc/22/58/71/641225871.db2.gz IKSYPRDMXLJUKB-UHFFFAOYSA-N 0 3 238.400 3.548 20 30 BHEDHN C=CCCCN(CC)Cc1nc2ccccc2o1 ZINC000934649076 641234806 /nfs/dbraw/zinc/23/48/06/641234806.db2.gz JFSRLTUFLBDYEE-UHFFFAOYSA-N 0 3 244.338 3.616 20 30 BHEDHN